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Sample records for vibrational correlation functions

  1. Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, Californial 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-05-07

    Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.

  2. Role of correlations of lattice vibrations in channeling

    International Nuclear Information System (INIS)

    Barrett, J.H.; Jackson, D.P.

    1980-01-01

    Computer simulations of channeling have been done using correlated thermal displacements of the lattice atoms. For the channeling minimum yield and half angles, results are given as a function of temperature. For the surface yield, results are given as a function of angle from the axial direction to supplement earlier results as a function of temperature. In all quantities correlations cause effects qualitatively similar to a reduction in vibration amplitude, although the reduction varies from quantity to quantity. These variations are consistent with the idea that correlations will be most important for a trajectory aligned with the rows and of decreasing importance as the direction of a trajectory approaches a random direction. The largest effect occurs for the surface yield wherein there is a reduction of about 15% for the cases studied so far. (orig.)

  3. Teager Correlation Function

    DEFF Research Database (Denmark)

    Bysted, Tommy Kristensen; Hamila, R.; Gabbouj, M.

    1998-01-01

    A new correlation function called the Teager correlation function is introduced in this paper. The connection between this function, the Teager energy operator and the conventional correlation function is established. Two applications are presented. The first is the minimization of the Teager error...... norm and the second one is the use of the instantaneous Teager correlation function for simultaneous estimation of TDOA and FDOA (Time and Frequency Difference of Arrivals)....

  4. Reporting Recommended Patch Density from Vehicle Panel Vibration Convergence Studies using both DAF and TBL Fits of the Spatial Correlation Function

    Science.gov (United States)

    Smith, Andrew M.; Davis, Robert Ben; LaVerde, Bruce T.; Jones, Douglas C.; Band, Jonathon L.

    2012-01-01

    Using the patch method to represent the continuous spatial correlation function of a phased pressure field over a structural surface is an approximation. The approximation approaches the continuous function as patches become smaller. Plotting comparisons of the approximation vs the continuous function may provide insight revealing: (1) For what patch size/density should the approximation be very good? (2) What the approximation looks like when it begins to break down? (3) What the approximation looks like when the patch size is grossly too large. Following these observations with a convergence study using one FEM may allow us to see the importance of patch density. We may develop insights that help us to predict sufficient patch density to provide adequate convergence for the intended purpose frequency range of interest

  5. Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

    Science.gov (United States)

    Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

    2018-03-01

    Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

  6. Vibration of Elastic Functionally Graded Thick Rings

    Directory of Open Access Journals (Sweden)

    Guang-Hui Xu

    2017-01-01

    Full Text Available The free vibration behaviors of functionally graded rings were investigated theoretically. The material graded in the thickness direction according to the power law rule and the rings were assumed to be in plane stress and plane strain states. Based on the first-order shear deformation theory and the kinetic relation of von Kárman type, the frequency equation for free vibration of functionally graded ring was derived. The derived results were verified by those in literatures which reveals that the present theory can be appropriate to predict the free vibration characteristics for quite thick rings with the radius-to-thickness ratio from 60 down to 2.09. Comparison between the plane stress case and the plane strain case indicates a slight difference. Meanwhile, the effects of the structural dimensional parameters and the material inhomogeneous parameter are examined. It is interesting that the value of the logarithmic form of vibration frequency is inversely proportional to the logarithmic form of the radius-to-thickness ratio or the mean radius.

  7. 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...

  8. Data interpolation for vibration diagnostics using two-variable correlations

    International Nuclear Information System (INIS)

    Branagan, L.

    1991-01-01

    This paper reports that effective machinery vibration diagnostics require a clear differentiation between normal vibration changes caused by plant process conditions and those caused by degradation. The normal relationship between vibration and a process parameter can be quantified by developing the appropriate correlation. The differences in data acquisition requirements between dynamic signals (vibration spectra) and static signals (pressure, temperature, etc.) result in asynchronous data acquisition; the development of any correlation must then be based on some form of interpolated data. This interpolation can reproduce or distort the original measured quantity depending on the characteristics of the data and the interpolation technique. Relevant data characteristics, such as acquisition times, collection cycle times, compression method, storage rate, and the slew rate of the measured variable, are dependent both on the data handling and on the measured variable. Linear and staircase interpolation, along with the use of clustering and filtering, provide the necessary options to develop accurate correlations. The examples illustrate the appropriate application of these options

  9. Hexagonalization of correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Fleury, Thiago [Instituto de Física Teórica, UNESP - University Estadual Paulista,ICTP South American Institute for Fundamental Research,Rua Dr. Bento Teobaldo Ferraz 271, 01140-070, São Paulo, SP (Brazil); Komatsu, Shota [Perimeter Institute for Theoretical Physics,31 Caroline St N Waterloo, Ontario N2L 2Y5 (Canada)

    2017-01-30

    We propose a nonperturbative framework to study general correlation functions of single-trace operators in N=4 supersymmetric Yang-Mills theory at large N. The basic strategy is to decompose them into fundamental building blocks called the hexagon form factors, which were introduced earlier to study structure constants using integrability. The decomposition is akin to a triangulation of a Riemann surface, and we thus call it hexagonalization. We propose a set of rules to glue the hexagons together based on symmetry, which naturally incorporate the dependence on the conformal and the R-symmetry cross ratios. Our method is conceptually different from the conventional operator product expansion and automatically takes into account multi-trace operators exchanged in OPE channels. To illustrate the idea in simple set-ups, we compute four-point functions of BPS operators of arbitrary lengths and correlation functions of one Konishi operator and three short BPS operators, all at one loop. In all cases, the results are in perfect agreement with the perturbative data. We also suggest that our method can be a useful tool to study conformal integrals, and show it explicitly for the case of ladder integrals.

  10. Correlation of operating parameters on turbine shaft vibrations

    Science.gov (United States)

    Dixit, Harsh Kumar; Rajora, Rajeev

    2016-05-01

    The new generation of condition monitoring and diagnostics system plays an important role in efficient functioning of power plants. In most of the rotating machine, defects can be detected by such a system much before dangerous situation occurs. It allows the efficient use of stationary on-line continuous monitoring system for condition monitoring and diagnostics as well. Condition monitoring of turbine shaft can not only reduce expenses of maintenance of turbo generator of power plants but also prevents likely shutdown of plant, thereby increases plant load factor. Turbo visionary parameters are essential part of health diagnosis system of turbo generator. Particularly steam pressure, steam temperature and lube oil temperature are important parameters to monitor because they are having much influence on turbine shaft vibration and also governing systems are available for change values of those parameters. This paper includes influence of turbo visionary parameters i.e., steam temperature, steam pressure, lube oil temperature, turbine speed and load on turbine shaft vibration at turbo generator at 195 MW unit-6,Kota Super Thermal Power Station by measuring vibration amplitude and analyze them in MATLAB.

  11. Correlation of finite element free vibration predictions using random vibration test data. M.S. Thesis - Cleveland State Univ.

    Science.gov (United States)

    Chambers, Jeffrey A.

    1994-01-01

    Finite element analysis is regularly used during the engineering cycle of mechanical systems to predict the response to static, thermal, and dynamic loads. The finite element model (FEM) used to represent the system is often correlated with physical test results to determine the validity of analytical results provided. Results from dynamic testing provide one means for performing this correlation. One of the most common methods of measuring accuracy is by classical modal testing, whereby vibratory mode shapes are compared to mode shapes provided by finite element analysis. The degree of correlation between the test and analytical mode shapes can be shown mathematically using the cross orthogonality check. A great deal of time and effort can be exhausted in generating the set of test acquired mode shapes needed for the cross orthogonality check. In most situations response data from vibration tests are digitally processed to generate the mode shapes from a combination of modal parameters, forcing functions, and recorded response data. An alternate method is proposed in which the same correlation of analytical and test acquired mode shapes can be achieved without conducting the modal survey. Instead a procedure is detailed in which a minimum of test information, specifically the acceleration response data from a random vibration test, is used to generate a set of equivalent local accelerations to be applied to the reduced analytical model at discrete points corresponding to the test measurement locations. The static solution of the analytical model then produces a set of deformations that once normalized can be used to represent the test acquired mode shapes in the cross orthogonality relation. The method proposed has been shown to provide accurate results for both a simple analytical model as well as a complex space flight structure.

  12. A Method for Vibration-Based Structural Interrogation and Health Monitoring Based on Signal Cross-Correlation

    International Nuclear Information System (INIS)

    Trendafilova, I

    2011-01-01

    Vibration-based structural interrogation and health monitoring is a field which is concerned with the estimation of the current state of a structure or a component from its vibration response with regards to its ability to perform its intended function appropriately. One way to approach this problem is through damage features extracted from the measured structural vibration response. This paper suggests to use a new concept for the purposes of vibration-based health monitoring. The correlation between two signals, an input and an output, measured on the structure is used to develop a damage indicator. The paper investigates the applicability of the signal cross-correlation and a nonlinear alternative, the average mutual information between the two signals, for the purposes of structural health monitoring and damage assessment. The suggested methodology is applied and demonstrated for delamination detection in a composite beam.

  13. Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

    Science.gov (United States)

    Tao, Yunwen; Zou, Wenli; Cremer, Dieter; Kraka, Elfi

    2018-03-05

    Using catastrophe theory and the concept of a mutation path, an algorithm is developed that leads to the direct correlation of the normal vibrational modes of two structurally related molecules. The mutation path is defined by weighted incremental changes in mass and geometry of the molecules in question, which are successively applied to mutate a molecule into a structurally related molecule and thus continuously converting their normal vibrational spectra from one into the other. Correlation diagrams are generated that accurately relate the normal vibrational modes to each other by utilizing mode-mode overlap criteria and resolving allowed and avoided crossings of vibrational eigenstates. The limitations of normal mode correlation, however, foster the correlation of local vibrational modes, which offer a novel vibrational measure of similarity. It will be shown how this will open new avenues for chemical studies. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  14. 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.

  15. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

  16. Vibration Suppression of Electronic Box by a Dual Function Piezoelectric Energy Harvester-Tuned Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Sajid Rafique

    2014-04-01

    Full Text Available Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber. It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of 'electromechanical' TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel "electromechanical" TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry

  17. Vibration suppression of electronic box by a dual function piezoelectric energy harvester-tuned vibration absorber

    International Nuclear Information System (INIS)

    Rafique, S.; Shah, S.

    2014-01-01

    Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber). It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of electromechanical TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel electromechanical TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry. (author)

  18. Nuclear correlations and structure functions

    International Nuclear Information System (INIS)

    Hu Guoju; Irvine, J.M.

    1989-01-01

    It is argued that the search for a mass number dependence of the nuclear structure function per nucleon is profitably directed to the region of Bjorken scaling variable x > 1. We show that in the convolution model of the nuclear structure function the nuclear momentum distribution and energy spectrum generated by cluster expansion techniques, here realised in the correlated basis function method, invoking tensor correlations and short-range density-dependent repulsions adequately describes the structure function for 12 C in the region x > 1. The results of structure functions for a number of light-, medium- and heavy-mass nuclei are presented. (author)

  19. Sampled control of vibration in suspended cask by using vibration manipulation functions

    International Nuclear Information System (INIS)

    Kotake, Shigeo

    2014-01-01

    Safe and reliable operation is most important for decommissioning the Fukushima 1 nuclear power plant. Especially it requires for transferring spent nuclear fuels from fuel pool to storage cask. Since the heavy cask will be suspended during the transferring operation, there is a risk of dropping it in case of the strike of large earthquakes. In this study, we introduce analytical functions to suppress residual vibration of a suspended cask by using vibration manipulation function. Hence the oscillation of the cask can be feedforward or sampled-data controlled by moving a trolley with analog actuator, the possible risk could be reduced. (author)

  20. A Summary Review of Correlations between Temperatures and Vibration Properties of Long-Span Bridges

    Directory of Open Access Journals (Sweden)

    Guang-Dong Zhou

    2014-01-01

    Full Text Available The shift of modal parameters induced by temperature fluctuation may mask the changes of vibration properties caused by structural damage and result in false structural condition identification. Thoroughly understanding the temperature effects on vibration properties of long-span bridges becomes an especially important issue before vibration-based damage detection methodologies are applied in real bridges. This paper presents an overview of current research activities and developments in the field of correlations between temperatures and vibration properties of long-span bridges. The theoretical derivation methods using classical structural dynamics and closed-form formulations are first briefly introduced. Then the trend analysis methods that are intended to extract the degree of variability in vibration property under temperature variation for different bridges by numerical analysis, laboratory test, or field monitoring are reviewed in detail. Following that, the development of quantitative models to quantify the temperature influence on vibration properties is discussed including the linear model, nonlinear model, and learning model. Finally, some promising research efforts for promoting the study of correlations between temperatures and vibration properties of long-span bridges are suggested.

  1. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-01-01

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed

  2. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Hiroaki; Sul, Soohwan [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States); Ge, Nien-Hui, E-mail: nhge@uci.edu [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States)

    2013-08-30

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  3. Correlation functions of warped CFT

    Science.gov (United States)

    Song, Wei; Xu, Jianfei

    2018-04-01

    Warped conformal field theory (WCFT) is a two dimensional quantum field theory whose local symmetry algebra consists of a Virasoro algebra and a U(1) Kac-Moody algebra. In this paper, we study correlation functions for primary operators in WCFT. Similar to conformal symmetry, warped conformal symmetry is very constraining. The form of the two and three point functions are determined by the global warped conformal symmetry while the four point functions can be determined up to an arbitrary function of the cross ratio. The warped conformal bootstrap equation are constructed by formulating the notion of crossing symmetry. In the large central charge limit, four point functions can be decomposed into global warped conformal blocks, which can be solved exactly. Furthermore, we revisit the scattering problem in warped AdS spacetime (WAdS), and give a prescription on how to match the bulk result to a WCFT retarded Green's function. Our result is consistent with the conjectured holographic dualities between WCFT and WAdS.

  4. Investigation of the correlation between noise and vibration characteristics and unsteady flow in a circulator pump

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Denghao; Ren, Yun; Mou, Jiegang; Gu, Yunqing [Zhejiang University of Technology, Hangzhou (China)

    2017-05-15

    Circulator pumps have wide engineering applications but the acoustics, vibration and unsteady flow structures of the circulator pump are still not fully understood. We investigated the noise and vibration characteristics and unsteady flow structures in a circulator pump at different flow rates. Three-dimensional, unsteady RANS equations were solved on high-quality structured meshes with SST k-ω turbulence model numerically. Measurements were made in a semi-anechoic chamber to get an overview of noise and vibration level of a pump at different flow rates. The 1/3 octave-band filter technique was applied to obtain the explicit frequency spectra of sound, pressure fluctuations and vibration signals and their principal frequencies were identified successfully. The air-borne noise level of the designed condition is lower than that of the off-design conditions, and the highest sound pressure level is found at part-load condition. The acoustic emission from the pump is mainly caused by unsteady flow structures and pressure fluctuations. In addition, both the link between air- borne noise and pressure fluctuation, and the correlation between vibration and unsteady hydrodynamic forces, were quantitatively examined and verified. This work offers good data to understand noise and vibration characteristics of circulator pumps and the relationships among the noise, vibration and unsteady flow structures.

  5. Estimation of Correlation Functions by Random Decrement

    DEFF Research Database (Denmark)

    Asmussen, J. C.; Brincker, Rune

    This paper illustrates how correlation functions can be estimated by the random decrement technique. Several different formulations of the random decrement technique, estimating the correlation functions are considered. The speed and accuracy of the different formulations of the random decrement...... and the length of the correlation functions. The accuracy of the estimates with respect to the theoretical correlation functions and the modal parameters are both investigated. The modal parameters are extracted from the correlation functions using the polyreference time domain technique....

  6. Correlation analysis of motor current and chatter vibration in grinding using complex continuous wavelet coherence

    International Nuclear Information System (INIS)

    Liu, Yao; Wang, Xiufeng; Lin, Jing; Zhao, Wei

    2016-01-01

    Motor current is an emerging and popular signal which can be used to detect machining chatter with its multiple advantages. To achieve accurate and reliable chatter detection using motor current, it is important to make clear the quantitative relationship between motor current and chatter vibration, which has not yet been studied clearly. In this study, complex continuous wavelet coherence, including cross wavelet transform and wavelet coherence, is applied to the correlation analysis of motor current and chatter vibration in grinding. Experimental results show that complex continuous wavelet coherence performs very well in demonstrating and quantifying the intense correlation between these two signals in frequency, amplitude and phase. When chatter occurs, clear correlations in frequency and amplitude in the chatter frequency band appear and the phase difference of current signal to vibration signal turns from random to stable. The phase lead of the most correlated chatter frequency is the largest. With the further development of chatter, the correlation grows up in intensity and expands to higher order chatter frequency band. The analyzing results confirm that there is a consistent correlation between motor current and vibration signals in the grinding chatter process. However, to achieve accurate and reliable chatter detection using motor current, the frequency response bandwidth of current loop of the feed drive system must be wide enough to response chatter effectively. (paper)

  7. Relaxation of the vibrational distribution function in N2 time varying discharges

    International Nuclear Information System (INIS)

    Capitelli, M.; Gorse, C.; Ricard, A.

    1981-01-01

    Relaxation of the electron and vibrational distribution functions have been calculated in function of residence time in nitrogen electrical discharges and post-discharges. In the discharge the vibrational temperature get bigger with the residence time for t -2 s. In the post-discharge the vibrational distribution is evolving in such a manner that the high levels are overpopulated as the low vibrational level population is dropping

  8. Vibrational Spectroscopic Studies of Tenofovir Using Density Functional Theory Method

    Directory of Open Access Journals (Sweden)

    G. R. Ramkumaar

    2013-01-01

    Full Text Available A systematic vibrational spectroscopic assignment and analysis of tenofovir has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis was aided by electronic structure calculations—hybrid density functional methods (B3LYP/6-311++G(d,p, B3LYP/6-31G(d,p, and B3PW91/6-31G(d,p. Molecular equilibrium geometries, electronic energies, IR intensities, and harmonic vibrational frequencies have been computed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties such as HOMO and LUMO energies and were determined by time-dependent DFT (TD-DFT method. The geometrical, thermodynamical parameters, and absorption wavelengths were compared with the experimental data. The B3LYP/6-311++G(d,p-, B3LYP/6-31G(d,p-, and B3PW91/6-31G(d,p-based NMR calculation procedure was also done. It was used to assign the 13C and 1H NMR chemical shift of tenofovir.

  9. Functional Multiple-Set Canonical Correlation Analysis

    Science.gov (United States)

    Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.

    2012-01-01

    We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…

  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. Using correlation functions as free decays

    DEFF Research Database (Denmark)

    Brincker, Rune; Amador, Sandro; Juul, Martin

    It is a general assumption in OMA that correlation functions are free decays. In multiple input OMA this assumption also implies that any column in the correlation function matrix is to be considered as multiple output free decays. This assumption is discussed in this paper together with issues...... concerning estimation and application of correlations functions in OMA....

  12. Neuropathic Pain-like Alterations in Muscle Nociceptor Function Associated with Vibration-induced Muscle Pain

    OpenAIRE

    Chen, Xiaojie; Green, Paul G.; Levine, Jon D.

    2010-01-01

    We recently developed a rodent model of the painful muscle disorders induced by occupational exposure to vibration. In the present study we used this model to evaluate the function of sensory neurons innervating the vibration-exposed gastrocnemius muscle. Activity of 74 vibration-exposed and 40 control nociceptors, with mechanical receptive fields in the gastrocnemius muscle, were recorded. In vibration-exposed rats ~15% of nociceptors demonstrated an intense and long-lasting barrage of actio...

  13. Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

    Science.gov (United States)

    Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

    2012-08-16

    The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

  14. Analysis of carboxylate coordination function of the isomeric lanthanide pyridinedicarboxylates by means of vibration spectroscopy

    International Nuclear Information System (INIS)

    Puntus, L.; Zolin, V.; Kudryashova, V.

    2004-01-01

    The investigation of IR spectra of salts of six isomers of pyridinedicarboxylic acid (PDA): 2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-pyridinedicarboxylic acids, have demonstrated that properties of these salts are dependent on the bonding manner of carboxylate groups and on coordination of heterocyclic nitrogen atom. The most prominent differences in properties and spectra of 2,6- and 3,4-PDA salts are conditioned correspondingly by monodentate and bidentate coordination functions of the carboxylate groups in these compounds. The correlation of the breathing vibration frequency, reflecting the rigidity of the heterocyclic ring, with position of the carboxylate substituents, conditioning intramolecular charge transfer (CT), was postulated and proved by shifts of the breathing vibration frequency dependent on the structure of isomeric ligand

  15. Correlation between vibration amplitude and tool wear in turning: Numerical and experimental analysis

    Directory of Open Access Journals (Sweden)

    Balla Srinivasa Prasad

    2017-02-01

    Full Text Available In this paper, a correlation between vibration amplitude and tool wear when in dry turning of AISI 4140 steel using uncoated carbide insert DNMA 432 is analyzed via experiments and finite element simulations. 3D Finite element simulations results are utilized to predict the evolution of cutting forces, vibration displacement amplitudes and tool wear in vibration induced turning. In the present paper, the primary concern is to find the relative vibration and tool wear with the variation of process parameters. These changes lead to accelerated tool wear and even breakage. The cutting forces in the feed direction are also predicted and compared with the experimental trends. A laser Doppler vibrometer is used to detect vibration amplitudes and the usage of Kistler 9272 dynamometer for recording the cutting forces during the cutting process is well demonstrated. A sincere effort is put to investigate the influence of spindle speed, feed rate, depth of cut on vibration amplitude and tool flank wear at different levels of workpiece hardness. Empirical models have been developed using second order polynomial equations for correlating the interaction and higher order influences of various process parameters. Analysis of variance (ANOVA is carried out to identify the significant factors that are affecting the vibration amplitude and tool flank wear. Response surface methodology (RSM is implemented to investigate the progression of flank wear and displacement amplitude based on experimental data. While measuring the displacement amplitude, R-square values for experimental and numerical methods are 98.6 and 97.8. Based on the R-square values of ANOVA it is found that the numerical values show good agreement with the experimental values and are helpful in estimating displacement amplitude. In the case of predicting the tool wear, R-square values were found to be 97.69 and 96.08, respectively for numerical and experimental measures while determining the tool

  16. Vibrational frequency scaling factors for correlation consistent basis sets and the methods CC2 and MP2 and their spin-scaled SCS and SOS variants

    Energy Technology Data Exchange (ETDEWEB)

    Friese, Daniel H., E-mail: daniel.h.friese@uit.no [Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Tromsø, N-9037 Tromsø (Norway); Törk, Lisa; Hättig, Christof, E-mail: christof.haettig@rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44801 Bochum (Germany)

    2014-11-21

    We present scaling factors for vibrational frequencies calculated within the harmonic approximation and the correlated wave-function methods coupled cluster singles and doubles model (CC2) and Møller-Plesset perturbation theory (MP2) with and without a spin-component scaling (SCS or spin-opposite scaling (SOS)). Frequency scaling factors and the remaining deviations from the reference data are evaluated for several non-augmented basis sets of the cc-pVXZ family of generally contracted correlation-consistent basis sets as well as for the segmented contracted TZVPP basis. We find that the SCS and SOS variants of CC2 and MP2 lead to a slightly better accuracy for the scaled vibrational frequencies. The determined frequency scaling factors can also be used for vibrational frequencies calculated for excited states through response theory with CC2 and the algebraic diagrammatic construction through second order and their spin-component scaled variants.

  17. Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

    Science.gov (United States)

    Priya, Y. Sushma; Rao, K. Ramachandra; Chalapathi, P. V.; Satyavani, M.; Veeraiah, A.

    2017-09-01

    The vibrational and electronic properties of 2-coumaranone have been reported in the ground state using experimental techniques (FT-IR, FT-Raman, UV spectra and fluorescence microscopic imaging) and density functional theory (DFT) employing B3LYP correlation with the 6-31G(d, p) basis set. The theoretically reported optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yielded good concurrence between the experimental and calculated values. The assignments of the vibrational spectra were done with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field(SQMFF) methodology. The whole assignments of fundamental modes were based on the potential energy distribution (PED) matrix. The electric dipole moment and the first order hyperpolarizability of the 2-coumaranone have been computed using quantum mechanical calculations. NBO and HOMO, LUMO analyses have been carried out. UV spectrum of 2-coumaranone was recorded in the region 100-300 nm and compared with the theoretical UV spectrum using TD-DFT and SAC-CI methods by which a good agreement is observed. Fluorescence microscopic imaging study reflects that the compound fluoresces in the green-yellow region.

  18. Measurement of correlations between low-frequency vibrational modes and particle rearrangements in quasi-two-dimensional colloidal glasses

    NARCIS (Netherlands)

    Chen, K.; Manning, M.L.; Yunker, P.J.; Ellenbroek, W.G.; Zhang, Zexin; Liu, Andrea J.; Yodh, A.G.

    2011-01-01

    We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance

  19. Correlation analysis for forced vibration test of the Hualien large scale seismic test (LSST) program

    International Nuclear Information System (INIS)

    Sugawara, Y.; Sugiyama, T.; Kobayashi, T.; Yamaya, H.; Kitamura, E.

    1995-01-01

    The correlation analysis for a forced vibration test of a 1/4-scale containment SSI test model constructed in Hualien, Taiwan was carried out for the case of after backfilling. Prior to this correlation analysis, the structural properties were revised to adjust the calculated fundamental frequency in the fixed base condition to that derived from the test results. A correlation analysis was carried out using the Lattice Model which was able to estimate the soil-structure effects with embedment. The analysis results coincide well with test results and it is concluded that the mathematical soil-structure interaction model established by the correlation analysis is efficient in estimating the dynamic soil-structure interaction effect with embedment. This mathematical model will be applied as a basic model for simulation analysis of earthquake observation records. (author). 3 refs., 12 figs., 2 tabs

  20. The effect of track load correlation on ground-borne vibration from railways

    Science.gov (United States)

    Ntotsios, Evangelos; Thompson, David; Hussein, Mohammed

    2017-08-01

    In predictions of ground-borne vibration from railways, it is generally assumed that the unevenness profile of the wheel and rail is fully correlated between the two rails and the two wheels of an axle. This leads to identical contact forces at the two rails and can allow further simplifications of the vehicle model, the track model and the track/ground interface conditions. In the present paper, the level of correlation of the track loading at the wheel/rail interface due to rail unevenness and its influence on predictions of ground vibration is investigated. The extent to which the unevenness of the two rails is correlated has been estimated from measurements of track geometry obtained with track recording vehicles for four different tracks. It was found that for wavelengths longer than about 3 m the unevenness of the two rails can be considered to be strongly correlated and in phase. To investigate the effect of this on ground vibration, an existing model expressed in the wavenumber-frequency domain is extended to include separate inputs on the two rails. The track is modelled as an infinite invariant linear structure resting on an elastic stratified half-space. This is excited by the gravitational loading of a passing train and the irregularity of the contact surfaces between the wheels and the rails. The railway model is developed in this work to be versatile so that it can account or discard the effect of load correlations on the two rails beside the effects of variation of the tractions across the width of the track-ground interface and the vehicle sprung mass, as well as the roll motion of the sleepers and the axle. A comparative analysis is carried out on the influence of these factors on the response predictions using numerical simulations. It is shown that, when determining the vibration in the free field, it is important to include in the model the traction variation across the track-ground interface and the non-symmetrical loading at the two rails that

  1. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Science.gov (United States)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-08-01

    We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  2. Algebraic relaxation of a time correlation function

    International Nuclear Information System (INIS)

    Srivastava, S.; Kumar, C.N.; Tankeshwar, K.

    2004-06-01

    A second order non-linear differential equation obtained from Mori's integro- differential equation is shown to transform to another form which provides algebraic decay to a time correlation function. Involved parameters in algebraic formula are related to exact properties of the corresponding correlation function. The model has been used to study a sol-gel system which is known, experimentally, to exhibit a power law decay to stress auto-correlation function. The expression obtained for the viscosity shows a logarithmic divergence at some critical value of the parameter. Some features of the model have also been tested using available information about Lennard-Jones fluids. (author)

  3. 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.

  4. Generalized hydrodynamic correlations and fractional memory functions

    Science.gov (United States)

    Rodríguez, Rosalio F.; Fujioka, Jorge

    2015-12-01

    A fractional generalized hydrodynamic (GH) model of the longitudinal velocity fluctuations correlation, and its associated memory function, for a complex fluid is analyzed. The adiabatic elimination of fast variables introduces memory effects in the transport equations, and the dynamic of the fluctuations is described by a generalized Langevin equation with long-range noise correlations. These features motivate the introduction of Caputo time fractional derivatives and allows us to calculate analytic expressions for the fractional longitudinal velocity correlation function and its associated memory function. Our analysis eliminates a spurious constant term in the non-fractional memory function found in the non-fractional description. It also produces a significantly slower power-law decay of the memory function in the GH regime that reduces to the well-known exponential decay in the non-fractional Navier-Stokes limit.

  5. Vibration Prediction Method of Electric Machines by using Experimental Transfer Function and Magnetostatic Finite Element Analysis

    International Nuclear Information System (INIS)

    Saito, A; Kuroishi, M; Nakai, H

    2016-01-01

    This paper concerns the noise and structural vibration caused by rotating electric machines. Special attention is given to the magnetic-force induced vibration response of interior-permanent magnet machines. In general, to accurately predict and control the vibration response caused by the electric machines, it is inevitable to model not only the magnetic force induced by the fluctuation of magnetic fields, but also the structural dynamic characteristics of the electric machines and surrounding structural components. However, due to complicated boundary conditions and material properties of the components, such as laminated magnetic cores and varnished windings, it has been a challenge to compute accurate vibration response caused by the electric machines even after their physical models are available. In this paper, we propose a highly-accurate vibration prediction method that couples experimentally-obtained discrete structural transfer functions and numerically-obtained distributed magnetic-forces. The proposed vibration synthesis methodology has been applied to predict vibration responses of an interior permanent magnet machine. The results show that the predicted vibration response of the electric machine agrees very well with the measured vibration response for several load conditions, for wide frequency ranges. (paper)

  6. Combined IR-Raman vs vibrational sum-frequency heterospectral correlation spectroscopy

    Science.gov (United States)

    Roy, Sandra; Beutier, Clémentine; Hore, Dennis K.

    2018-06-01

    Vibrational sum-frequency generation spectroscopy is a valuable probe of surface structure, particularly when the same molecules are present in one of the adjacent bulk solid or solution phases. As a result of the non-centrosymmetric requirement of SFG, the signal generated is a marker of the extent to which the molecules are ordered in an arrangement that breaks the up-down symmetry at the surface. In cases where the accompanying changes in the bulk are of interest in understanding and interpreting the surface structure, simultaneous analysis of the bulk IR absorption or bulk Raman scattering is helpful, and may be used in heterospectral surface-bulk two-dimensional correlation. We demonstrate that, in such cases, generating a new type of bulk spectrum that combines the IR and Raman amplitudes is a better candidate than the individual IR and Raman spectra for the purpose of correlation with the SFG signal.

  7. Neuropathic pain-like alterations in muscle nociceptor function associated with vibration-induced muscle pain.

    Science.gov (United States)

    Chen, Xiaojie; Green, Paul G; Levine, Jon D

    2010-11-01

    We recently developed a rodent model of the painful muscle disorders induced by occupational exposure to vibration. In the present study we used this model to evaluate the function of sensory neurons innervating the vibration-exposed gastrocnemius muscle. Activity of 74 vibration-exposed and 40 control nociceptors, with mechanical receptive fields in the gastrocnemius muscle, were recorded. In vibration-exposed rats ∼15% of nociceptors demonstrated an intense and long-lasting barrage of action potentials in response to sustained suprathreshold mechanical stimulation (average of 2635 action potentials with frequency of ∼44Hz during a 1min suprathreshold stimulus) much greater than that has been reported to be produced even by potent inflammatory mediators. While these high-firing nociceptors had lower mechanical thresholds than the remaining nociceptors, exposure to vibration had no effect on conduction velocity and did not induce spontaneous activity. Hyperactivity was not observed in any of 19 neurons from vibration-exposed rats pretreated with intrathecal antisense for the IL-6 receptor subunit gp130. Since vibration can injure peripheral nerves and IL-6 has been implicated in painful peripheral neuropathies, we suggest that the dramatic change in sensory neuron function and development of muscles pain, induced by exposure to vibration, reflects a neuropathic muscle pain syndrome. Copyright © 2010 International Association for the Study of Pain. Published by Elsevier B.V. All rights reserved.

  8. Whole-body vibration exercise improves functional parameters in ...

    African Journals Online (AJOL)

    Background: Patients with osteogenesis imperfecta (OI) have abnormal bone modelling and resorption. The bone tissue adaptation and responsivity to dynamic and mechanical loading may be of therapeutic use under controlled circumstances. Improvements due to the wholebody vibration (WBV) exercises have been ...

  9. Density functional theory study of vibrational spectra, and ...

    Indian Academy of Sciences (India)

    The FTIR and FT Raman spectra of dacarbazine were recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The optimized geometry, wavenumber, polarizability and several thermodynamic properties of dacarbazine were studied using ab initio Hartree-Fock, MP2 and DFT methods. A complete vibrational ...

  10. Correlation functions of two-matrix models

    International Nuclear Information System (INIS)

    Bonora, L.; Xiong, C.S.

    1993-11-01

    We show how to calculate correlation functions of two matrix models without any approximation technique (except for genus expansion). In particular we do not use any continuum limit technique. This allows us to find many solutions which are invisible to the latter technique. To reach our goal we make full use of the integrable hierarchies and their reductions which were shown in previous papers to naturally appear in multi-matrix models. The second ingredient we use, even though to a lesser extent, are the W-constraints. In fact an explicit solution of the relevant hierarchy, satisfying the W-constraints (string equation), underlies the explicit calculation of the correlation functions. The correlation functions we compute lend themselves to a possible interpretation in terms of topological field theories. (orig.)

  11. Correlation function of the luminosity distances

    Energy Technology Data Exchange (ETDEWEB)

    Biern, Sang Gyu; Yoo, Jaiyul, E-mail: sgbiern@physik.uzh.ch, E-mail: jyoo@physik.uzh.ch [Center for Theoretical Astrophysics and Cosmology, Institute for Computational Science, University of Zürich, Winterthurerstrasse 190, CH-8057, Zürich (Switzerland)

    2017-09-01

    We present the correlation function of the luminosity distances in a flat ΛCDM universe. Decomposing the luminosity distance fluctuation into the velocity, the gravitational potential, and the lensing contributions in linear perturbation theory, we study their individual contributions to the correlation function. The lensing contribution is important at large redshift ( z ∼> 0.5) but only for small angular separation (θ ∼< 3°), while the velocity contribution dominates over the other contributions at low redshift or at larger separation. However, the gravitational potential contribution is always subdominant at all scale, if the correct gauge-invariant expression is used. The correlation function of the luminosity distances depends significantly on the matter content, especially for the lensing contribution, thus providing a novel tool of estimating cosmological parameters.

  12. Correlation functions of Coulomb branch operators

    Energy Technology Data Exchange (ETDEWEB)

    Gerchkovitz, Efrat [Weizmann Institute of Science,Rehovot 76100 (Israel); Gomis, Jaume [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Ishtiaque, Nafiz [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Department of Physics, University of Waterloo,Waterloo, ON N2L 3G1 (Canada); Karasik, Avner; Komargodski, Zohar [Weizmann Institute of Science,Rehovot 76100 (Israel); Pufu, Silviu S. [Joseph Henry Laboratories, Princeton University,Princeton, NJ 08544 (United States)

    2017-01-24

    We consider the correlation functions of Coulomb branch operators in four-dimensional N=2 Superconformal Field Theories (SCFTs) involving exactly one anti-chiral operator. These extremal correlators are the “minimal' non-holomorphic local observables in the theory. We show that they can be expressed in terms of certain determinants of derivatives of the four-sphere partition function of an appropriate deformation of the SCFT. This relation between the extremal correlators and the deformed four-sphere partition function is non-trivial due to the presence of conformal anomalies, which lead to operator mixing on the sphere. Evaluating the deformed four-sphere partition function using supersymmetric localization, we compute the extremal correlators explicitly in many interesting examples. Additionally, the representation of the extremal correlators mentioned above leads to a system of integrable differential equations. We compare our exact results with previous perturbative computations and with the four-dimensional tt{sup ∗} equations. We also use our results to study some of the asymptotic properties of the perturbative series expansions we obtain in N=2 SQCD.

  13. Locality of correlation in density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Burke, Kieron [Department of Chemistry, University of California, Irvine, California 92697 (United States); Cancio, Antonio [Department of Physics and Astronomy, Ball State University, Muncie, Indiana 47306 (United States); Gould, Tim [Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111 (Australia); Pittalis, Stefano [CNR-Istituto di Nanoscienze, Via Campi 213A, I-41125 Modena (Italy)

    2016-08-07

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that E{sub C} → −A{sub C} ZlnZ + B{sub C}Z as Z → ∞, where Z is the atomic number, A{sub C} is known, and we estimate B{sub C} to be about 37 mhartree. The local density approximation yields A{sub C} exactly, but a very incorrect value for B{sub C}, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with B{sub C} a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  14. The statistics of galaxies: beyond correlation functions

    International Nuclear Information System (INIS)

    Lachieze-Rey, M.

    1988-01-01

    I mention some normalization problems encountered when estimating the 2-point correlation functions in samples of galaxies of different average densities. I present some aspects of the void probability function as a statistical indicator, free of such normalization problems. Finally I suggest a new statistical approach to give an account in a synthetic way of those aspects of the galaxy distribution that a conventional method is unable to characterize

  15. Non-Parametric Estimation of Correlation Functions

    DEFF Research Database (Denmark)

    Brincker, Rune; Rytter, Anders; Krenk, Steen

    In this paper three methods of non-parametric correlation function estimation are reviewed and evaluated: the direct method, estimation by the Fast Fourier Transform and finally estimation by the Random Decrement technique. The basic ideas of the techniques are reviewed, sources of bias are point...

  16. Integral equations of hadronic correlation functions a functional- bootstrap approach

    CERN Document Server

    Manesis, E K

    1974-01-01

    A reasonable 'microscopic' foundation of the Feynman hadron-liquid analogy is offered, based on a class of models for hadron production. In an external field formalism, the equivalence (complementarity) of the exclusive and inclusive descriptions of hadronic reactions is specifically expressed in a functional-bootstrap form, and integral equations between inclusive and exclusive correlation functions are derived. Using the latest CERN-ISR data on the two-pion inclusive correlation function, and assuming rapidity translational invariance for the exclusive one, the simplest integral equation is solved in the 'central region' and an exclusive correlation length in rapidity predicted. An explanation is also offered for the unexpected similarity observed between pi /sup +/ pi /sup -/ and pi /sup -/ pi /sup -/ inclusive correlations. (31 refs).

  17. A pair density functional theory utilizing the correlated wave function

    International Nuclear Information System (INIS)

    Higuchi, M; Higuchi, K

    2009-01-01

    We propose a practical scheme for calculating the ground-state pair density (PD) by utilizing the correlated wave function. As the correlated wave function, we adopt a linear combination of the single Slater determinants that are constructed from the solutions of the initial scheme [Higuchi M and Higuchi K 2007 Physica B 387, 117]. The single-particle equation is derived by performing the variational principle within the set of PDs that are constructed from such correlated wave functions. Since the search region of the PD is substantially extended as compared with the initial scheme, it is expected that the present scheme can cover more correlation effects. The single-particle equation is practical, and may be easily applied to actual calculations.

  18. Non-perturbative QCD correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Cyrol, Anton Konrad

    2017-11-27

    Functional methods provide access to the non-perturbative regime of quantum chromo- dynamics. Hence, they allow investigating confinement and chiral symmetry breaking. In this dissertation, correlation functions of Yang-Mills theory and unquenched two-flavor QCD are computed from the functional renormalization group. Employing a self-consistent vertex expansion of the effective action, Yang-Mills correlation functions are obtained in four as well as in three spacetime dimensions. To this end, confinement and Slavnov-Taylor identities are discussed. Our numerical results show very good agreement with corresponding lattice results. Next, unquenched two-flavor QCD is considered where it is shown that the unquenched two-flavor gluon propagator is insensitive to the pion mass. Furthermore, the necessity for consistent truncations is emphasized. Finally, correlation functions of finite-temperature Yang-Mills theory are computed in a truncation that includes the splitting of the gluon field into directions that are transverse and longitudinal to the heat bath. In particular, it includes the splitting of the three- and four-gluon vertices. The obtained gluon propagator allows to extract a Debye screening mass that coincides with the hard thermal loop screening mass at high temperatures, but is meaningful also at temperatures below the phase transition temperature.

  19. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on Lornoxicam by density functional theory

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-11-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.

  20. Seismic reflection response from cross-correlations of ambient vibrations on non-conventional hidrocarbon reservoir

    Science.gov (United States)

    Huerta, F. V.; Granados, I.; Aguirre, J.; Carrera, R. Á.

    2017-12-01

    Nowadays, in hydrocarbon industry, there is a need to optimize and reduce exploration costs in the different types of reservoirs, motivating the community specialized in the search and development of alternative exploration geophysical methods. This study show the reflection response obtained from a shale gas / oil deposit through the method of seismic interferometry of ambient vibrations in combination with Wavelet analysis and conventional seismic reflection techniques (CMP & NMO). The method is to generate seismic responses from virtual sources through the process of cross-correlation of records of Ambient Seismic Vibrations (ASV), collected in different receivers. The seismic response obtained is interpreted as the response that would be measured in one of the receivers considering a virtual source in the other. The acquisition of ASV records was performed in northern of Mexico through semi-rectangular arrays of multi-component geophones with instrumental response of 10 Hz. The in-line distance between geophones was 40 m while in cross-line was 280 m, the sampling used during the data collection was 2 ms and the total duration of the records was 6 hours. The results show the reflection response of two lines in the in-line direction and two in the cross-line direction for which the continuity of coherent events have been identified and interpreted as reflectors. There is certainty that the events identified correspond to reflections because the time-frequency analysis performed with the Wavelet Transform has allowed to identify the frequency band in which there are body waves. On the other hand, the CMP and NMO techniques have allowed to emphasize and correct the reflection response obtained during the correlation processes in the frequency band of interest. The results of the processing and analysis of ASV records through the seismic interferometry method have allowed us to see interesting results in light of the cross-correlation process in combination with

  1. ASSESSMENT OF THE GENERAL PSYCHOLOGICAL AND FUNCTIONAL CHARACTERISTICS CAUSED BY VIBRATIONS AT DRIVERS OF HEAVY MOTOR VEHICLES

    Directory of Open Access Journals (Sweden)

    Sanela Čajlaković Kurtalić

    2014-09-01

    Full Text Available In this paper we presented a research that estimates general psychological and functional characteristics of motor vehicle drivers, with the goal of determining the adverse effects of noise and vibration on the drivers. The study was conducted on a sample of 56 participants, professional drivers of motor vehicles, randomly chosen from companies of various types operating in transport of passengers and goods. For the evaluation of the results,we used descriptive and correlational analysis. The results showed that there were significant negative side effects caused by the nature of work of drivers, especially those under the influence of noise and vibration, which are even more significant in older participants and those with more years of service and those who spend more time driving during the interval of 24 hours , as well as those who drive heavier vehicles.

  2. Multiple soft limits of cosmological correlation functions

    International Nuclear Information System (INIS)

    Joyce, Austin; Khoury, Justin; Simonović, Marko

    2015-01-01

    We derive novel identities satisfied by inflationary correlation functions in the limit where two external momenta are taken to be small. We derive these statements in two ways: using background-wave arguments and as Ward identities following from the fixed-time path integral. Interestingly, these identities allow us to constrain some of the O(q 2 ) components of the soft limit, in contrast to their single-soft analogues. We provide several nontrivial checks of our identities both in the context of resonant non-Gaussianities and in small sound speed models. Additionally, we extend the relation at lowest order in external momenta to arbitrarily many soft legs, and comment on the many-soft extension at higher orders in the soft momentum. Finally, we consider how higher soft limits lead to identities satisfied by correlation functions in large-scale structure

  3. Redshift distortions of galaxy correlation functions

    International Nuclear Information System (INIS)

    Fry, J.N.; Florida Univ., Gainesville, FL; Gaztanaga, E.; Oxford Univ.

    1993-01-01

    To examine how peculiar velocities can affect the 2-, 3-, and 4-point correlation functions, we evaluate volume-average correlations for configurations that emphasize and minimize distortions for four different volume-limited samples from each of the CfA, SSRS, and IRAS redshift catalogs. We present the results as the correlation length r 0 and power index γ of the 2-point correlation, anti Ξ 2 = (r 0 /r) γ , and as the hierarchical amplitudes of the 3- and 4-point functions, S 3 = anti Ξ 3 /anti Ξ 2 2 and S 4 = anti Ξ/anti Ξ 2 3 . We find a characteristic distortion for anti Ξ 2 : The slope γ is flatter and the correlation length is larger in redshift space than in real space; that is, redshift distortions ''move'' correlations from small to large scales. At the largest scales, extra power in the redshift distribution is compatible with Ω 4/7 /b ∼ 1; we find 0.53 ± 0.15, 1.10 ± 0.16 and 0.84 ± 0.45 for the CfA, SSRS and IRAS catalogs. Higher order correlations anti Ξ 3 and anti Ξ 4 suffer similar redshift distortions, but in such a way that, within the accuracy of our analysis, the normalized amplitudes S 3 and S 4 are insensitive to this effect. The hierarchical amplitudes S 3 and S 4 are constant as a function of scale between 1-12 h -1 Mpc and have similar values in all samples and catalogues, S 3 ∼ 2 and S 4 ∼ 6, despite the fact that anti Ξ 2 , anti Ξ 3 , and anti Ξ 4 differ from one sample to another by large factors. The agreement between the independent estimations of S 3 and S 4 is remarkable given the different criteria in the selection of galaxies and also the difference in the resulting range of densities, luminosities and locations between samples

  4. Tailoring vibration mode shapes using topology optimization and functionally graded material concepts

    International Nuclear Information System (INIS)

    Rubio, Wilfredo Montealegre; Paulino, Glaucio H; Silva, Emilio Carlos Nelli

    2011-01-01

    Tailoring specified vibration modes is a requirement for designing piezoelectric devices aimed at dynamic-type applications. A technique for designing the shape of specified vibration modes is the topology optimization method (TOM) which finds an optimum material distribution inside a design domain to obtain a structure that vibrates according to specified eigenfrequencies and eigenmodes. Nevertheless, when the TOM is applied to dynamic problems, the well-known grayscale or intermediate material problem arises which can invalidate the post-processing of the optimal result. Thus, a more natural way for solving dynamic problems using TOM is to allow intermediate material values. This idea leads to the functionally graded material (FGM) concept. In fact, FGMs are materials whose properties and microstructure continuously change along a specific direction. Therefore, in this paper, an approach is presented for tailoring user-defined vibration modes, by applying the TOM and FGM concepts to design functionally graded piezoelectric transducers (FGPT) and non-piezoelectric structures (functionally graded structures—FGS) in order to achieve maximum and/or minimum vibration amplitudes at certain points of the structure, by simultaneously finding the topology and material gradation function. The optimization problem is solved by using sequential linear programming. Two-dimensional results are presented to illustrate the method

  5. Interplay of tensor correlations and vibrational coupling for single-particle states in atomic nuclei

    International Nuclear Information System (INIS)

    Colo, G.; SAgawa, H.; Bortignon, P. F.

    2009-01-01

    To study the structure of atomic nuclei, the ab-initio methods can nowadays be applied only for mass number A smaller than ∼ 10-15. For heavier systems, the self-consistent mean-field (SCMF) approach is probably the most microscopic approach which can be systematically applied to stable and exotic nuclei. In practice, the SCMF is mostly based on parametrizations of an effective interaction. However, the are groups who are intensively working on the development of a general density functional (DF) which is not necessarily extracted from an Hamiltonian. The basic question is to what extent this allows improving on the existing functionals. In this contribution we analyze the performance of existing functionals as far as the reproduction of single-particle states is concerned. We start by analyzing the effect of the tensor terms, on which the attention of several groups have recently focused. Then we discuss the impact of the particle-vibration coupling (PVC). Although the basic idea of this approach dates back to long time ago, we present here for the first time calculations which are entirely based on microscopic interactions without dropping any term or introducing ad hoc parameters. We show results both for well-known, benchmark nuclei like 4 0C a and 2 08P b as well as unstable nuclei like 1 32S n. Both single-particle energies and spectroscopic factors are discussed.(author)

  6. Vibration monitoring of the primary piping system during the hot functional tests of the Muelheim-Kaerlich PWR

    International Nuclear Information System (INIS)

    Bauernfeind, V.; Bloem, T.; Pache, W.; Diederich, H.J.

    1992-01-01

    During the hot functional tests of the Muelheim-Kaerlich plant, which was the first plant of its type, vibration measurements were made on the reactor pressure vessel and its internal parts and on the primary piping system and the main coolant pumps. This paper contains the results of the measurements taken on the pipes and the pumps with an interpretation of these measurements based on an analytical model of the primary system. The main aim of the measurement programs is to confirm that the components, which are of new structural design, are adequately dimensioned for the operational vibration loads during the service life of the reactor. In addition, the vibrational modes of the hot lines, the steam generators and the pumps with the adjacent cold lines were determined. These values were compared with the analytically calculated resonance frequencies and eigenforms. A good correspondence was found. In the course of these comparisons, information about the modelling of the supporting structures and the efficiency of the damping elements during normal operation was obtained. The vibration of the main coolant pumps was also continuously monitored. The pump surveillance system for each pump includes two non-contacting displacement sensors for measuring the kinetic shaft orbit, as well as velocity sensors for recording the vibrational velocity of the pump motor housing. During the continuous monitoring, it was checked whether the signal amplitudes remained within the allowable limits. In addition the frequency content of the signals was determined periodically. In this way deviations could be detected immediately and be explained by means of subsequent correlation analysis. Thus amplitude changes resulting from resonance effects were identified. (orig.)

  7. Correlation Functions in Holographic Minimal Models

    CERN Document Server

    Papadodimas, Kyriakos

    2012-01-01

    We compute exact three and four point functions in the W_N minimal models that were recently conjectured to be dual to a higher spin theory in AdS_3. The boundary theory has a large number of light operators that are not only invisible in the bulk but grow exponentially with N even at small conformal dimensions. Nevertheless, we provide evidence that this theory can be understood in a 1/N expansion since our correlators look like free-field correlators corrected by a power series in 1/N . However, on examining these corrections we find that the four point function of the two bulk scalar fields is corrected at leading order in 1/N through the contribution of one of the additional light operators in an OPE channel. This suggests that, to correctly reproduce even tree-level correlators on the boundary, the bulk theory needs to be modified by the inclusion of additional fields. As a technical by-product of our analysis, we describe two separate methods -- including a Coulomb gas type free-field formalism -- that ...

  8. An analytical method for free vibration analysis of functionally graded beams with edge cracks

    Science.gov (United States)

    Wei, Dong; Liu, Yinghua; Xiang, Zhihai

    2012-03-01

    In this paper, an analytical method is proposed for solving the free vibration of cracked functionally graded material (FGM) beams with axial loading, rotary inertia and shear deformation. The governing differential equations of motion for an FGM beam are established and the corresponding solutions are found first. The discontinuity of rotation caused by the cracks is simulated by means of the rotational spring model. Based on the transfer matrix method, then the recurrence formula is developed to get the eigenvalue equations of free vibration of FGM beams. The main advantage of the proposed method is that the eigenvalue equation for vibrating beams with an arbitrary number of cracks can be conveniently determined from a third-order determinant. Due to the decrease in the determinant order as compared with previous methods, the developed method is simpler and more convenient to analytically solve the free vibration problem of cracked FGM beams. Moreover, free vibration analyses of the Euler-Bernoulli and Timoshenko beams with any number of cracks can be conducted using the unified procedure based on the developed method. These advantages of the proposed procedure would be more remarkable as the increase of the number of cracks. A comprehensive analysis is conducted to investigate the influences of the location and total number of cracks, material properties, axial load, inertia and end supports on the natural frequencies and vibration mode shapes of FGM beams. The present work may be useful for the design and control of damaged structures.

  9. Neck muscle vibration can improve sensorimotor function in patients with neck pain.

    Science.gov (United States)

    Beinert, Konstantin; Keller, Martin; Taube, Wolfgang

    2015-03-01

    People with neck pain display a diminished joint position sense and disturbed postural control, which is thought to be a result of impaired somatosensory afferent activity and/or integration. Afferent processing can be artificially manipulated by vibration and was shown to reduce motor performance in healthy subjects. However, the effect of vibration on sensorimotor function in neck pain patients is scarcely investigated. To assess the effect of neck muscle vibration on joint position sense and postural control in neck pain subjects and healthy controls. Case control study. Thirteen neck pain patients and 10 healthy controls participated in the present study. Cervical joint position sense and dynamic and static postural stability. Short-term, targeted neck muscle vibration with 100 Hz was applied after baseline measurement. Vibration had opposite effects in patients and healthy subjects. Patients showed improved joint position sense (pneck pain. Thus, vibration may be used to counteract sensorimotor impairment of the cervical spine. Potential underlying mechanisms are discussed. Copyright © 2015. Published by Elsevier Inc.

  10. New angles on energy correlation functions

    Science.gov (United States)

    Moult, Ian; Necib, Lina; Thaler, Jesse

    2016-12-01

    Jet substructure observables, designed to identify specific features within jets, play an essential role at the Large Hadron Collider (LHC), both for searching for signals beyond the Standard Model and for testing QCD in extreme phase space regions. In this paper, we systematically study the structure of infrared and collinear safe substructure observables, defining a generalization of the energy correlation functions to probe n-particle correlations within a jet. These generalized correlators provide a flexible basis for constructing new substructure observables optimized for specific purposes. Focusing on three major targets of the jet substructure community — boosted top tagging, boosted W/Z/H tagging, and quark/gluon discrimination — we use power-counting techniques to identify three new series of powerful discriminants: M i , N i , and U i . The M i series is designed for use on groomed jets, providing a novel example of observables with improved discrimination power after the removal of soft radiation. The N i series behave parametrically like the N -subjettiness ratio observables, but are defined without respect to subjet axes, exhibiting improved behavior in the unresolved limit. Finally, the U i series improves quark/gluon discrimination by using higher-point correlators to simultaneously probe multiple emissions within a jet. Taken together, these observables broaden the scope for jet substructure studies at the LHC.

  11. New angles on energy correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Moult, Ian [Berkeley Center for Theoretical Physics, University of California,Berkeley, CA 94720 (United States); Theoretical Physics Group, Lawrence Berkeley National Laboratory,Berkeley, CA 94720 (United States); Center for Theoretical Physics, Massachusetts Institute of Technology,Cambridge, MA 02139 (United States); Necib, Lina; Thaler, Jesse [Center for Theoretical Physics, Massachusetts Institute of Technology,Cambridge, MA 02139 (United States)

    2016-12-29

    Jet substructure observables, designed to identify specific features within jets, play an essential role at the Large Hadron Collider (LHC), both for searching for signals beyond the Standard Model and for testing QCD in extreme phase space regions. In this paper, we systematically study the structure of infrared and collinear safe substructure observables, defining a generalization of the energy correlation functions to probe n-particle correlations within a jet. These generalized correlators provide a flexible basis for constructing new substructure observables optimized for specific purposes. Focusing on three major targets of the jet substructure community — boosted top tagging, boosted W/Z/H tagging, and quark/gluon discrimination — we use power-counting techniques to identify three new series of powerful discriminants: M{sub i}, N{sub i}, and U{sub i}. The M{sub i} series is designed for use on groomed jets, providing a novel example of observables with improved discrimination power after the removal of soft radiation. The N{sub i} series behave parametrically like the N-subjettiness ratio observables, but are defined without respect to subjet axes, exhibiting improved behavior in the unresolved limit. Finally, the U{sub i} series improves quark/gluon discrimination by using higher-point correlators to simultaneously probe multiple emissions within a jet. Taken together, these observables broaden the scope for jet substructure studies at the LHC.

  12. Structure functions and correlations in nuclei

    International Nuclear Information System (INIS)

    Schiavilla, R.; Lewart, D.S.; Pandharipande, V.R.

    1987-01-01

    The static longitudinal structure function S l (k) and the static structure function S(k) of 3 H, 3 He and 4 He nuclei and nuclear matter are calculated using realistic wave functions obtained from Faddeev and variational calculations. In order to study the variation of the structure function with the number of particles in the system we also calculate S(k) of atomic helium liquid drops containing 4, 8, 20, 40, 70, 168 and 240 atoms. Monte Carlo integration is used to calculate the structure functions of finite systems, while those of nuclear matter are calculated with chain summation methods. The behaivior of S(k) and S l (k) at small values of k is discussed. We find that the recent Saclay data on S l (k) of the 3 He nucleus are in agreement with theory. Though the data indicate the the existence of correlations between the two protons in the 3 He nucleus, they are not accurate enough to draw interesting conclusions about the repulsive core in the nucleon-nucleon interaction. The structure functions of atomic helium liquid drops indicate a smooth variation of S(k) with the number of atoms in the drop. The S L (k) of the 4 He nucleus and nuclear matter are very similar for k > 1.5 fm -1 , and it appears plausible that S L (k) of nuclei having A > 3 may not depend significantly on A when k > 1.5 fm -1 . (orig.)

  13. Vibrational characteristics of diethyltoluenediamines (DETDA) functionalized carbon nanotubes using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Ajori, S.; Ansari, R.

    2015-01-01

    Functionalization of carbon nanotubes (CNTs) can be viewed as an important process by which the dispersion and solubility of CNTs in the matrices of nanocomposites are improved. Covalent functionalization can affect the mechanical behavior of CNTs. In this paper, the vibrational behavior of diethyltoluenediamines (DETDA) functionalized CNTs is investigated utilizing molecular dynamics simulations in canonical ensemble at room temperature. The models of simulations are divided into two categories of functionalized CNTs with regular and random distributions of DETDA polymers. The results demonstrate that natural frequency of functionalized CNTs is lower than that of pristine ones. Also, it is observed that buckling phenomenon occurs during vibration for functionalized CNTs with regular distribution of polymers. It is further observed that polymer mass and van der Waals (vdW) forces are responsible for frequency changes in functionalized CNTs with random and regular distribution patterns of CNTs, respectively

  14. Correlation of analysis with high level vibration test results for primary coolant piping

    International Nuclear Information System (INIS)

    Park, Y.J.; Hofmayer, C.H.; Costello, J.F.

    1992-01-01

    Dynamic tests on a modified 1/2.5-scale model of pressurized water reactor (PWR) primary coolant piping were performed using a large shaking table at Tadotsu, Japan. The High Level Vibration Test (HLVT) program was part of a cooperative study between the United States (Nuclear Regulatory Commission/Brookhaven National Laboratory, NRC/BNL) and Japan (Ministry of International Trade and Industry/Nuclear Power Engineering Center). During the test program, the excitation level of each test run was gradually increased up to the limit of the shaking table and significant plastic strains, as well as cracking, were induced in the piping. To fully utilize the test results, NRC/BNL sponsored a project to develop corresponding analytical predictions for the nonlinear dynamic response of the piping for selected test runs. The analyses were performed using both simplified and detailed approaches. The simplified approaches utilize a linear solution and an approximate formulation for nonlinear dynamic effects such as the use of a deamplification factor. The detailed analyses were performed using available nonlinear finite element computer codes, including the MARC, ABAQUS, ADINA and WECAN codes. A comparison of various analysis techniques with the test results shows a higher prediction error in the detailed strain values in the overall response values. A summary of the correlation analyses was presented before the BNL. This paper presents a detailed description of the various analysis results and additional comparisons with test results

  15. Correlation functional in screened-exchange density functional theory procedures.

    Science.gov (United States)

    Chan, Bun; Kawashima, Yukio; Hirao, Kimihiko

    2017-10-15

    In the present study, we have explored several prospects for the further development of screened-exchange density functional theory (SX-DFT) procedures. Using the performance of HSE06 as our measure, we find that the use of alternative correlation functionals (as oppose to PBEc in HSE06) also yields adequate results for a diverse set of thermochemical properties. We have further examined the performance of new SX-DFT procedures (termed HSEB-type methods) that comprise the HSEx exchange and a (near-optimal) reparametrized B97c (c OS,0  = c SS,0  = 1, c OS,1  = -1.5, c OS,2  = -0.644, c SS,1  = -0.5, and c SS,2  = 1.10) correlation functionals. The different variants of HSEB all perform comparably to or slightly better than the original HSE-type procedures. These results, together with our fundamental analysis of correlation functionals, point toward various directions for advancing SX-DFT methods. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  16. Two-point correlation function for Dirichlet L-functions

    Science.gov (United States)

    Bogomolny, E.; Keating, J. P.

    2013-03-01

    The two-point correlation function for the zeros of Dirichlet L-functions at a height E on the critical line is calculated heuristically using a generalization of the Hardy-Littlewood conjecture for pairs of primes in arithmetic progression. The result matches the conjectured random-matrix form in the limit as E → ∞ and, importantly, includes finite-E corrections. These finite-E corrections differ from those in the case of the Riemann zeta-function, obtained in Bogomolny and Keating (1996 Phys. Rev. Lett. 77 1472), by certain finite products of primes which divide the modulus of the primitive character used to construct the L-function in question.

  17. Two-point correlation function for Dirichlet L-functions

    International Nuclear Information System (INIS)

    Bogomolny, E; Keating, J P

    2013-01-01

    The two-point correlation function for the zeros of Dirichlet L-functions at a height E on the critical line is calculated heuristically using a generalization of the Hardy–Littlewood conjecture for pairs of primes in arithmetic progression. The result matches the conjectured random-matrix form in the limit as E → ∞ and, importantly, includes finite-E corrections. These finite-E corrections differ from those in the case of the Riemann zeta-function, obtained in Bogomolny and Keating (1996 Phys. Rev. Lett. 77 1472), by certain finite products of primes which divide the modulus of the primitive character used to construct the L-function in question. (paper)

  18. Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding

    NARCIS (Netherlands)

    Ruger, R.; Niehaus, T.; van Lenthe, E.; Heine, T.; Visscher, L.

    2016-01-01

    We report a time-dependent density functional based tight-binding (TD-DFTB) scheme for the calculation of UV/Vis spectra, explicitly taking into account the excitation of nuclear vibrations via the adiabatic Hessian Franck-Condon method with a harmonic approximation for the nu- clear wavefunction.

  19. Correlation between mechanical vibrations and resolving power of an electron microscope

    International Nuclear Information System (INIS)

    Lopez, J.J.

    1975-01-01

    The mechanical vibrations of the Grenoble 1MV electron microscope are analyzed. The solutions used to obtain a stability in the order of 3.10 -6 are exposed. A resolution of 1,8A should be achieved [fr

  20. Cortical activation pattern during shoulder simple versus vibration exercises: a functional near infrared spectroscopy study

    Directory of Open Access Journals (Sweden)

    Sung Ho Jang

    2017-01-01

    Full Text Available To date, the cortical effect of exercise has not been fully elucidated. Using the functional near infrared spectroscopy, we attempted to compare the cortical effect between shoulder vibration exercise and shoulder simple exercise. Eight healthy subjects were recruited for this study. Two different exercise tasks (shoulder vibration exercise using the flexible pole and shoulder simple exercise were performed using a block paradigm. We measured the values of oxygenated hemoglobin in the four regions of interest: the primary sensory-motor cortex (SM1 total, arm somatotopy, and leg and trunk somatotopy, the premotor cortex, the supplementary motor area, and the prefrontal cortex. During shoulder vibration exercise and shoulder simple exercise, cortical activation was observed in SM1 (total, arm somatotopy, and leg and trunk somatotopy, premotor cortex, supplementary motor area, and prefrontal cortex. Higher oxygenated hemoglobin values were also observed in the areas of arm somatotopy of SM1 compared with those of other regions of interest. However, no significant difference in the arm somatotopy of SM1 was observed between the two exercises. By contrast, in the leg and trunk somatotopy of SM1, shoulder vibration exercise led to a significantly higher oxy-hemoglobin value than shoulder simple exercise. These two exercises may result in cortical activation effects for the motor areas relevant to the shoulder exercise, especially in the arm somatotopy of SM1. However, shoulder vibration exercise has an additional cortical activation effect for the leg and trunk somatotopy of SM1.

  1. Cortical activation pattern during shoulder simple versus vibration exercises: a functional near infrared spectroscopy study.

    Science.gov (United States)

    Jang, Sung Ho; Yeo, Sang Seok; Lee, Seung Hyun; Jin, Sang Hyun; Lee, Mi Young

    2017-08-01

    To date, the cortical effect of exercise has not been fully elucidated. Using the functional near infrared spectroscopy, we attempted to compare the cortical effect between shoulder vibration exercise and shoulder simple exercise. Eight healthy subjects were recruited for this study. Two different exercise tasks (shoulder vibration exercise using the flexible pole and shoulder simple exercise) were performed using a block paradigm. We measured the values of oxygenated hemoglobin in the four regions of interest: the primary sensory-motor cortex (SM1 total, arm somatotopy, and leg and trunk somatotopy), the premotor cortex, the supplementary motor area, and the prefrontal cortex. During shoulder vibration exercise and shoulder simple exercise, cortical activation was observed in SM1 (total, arm somatotopy, and leg and trunk somatotopy), premotor cortex, supplementary motor area, and prefrontal cortex. Higher oxygenated hemoglobin values were also observed in the areas of arm somatotopy of SM1 compared with those of other regions of interest. However, no significant difference in the arm somatotopy of SM1 was observed between the two exercises. By contrast, in the leg and trunk somatotopy of SM1, shoulder vibration exercise led to a significantly higher oxy-hemoglobin value than shoulder simple exercise. These two exercises may result in cortical activation effects for the motor areas relevant to the shoulder exercise, especially in the arm somatotopy of SM1. However, shoulder vibration exercise has an additional cortical activation effect for the leg and trunk somatotopy of SM1.

  2. Transverse Vibration of Axially Moving Functionally Graded Materials Based on Timoshenko Beam Theory

    Directory of Open Access Journals (Sweden)

    Suihan Sui

    2015-01-01

    Full Text Available The transverse free vibration of an axially moving beam made of functionally graded materials (FGM is investigated using a Timoshenko beam theory. Natural frequencies, vibration modes, and critical speeds of such axially moving systems are determined and discussed in detail. The material properties are assumed to vary continuously through the thickness of the beam according to a power law distribution. Hamilton’s principle is employed to derive the governing equation and a complex mode approach is utilized to obtain the transverse dynamical behaviors including the vibration modes and natural frequencies. Effects of the axially moving speed and the power-law exponent on the dynamic responses are examined. Some numerical examples are presented to reveal the differences of natural frequencies for Timoshenko beam model and Euler beam model. Moreover, the critical speed is determined numerically to indicate its variation with respect to the power-law exponent, axial initial stress, and length to thickness ratio.

  3. Relations between correlation functions in gauge field theory

    International Nuclear Information System (INIS)

    Simonov, Yu. A.; Shevchenko, V. I.

    1997-01-01

    Exact relations between vacuum correlations of non-Abelian field strengths are obtained. With the aid of exterior differentiation, the invariant parts of a given correlation function are expressed in terms of higher order correlation functions. The corollaries of these relations for the behavior of nonperturbative correlation functions at small and large distances are deduced

  4. Measurement of correlations between low-frequency vibrational modes and particle rearrangements in quasi-two-dimensional colloidal glasses.

    Science.gov (United States)

    Chen, Ke; Manning, M L; Yunker, Peter J; Ellenbroek, Wouter G; Zhang, Zexin; Liu, Andrea J; Yodh, A G

    2011-09-02

    We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance matrix is measured and used to extract the vibrational spectrum of the "shadow" colloidal glass (i.e., the particle network with the same geometry and interactions as the sample colloid but absent damping). Rearrangements are induced by successive, small reductions in the packing fraction. The experimental results suggest that low-frequency quasilocalized phonon modes in colloidal glasses, i.e., modes that present low energy barriers for system rearrangements, are spatially correlated with rearrangements in this thermal system.

  5. Vibration control of uncertain multiple launch rocket system using radial basis function neural network

    Science.gov (United States)

    Li, Bo; Rui, Xiaoting

    2018-01-01

    Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.

  6. Vibration analysis of a functionally graded piezoelectric cylindrical actuator

    International Nuclear Information System (INIS)

    Zhang, T T; Shi, Z F; Spencer, B F Jr

    2008-01-01

    This paper focuses on the response of a functionally graded piezoelectric cylindrical actuator placed in a harmonic electric field based on elastic membrane theory and shell theory. The actuator is polarized in the radial direction with its piezoelectric coefficient d 31 varying linearly along the axial direction. In the present investigation, non-dimensional expressions are introduced, and analytical solutions for this class of actuator are obtained. The results provided in the present study are compared with other investigations, with good agreement being found. The major differences between a functionally graded actuator and an actuator with homogeneous material properties are identified, and the advantages of the former are demonstrated. In the last section of this paper, limitations of membrane theory and shell theory models are discussed

  7. Free Vibration and Stability of Axially Functionally Graded Tapered Euler-Bernoulli Beams

    Directory of Open Access Journals (Sweden)

    Ahmad Shahba

    2011-01-01

    Full Text Available Structural analysis of axially functionally graded tapered Euler-Bernoulli beams is studied using finite element method. A beam element is proposed which takes advantage of the shape functions of homogeneous uniform beam elements. The effects of varying cross-sectional dimensions and mechanical properties of the functionally graded material are included in the evaluation of structural matrices. This method could be used for beam elements with any distributions of mass density and modulus of elasticity with arbitrarily varying cross-sectional area. Assuming polynomial distributions of modulus of elasticity and mass density, the competency of the element is examined in stability analysis, free longitudinal vibration and free transverse vibration of double tapered beams with different boundary conditions and the convergence rate of the element is then investigated.

  8. Molecular Structure And Vibrational Frequencies of Tetrafluoro isophthalonitrile By Hartree-Fock And Density Functional Theory Calculations

    International Nuclear Information System (INIS)

    Ayikoglu, A.

    2008-01-01

    The molecular structure, vibrational frequencies and corresponding vibrational assignments of tetrafluoro isophthalonitrile (TFPN) in the ground state have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were utilized in the CS symmetry of TFPN. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that the B3LYP method is superior to the HF method for both the vibrational frequencies and geometric parameters

  9. Whole-body vibration improves neuromuscular parameters and functional capacity in osteopenic postmenopausal women.

    Science.gov (United States)

    Dutra, Milena C; de Oliveira, Mônica L; Marin, Rosangela V; Kleine, Hellen C R; Silva, Orivaldo L; Lazaretti-Castro, Marise

    2016-08-01

    In this longitudinal, paired-control study, we developed special vibration platforms to evaluate the effects of low-intensity vibration on neuromuscular function and functional capacity in osteopenic postmenopausal women. Women in the platform group (PG; n = 62) stood still and barefoot on the platform for 20 minutes, 5 times a week for 12 months. Each platform vibrated with a frequency of 60 Hz, intensity of 0.6g, and amplitude of less than 1 mm. Women in the control group (CG; n = 60) were followed up and instructed not to modify their physical activity during the study. Every 3 months all volunteers were invited to a visit to check for any change in their lifestyle. Assessments were performed at baseline and at 12 months, and included isometric muscle strength in the hip flexors and back extensors, right handgrip strength, dynamic upper limb strength (arm curl test), upper trunk flexibility (reach test [RT]), mobility (timed up and go test), and static balance (unipedal stance test). Statistical analyses were performed using the intention-to-treat strategy. Both groups were similar for all variables at baseline. At the end of intervention, the PG was significantly better than CG in all parameters but in the RT. When compared with baseline, after 12 months of vibration the PG presented statistically significant improvements in isometric and dynamic muscle strength in the hip flexors (+36.7%), back extensors (+36.5%), handgrip strength (+4.4%), arm curl test (+22.8%), RT (+9.9%), unipedal stance test (+6.8%), and timed up and go test (-9.2%), whereas the CG showed no significant differences during the same period of time. As such, there were no side effects related to the study procedures during the 12 months of intervention. Low-intensity vibration improved balance, motility, and muscle strength in the upper and lower limbs in postmenopausal women.

  10. Two-proton correlation function: a gentle introduction

    International Nuclear Information System (INIS)

    Deloff, A.

    2007-01-01

    The recent COSY-11 collaboration measurement of the two-proton correlation function in the pp→ppη reaction, reported at this meeting [1], arouse some interest in a simple theoretical description of the correlation function. In these notes we present a pedagogical introduction to the practical methods that can be used for calculating the correlation function

  11. Structuring Stokes correlation functions using vector-vortex beam

    Science.gov (United States)

    Kumar, Vijay; Anwar, Ali; Singh, R. P.

    2018-01-01

    Higher order statistical correlations of the optical vector speckle field, formed due to scattering of a vector-vortex beam, are explored. Here, we report on the experimental construction of the Stokes parameters covariance matrix, consisting of all possible spatial Stokes parameters correlation functions. We also propose and experimentally realize a new Stokes correlation functions called Stokes field auto correlation functions. It is observed that the Stokes correlation functions of the vector-vortex beam will be reflected in the respective Stokes correlation functions of the corresponding vector speckle field. The major advantage of proposing Stokes correlation functions is that the Stokes correlation function can be easily tuned by manipulating the polarization of vector-vortex beam used to generate vector speckle field and to get the phase information directly from the intensity measurements. Moreover, this approach leads to a complete experimental Stokes characterization of a broad range of random fields.

  12. Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

    Science.gov (United States)

    Van Dyke, Michael B.

    2013-01-01

    Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

  13. Whole-body vibration does not influence knee joint neuromuscular function or proprioception.

    Science.gov (United States)

    Hannah, R; Minshull, C; Folland, J P

    2013-02-01

    This study examined the acute effects of whole-body vibration (WBV) on knee joint position sense and indices of neuromuscular function, specifically strength, electromechanical delay and the rate of force development. Electromyography and electrically evoked contractions were used to investigate neural and contractile responses to WBV. Fourteen healthy males completed two treatment conditions on separate occasions: (1) 5 × 1 min of unilateral isometric squat exercise on a synchronous vibrating platform [30 Hz, 4 mm peak-to-peak amplitude] (WBV) and (2) a control condition (CON) of the same exercise without WBV. Knee joint position sense (joint angle replication task) and quadriceps neuromuscular function were assessed pre-, immediately-post and 1 h post-exercise. During maximum voluntary knee extensions, the peak force (PF(V)), electromechanical delay (EMD(V)), rate of force development (RFD(V)) and EMG of the quadriceps were measured. Twitch contractions of the knee extensors were electrically evoked to assess EMD(E) and RFD(E). The results showed no influence of WBV on knee joint position, EMD(V), PF(V) and RFD(V) during the initial 50, 100 or 150 ms of contraction. Similarly, electrically evoked neuromuscular function and neural activation remained unchanged following the vibration exercise. A single session of unilateral WBV did not influence any indices of thigh muscle neuromuscular performance or knee joint proprioception. © 2011 John Wiley & Sons A/S.

  14. Investigation of free vibration analysis of functionally graded annular piezoelectric plate using COMSOL

    Science.gov (United States)

    Sharma, Trivendra Kumar; Parashar, Sandeep Kumar

    2018-05-01

    In the present age functionally graded piezoelectric materials (FGPM) are increasingly being used as actuators and sensors. In spite of the fact that the piezoelectric coupling coefficient for shear d15 has much higher value in comparison to d31 or d33, it is far less utilized for the applications due to complex nature of the shear induced vibrations. In this work three dimensional free vibration analysis of functionally graded piezoelectric material annular plates with free-free boundary conditions is presented. The annular FGPM plate is polarized along the radial direction while the electric field is applied along the thickness direction inducing flexural vibrations of the plate due to d15 effect of functionally graded piezoelectric materials. The material properties are assumed to have a power law variation along the thickness. COMSOL Multiphysics is used to obtain the natural frequencies and modeshapes. Detailed numerical study is performed to ascertain the effect of variation in power law index and various geometrical parameters. The results presented shall be helpful in optimizing the existing applications and developing the new ones utilizing the FGPM annular plates.

  15. The approximation function of bridge deck vibration derived from the measured eigenmodes

    Directory of Open Access Journals (Sweden)

    Sokol Milan

    2017-12-01

    Full Text Available This article deals with a method of how to acquire approximate displacement vibration functions. Input values are discrete, experimentally obtained mode shapes. A new improved approximation method based on the modal vibrations of the deck is derived using the least-squares method. An alternative approach to be employed in this paper is to approximate the displacement vibration function by a sum of sine functions whose periodicity is determined by spectral analysis adapted for non-uniformly sampled data and where the parameters of scale and phase are estimated as usual by the least-squares method. Moreover, this periodic component is supplemented by a cubic regression spline (fitted on its residuals that captures individual displacements between piers. The statistical evaluation of the stiffness parameter is performed using more vertical modes obtained from experimental results. The previous method (Sokol and Flesch, 2005, which was derived for near the pier areas, has been enhanced to the whole length of the bridge. The experimental data describing the mode shapes are not appropriate for direct use. Especially the higher derivatives calculated from these data are very sensitive to data precision.

  16. Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.

    Science.gov (United States)

    Nilsson, Zach N; Mandella, Brian L; Sen, Kakali; Kekilli, Demet; Hough, Michael A; Moënne-Loccoz, Pierre; Strange, Richard W; Andrew, Colin R

    2017-11-06

    Nitrite coordination to heme cofactors is a key step in the anaerobic production of the signaling molecule nitric oxide (NO). An ambidentate ligand, nitrite has the potential to coordinate via the N- (nitro) or O- (nitrito) atoms in a manner that can direct its reactivity. Distinguishing nitro vs nitrito coordination, along with the influence of the surrounding protein, is therefore of particular interest. In this study, we probed Fe(III) heme-nitrite coordination in Alcaligenes xylosoxidans cytochrome c' (AXCP), an NO carrier that excludes anions in its native state but that readily binds nitrite (K d ∼ 0.5 mM) following a distal Leu16 → Gly mutation to remove distal steric constraints. Room-temperature resonance Raman spectra (407 nm excitation) identify ν(Fe-NO 2 ), δ(ONO), and ν s (NO 2 ) nitrite ligand vibrations in solution. Illumination with 351 nm UV light results in photoconversion to {FeNO} 6 and {FeNO} 7 states, enabling FTIR measurements to distinguish ν s (NO 2 ) and ν as (NO 2 ) vibrations from differential spectra. Density functional theory calculations highlight the connections between heme environment, nitrite coordination mode, and vibrational properties and confirm that nitrite binds to L16G AXCP exclusively through the N atom. Efforts to obtain the nitrite complex crystal structure were hampered by photochemistry in the X-ray beam. Although low dose crystal structures could be modeled with a mixed nitrite (nitro)/H 2 O distal population, their photosensitivity and partial occupancy underscores the value of the vibrational approach. Overall, this study sheds light on steric determinants of heme-nitrite binding and provides vibrational benchmarks for future studies of heme protein nitrite reactions.

  17. Memory functions and correlations in additive binary Markov chains

    International Nuclear Information System (INIS)

    Melnyk, S S; Usatenko, O V; Yampol'skii, V A; Apostolov, S S; Maiselis, Z A

    2006-01-01

    A theory of additive Markov chains with a long-range memory, proposed earlier in Usatenko et al (2003 Phys. Rev. E 68 061107), is developed and used to describe statistical properties of long-range correlated systems. The convenient characteristics of such systems, memory functions and their relation to the correlation properties of the systems are examined. Various methods for finding the memory function via the correlation function are proposed. The inverse problem (calculation of the correlation function by means of the prescribed memory function) is also solved. This is demonstrated for the analytically solvable model of the system with a step-wise memory function

  18. Memory functions and correlations in additive binary Markov chains

    Energy Technology Data Exchange (ETDEWEB)

    Melnyk, S S [A Ya Usikov Institute for Radiophysics and Electronics, Ukrainian Academy of Science, 12 Proskura Street, 61085 Kharkov (Ukraine); Usatenko, O V [A Ya Usikov Institute for Radiophysics and Electronics, Ukrainian Academy of Science, 12 Proskura Street, 61085 Kharkov (Ukraine); Yampol' skii, V A [A Ya Usikov Institute for Radiophysics and Electronics, Ukrainian Academy of Science, 12 Proskura Street, 61085 Kharkov (Ukraine); Apostolov, S S [V N Karazin Kharkov National University, 4 Svoboda Sq., Kharkov 61077 (Ukraine); Maiselis, Z A [V N Karazin Kharkov National University, 4 Svoboda Sq., Kharkov 61077 (Ukraine)

    2006-11-17

    A theory of additive Markov chains with a long-range memory, proposed earlier in Usatenko et al (2003 Phys. Rev. E 68 061107), is developed and used to describe statistical properties of long-range correlated systems. The convenient characteristics of such systems, memory functions and their relation to the correlation properties of the systems are examined. Various methods for finding the memory function via the correlation function are proposed. The inverse problem (calculation of the correlation function by means of the prescribed memory function) is also solved. This is demonstrated for the analytically solvable model of the system with a step-wise memory function.

  19. A method of noise reduction in heterodyne interferometric vibration metrology by combining auto-correlation analysis and spectral filtering

    Science.gov (United States)

    Hao, Hongliang; Xiao, Wen; Chen, Zonghui; Ma, Lan; Pan, Feng

    2018-01-01

    Heterodyne interferometric vibration metrology is a useful technique for dynamic displacement and velocity measurement as it can provide a synchronous full-field output signal. With the advent of cost effective, high-speed real-time signal processing systems and software, processing of the complex signals encountered in interferometry has become more feasible. However, due to the coherent nature of the laser sources, the sequence of heterodyne interferogram are corrupted by a mixture of coherent speckle and incoherent additive noise, which can severely degrade the accuracy of the demodulated signal and the optical display. In this paper, a new heterodyne interferometric demodulation method by combining auto-correlation analysis and spectral filtering is described leading to an expression for the dynamic displacement and velocity of the object under test that is significantly more accurate in both the amplitude and frequency of the vibrating waveform. We present a mathematical model of the signals obtained from interferograms that contain both vibration information of the measured objects and the noise. A simulation of the signal demodulation process is presented and used to investigate the noise from the system and external factors. The experimental results show excellent agreement with measurements from a commercial Laser Doppler Velocimetry (LDV).

  20. Somatosensory Nerve Function, Measured by Vibration Thresholds in Asymptomatic Tennis Players: A Pilot Study

    Directory of Open Access Journals (Sweden)

    Sarah Harrisson

    2015-06-01

    Full Text Available Tennis players are vulnerable to injury in their upper limbs due to the repetitive exposure to racket vibrations and torsional forces during play, leading to musculoskeletal adaptations in the dominant arm including some evidence of changes in nerve function (Colak et al., 2004. Vibration is a sensitive technique for diagnosing mild pathology in clinically asymptomatic participant groups. It has been used in participants with various musculoskeletal disorders (Laursen et al., 2006 (Tucker et al., 2007 showing widespread and bilateral increases in vibration threshold. Tests of somatosensory function by vibration will be abnormal prior to changes in nerve conduction velocity. Thus vibration testing in a sub-clinical group of participants may a more sensitive measure of nerve function compared to nerve conduction by electrodiagnostic testing. The aim of this pilot study was to conduct an exploratory investigation to establish whether tennis players have a reduction in their somatosensory nerve function compared to non- tennis playing controls. It also set out to compare the somatosensory nerve function of the dominant compared to the non-dominant upper limb in tennis players. Healthy tennis players (males, n = 8, females, n = 2, mean age 22 years and control non- tennis playing volunteers (males, n = 6, females, n = 4, mean age 22 years were recruited on an opportunistic basis from a tennis centre in London UK. Participants were excluded if they had any history of neurological impairment, serious injury or fracture or any arthritic condition affecting the upper limbs, cervical or thoracic spine. Control participants were excluded if it was deemed that they played a sport where there was exposure to repetitive use of the upper body. Ethical approval was obtained from the University College London Ethics Committee and all participants gave written informed consent. A preliminary clinical examination was carried out on all participants followed by

  1. Symmetry-Adapted Ro-vibrational Basis Functions for Variational Nuclear Motion Calculations: TROVE Approach.

    Science.gov (United States)

    Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I

    2017-09-12

    We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.

  2. A time correlation function theory describing static field enhanced third order optical effects at interfaces.

    Science.gov (United States)

    Neipert, Christine; Space, Brian

    2006-12-14

    Sum vibrational frequency spectroscopy, a second order optical process, is interface specific in the dipole approximation. At charged interfaces, there exists a static field, and as a direct consequence, the experimentally detected signal is a combination of enhanced second and static field induced third order contributions. There is significant evidence in the literature of the importance/relative magnitude of this third order contribution, but no previous molecularly detailed approach existed to separately calculate the second and third order contributions. Thus, for the first time, a molecularly detailed time correlation function theory is derived here that allows for the second and third order contributions to sum frequency vibrational spectra to be individually determined. Further, a practical, molecular dynamics based, implementation procedure for the derived correlation functions that describe the third order phenomenon is also presented. This approach includes a novel generalization of point atomic polarizability models to calculate the hyperpolarizability of a molecular system. The full system hyperpolarizability appears in the time correlation functions responsible for third order contributions in the presence of a static field.

  3. A cumulant functional for static and dynamic correlation

    International Nuclear Information System (INIS)

    Hollett, Joshua W.; Hosseini, Hessam; Menzies, Cameron

    2016-01-01

    A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H 2 , LiH, and N 2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F 2 , mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.

  4. Structure functions and correlations in nuclei

    International Nuclear Information System (INIS)

    Fantoni, S.

    1988-01-01

    In this paper the results obtained for the static structure function S(k) and the longitudinal structure function S L (k) of 3 H, 3 He and 4 He nuclei and nuclear matter are presented and discussed. The calculations have been performed using realistic wave functions obtained from Faddeev and variational theories. The Monte Carlo method has been used to calculate the structure functions of finite systems, and the FHNC/SOC method for nuclear matter. The results for the 3 He nucleus are in agreement with the recent Saclay data. The results for nuclear matter are compared with the experimental data relative to heavier nuclei, like e.g. 40 Ca

  5. ATR-FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite.

    Science.gov (United States)

    Kubicki, James D; Paul, Kristian W; Kabalan, Lara; Zhu, Qing; Mrozik, Michael K; Aryanpour, Masoud; Pierre-Louis, Andro-Marc; Strongin, Daniel R

    2012-10-16

    Periodic plane-wave density functional theory (DFT) and molecular cluster hybrid molecular orbital-DFT (MO-DFT) calculations were performed on models of phosphate surface complexes on the (100), (010), (001), (101), and (210) surfaces of α-FeOOH (goethite). Binding energies of monodentate and bidentate HPO(4)(2-) surface complexes were compared to H(2)PO(4)(-) outer-sphere complexes. Both the average potential energies from DFT molecular dynamics (DFT-MD) simulations and energy minimizations were used to estimate adsorption energies for each configuration. Molecular clusters were extracted from the energy-minimized structures of the periodic systems and subjected to energy reminimization and frequency analysis with MO-DFT. The modeled P-O and P---Fe distances were consistent with EXAFS data for the arsenate oxyanion that is an analog of phosphate, and the interatomic distances predicted by the clusters were similar to those of the periodic models. Calculated vibrational frequencies from these clusters were then correlated with observed infrared bands. Configurations that resulted in favorable adsorption energies were also found to produce theoretical vibrational frequencies that correlated well with experiment. The relative stability of monodentate versus bidentate configurations was a function of the goethite surface under consideration. Overall, our results show that phosphate adsorption onto goethite occurs as a variety of surface complexes depending on the habit of the mineral (i.e., surfaces present) and solution pH. Previous IR spectroscopic studies may have been difficult to interpret because the observed spectra averaged the structural properties of three or more configurations on any given sample with multiple surfaces.

  6. Size-dependent axisymmetric vibration of functionally graded circular plates in bifurcation/limit point instability

    Science.gov (United States)

    Ashoori, A. R.; Vanini, S. A. Sadough; Salari, E.

    2017-04-01

    In the present paper, vibration behavior of size-dependent functionally graded (FG) circular microplates subjected to thermal loading are carried out in pre/post-buckling of bifurcation/limit-load instability for the first time. Two kinds of frequently used thermal loading, i.e., uniform temperature rise and heat conduction across the thickness direction are considered. Thermo-mechanical material properties of FG plate are supposed to vary smoothly and continuously throughout the thickness based on power law model. Modified couple stress theory is exploited to describe the size dependency of microplate. The nonlinear governing equations of motion and associated boundary conditions are extracted through generalized form of Hamilton's principle and von-Karman geometric nonlinearity for the vibration analysis of circular FG plates including size effects. Ritz finite element method is then employed to construct the matrix representation of governing equations which are solved by two different strategies including Newton-Raphson scheme and cylindrical arc-length method. Moreover, in the following a parametric study is accompanied to examine the effects of the several parameters such as material length scale parameter, temperature distributions, type of buckling, thickness to radius ratio, boundary conditions and power law index on the dimensionless frequency of post-buckled/snapped size-dependent FG plates in detail. It is found that the material length scale parameter and thermal loading have a significant effect on vibration characteristics of size-dependent circular FG plates.

  7. Free vibration of functionally graded beams and frameworks using the dynamic stiffness method

    Science.gov (United States)

    Banerjee, J. R.; Ananthapuvirajah, A.

    2018-05-01

    The free vibration analysis of functionally graded beams (FGBs) and frameworks containing FGBs is carried out by applying the dynamic stiffness method and deriving the elements of the dynamic stiffness matrix in explicit algebraic form. The usually adopted rule that the material properties of the FGB vary continuously through the thickness according to a power law forms the fundamental basis of the governing differential equations of motion in free vibration. The differential equations are solved in closed analytical form when the free vibratory motion is harmonic. The dynamic stiffness matrix is then formulated by relating the amplitudes of forces to those of the displacements at the two ends of the beam. Next, the explicit algebraic expressions for the dynamic stiffness elements are derived with the help of symbolic computation. Finally the Wittrick-Williams algorithm is applied as solution technique to solve the free vibration problems of FGBs with uniform cross-section, stepped FGBs and frameworks consisting of FGBs. Some numerical results are validated against published results, but in the absence of published results for frameworks containing FGBs, consistency checks on the reliability of results are performed. The paper closes with discussion of results and conclusions.

  8. Electro-mechanical vibration analysis of functionally graded piezoelectric porous plates in the translation state

    Science.gov (United States)

    Wang, Yan Qing

    2018-02-01

    To provide reference for aerospace structural design, electro-mechanical vibrations of functionally graded piezoelectric material (FGPM) plates carrying porosities in the translation state are investigated. A modified power law formulation is employed to depict the material properties of the plates in the thickness direction. Three terms of inertial forces are taken into account due to the translation of plates. The geometrical nonlinearity is considered by adopting the von Kármán non-linear relations. Using the d'Alembert's principle, the nonlinear governing equation of the out-of-plane motion of the plates is derived. The equation is further discretized to a system of ordinary differential equations using the Galerkin method, which are subsequently solved via the harmonic balance method. Then, the approximate analytical results are validated by utilizing the adaptive step-size fourth-order Runge-Kutta technique. Additionally, the stability of the steady state responses is examined by means of the perturbation technique. Linear and nonlinear vibration analyses are both carried out and results display some interesting dynamic phenomenon for translational porous FGPM plates. Parametric study shows that the vibration characteristics of the present inhomogeneous structure depend on several key physical parameters.

  9. Moving in the Right Direction: Evolution of Protein Structural Vibrations with Functional State and Mutation

    Science.gov (United States)

    Niessen, Katherine; Xu, Mengyang; Snell, Edward; Markelz, Andrea

    Long-range intramolecular vibrations may enable efficient access to functionally important conformations. We examine how these motions change with inhibitor binding and mutation using terahertz anisotropic absorption and molecular modeling. The measured anisotropic absorption dramatically changes with 3NAG inhibitor binding for wild type (WT) free chicken egg white lysozyme (CEWL). We examine the evolution of internal motions with binding using normal mode analysis to calculate an ensemble averaged vibrational density of states (VDOS) and isotropic and anisotropic absorptions for both WT and a two residue (R14 and H15) deletion mutant which has a 1.4 higher activity rate. While the VDOS and isotropic response are largely unchanged with inhibitor binding, the anisotropic response changes dramatically with binding. However, for the mutant the calculated unbound anisotropic absorption more closely resembles its bound spectrum, and it has increased calculated mean squared fluctuations in regions overlapping those in its bound state. These results indicate that the mutant's enhanced activity may be due to a shift in the direction of vibrations toward those of the bound state, increasing the sampling rate of the bound conformation.

  10. The role of triplet correlation function in dense fluids

    International Nuclear Information System (INIS)

    Rashid, R.I.M.A.

    1993-09-01

    In the theory of dense liquids, one usually introduces various correlation functions for describing properties of such systems. It has proved impossible to solve these correlation functions exactly and as such one often resorts to some meaningful approximations for their solutions. It is well known that unless proper precautions are taken, the approximate solutions will violate some useful sum rules and thermodynamic consistency conditions. Here the general rules for generating thermodynamically consistent approximate correlation functions are discussed. The role of triplet correlation is elucidated further by calculating a residual correction to the vacancy formation energy via three-particle correlation in rare gas solids. (author). 16 refs, 4 figs, 1 tab

  11. Two-point correlation functions in inhomogeneous and anisotropic cosmologies

    International Nuclear Information System (INIS)

    Marcori, Oton H.; Pereira, Thiago S.

    2017-01-01

    Two-point correlation functions are ubiquitous tools of modern cosmology, appearing in disparate topics ranging from cosmological inflation to late-time astrophysics. When the background spacetime is maximally symmetric, invariance arguments can be used to fix the functional dependence of this function as the invariant distance between any two points. In this paper we introduce a novel formalism which fixes this functional dependence directly from the isometries of the background metric, thus allowing one to quickly assess the overall features of Gaussian correlators without resorting to the full machinery of perturbation theory. As an application we construct the CMB temperature correlation function in one inhomogeneous (namely, an off-center LTB model) and two spatially flat and anisotropic (Bianchi) universes, and derive their covariance matrices in the limit of almost Friedmannian symmetry. We show how the method can be extended to arbitrary N -point correlation functions and illustrate its use by constructing three-point correlation functions in some simple geometries.

  12. Two-point correlation functions in inhomogeneous and anisotropic cosmologies

    Energy Technology Data Exchange (ETDEWEB)

    Marcori, Oton H.; Pereira, Thiago S., E-mail: otonhm@hotmail.com, E-mail: tspereira@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86057-970, Londrina PR (Brazil)

    2017-02-01

    Two-point correlation functions are ubiquitous tools of modern cosmology, appearing in disparate topics ranging from cosmological inflation to late-time astrophysics. When the background spacetime is maximally symmetric, invariance arguments can be used to fix the functional dependence of this function as the invariant distance between any two points. In this paper we introduce a novel formalism which fixes this functional dependence directly from the isometries of the background metric, thus allowing one to quickly assess the overall features of Gaussian correlators without resorting to the full machinery of perturbation theory. As an application we construct the CMB temperature correlation function in one inhomogeneous (namely, an off-center LTB model) and two spatially flat and anisotropic (Bianchi) universes, and derive their covariance matrices in the limit of almost Friedmannian symmetry. We show how the method can be extended to arbitrary N -point correlation functions and illustrate its use by constructing three-point correlation functions in some simple geometries.

  13. Nucleon-nucleon momentum correlation function for light nuclei

    International Nuclear Information System (INIS)

    Ma, Y.G.; Cai, X.Z.; Chen, J.G.; Fang, D.Q.; Guo, W.; Liu, G.H.; Ma, C.W.; Ma, E.J.; Shen, W.Q.; Shi, Y.; Su, Q.M.; Tian, W.D.; Wang, H.W.; Wang, K.; Wei, Y.B.; Yan, T.Z.

    2007-01-01

    Nucleon-nucleon momentum correlation function have been presented for nuclear reactions with neutron-rich or proton-rich projectiles using a nuclear transport theory, namely Isospin-Dependent Quantum Molecular Dynamics model. The relationship between the binding energy of projectiles and the strength of proton-neutron correlation function at small relative momentum has been explored, while proton-proton correlation function shows its sensitivity to the proton density distribution. Those results show that nucleon-nucleon correlation function is useful to reflect some features of the neutron- or proton-halo nuclei and therefore provide a potential tool for the studies of radioactive beam physics

  14. Low intensity, high frequency vibration training to improve musculoskeletal function in a mouse model of Duchenne muscular dystrophy.

    Directory of Open Access Journals (Sweden)

    Susan A Novotny

    Full Text Available The objective of the study was to determine if low intensity, high frequency vibration training impacted the musculoskeletal system in a mouse model of Duchenne muscular dystrophy, relative to healthy mice. Three-week old wildtype (n = 26 and mdx mice (n = 22 were randomized to non-vibrated or vibrated (45 Hz and 0.6 g, 15 min/d, 5 d/wk groups. In vivo and ex vivo contractile function of the anterior crural and extensor digitorum longus muscles, respectively, were assessed following 8 wks of vibration. Mdx mice were injected 5 and 1 days prior to sacrifice with Calcein and Xylenol, respectively. Muscles were prepared for histological and triglyceride analyses and subcutaneous and visceral fat pads were excised and weighed. Tibial bones were dissected and analyzed by micro-computed tomography for trabecular morphometry at the metaphysis, and cortical geometry and density at the mid-diaphysis. Three-point bending tests were used to assess cortical bone mechanical properties and a subset of tibiae was processed for dynamic histomorphometry. Vibration training for 8 wks did not alter trabecular morphometry, dynamic histomorphometry, cortical geometry, or mechanical properties (P ≥ 0.34. Vibration did not alter any measure of muscle contractile function (P ≥ 0.12; however the preservation of muscle function and morphology in mdx mice indicates vibration is not deleterious to muscle lacking dystrophin. Vibrated mice had smaller subcutaneous fat pads (P = 0.03 and higher intramuscular triglyceride concentrations (P = 0.03. These data suggest that vibration training at 45 Hz and 0.6 g did not significantly impact the tibial bone and the surrounding musculature, but may influence fat distribution in mice.

  15. Transverse vibration of pipe conveying fluid made of functionally graded materials using a symplectic method

    International Nuclear Information System (INIS)

    Wang, Zhong-Min; Liu, Yan-Zhuang

    2016-01-01

    Highlights: • We investigate the transverse vibration of FGM pipe conveying fluid. • The FGM pipe conveying fluid can be classified into two cases. • The variations between the frequency and the power law exponent are obtained. • “Case 1” is relatively more reasonable than “case 2”. - Abstract: Problems related to the transverse vibration of pipe conveying fluid made of functionally graded material (FGM) are addressed. Based on inside and outside surface material compositions of the pipe, FGM pipe conveying fluid can be classified into two cases. It is hypothesized that the physical parameters of the material along the direction of the pipe wall thickness change in the simple power law. A differential equation of motion expressed in non-dimensional quantities is derived by using Hamilton's principle for systems of changing mass. Using the assuming modal method, the pipe deflection function is expanded into a series, in which each term is expressed to admissible function multiplied by generalized coordinate. Then, the differential equation of motion is discretized into the two order differential equations expressed in the generalized coordinates. Based on symplectic elastic theory and the introduction of dual system and dual variable, Hamilton's dual equations are derived, and the original problem is reduced to eigenvalue and eigenvector problem in the symplectic space. Finally, a symplectic method is employed to analyze the vibration and stability of FGM pipe conveying fluid. For a clamped–clamped FGM pipe conveying fluid in “case 1” and “case 2”, the dimensionless critical flow velocity for first-mode divergence and the critical coupled-mode flutter flow velocity are obtained, and the variations between the real part and imaginary part of dimensionless complex frequency and fluid velocity, mass ratio and the power law exponent (or graded index, volume fraction) for FGM pipe conveying fluid are analyzed.

  16. Transverse vibration of pipe conveying fluid made of functionally graded materials using a symplectic method

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhong-Min, E-mail: wangzhongm@xaut.edu.cn; Liu, Yan-Zhuang

    2016-03-15

    Highlights: • We investigate the transverse vibration of FGM pipe conveying fluid. • The FGM pipe conveying fluid can be classified into two cases. • The variations between the frequency and the power law exponent are obtained. • “Case 1” is relatively more reasonable than “case 2”. - Abstract: Problems related to the transverse vibration of pipe conveying fluid made of functionally graded material (FGM) are addressed. Based on inside and outside surface material compositions of the pipe, FGM pipe conveying fluid can be classified into two cases. It is hypothesized that the physical parameters of the material along the direction of the pipe wall thickness change in the simple power law. A differential equation of motion expressed in non-dimensional quantities is derived by using Hamilton's principle for systems of changing mass. Using the assuming modal method, the pipe deflection function is expanded into a series, in which each term is expressed to admissible function multiplied by generalized coordinate. Then, the differential equation of motion is discretized into the two order differential equations expressed in the generalized coordinates. Based on symplectic elastic theory and the introduction of dual system and dual variable, Hamilton's dual equations are derived, and the original problem is reduced to eigenvalue and eigenvector problem in the symplectic space. Finally, a symplectic method is employed to analyze the vibration and stability of FGM pipe conveying fluid. For a clamped–clamped FGM pipe conveying fluid in “case 1” and “case 2”, the dimensionless critical flow velocity for first-mode divergence and the critical coupled-mode flutter flow velocity are obtained, and the variations between the real part and imaginary part of dimensionless complex frequency and fluid velocity, mass ratio and the power law exponent (or graded index, volume fraction) for FGM pipe conveying fluid are analyzed.

  17. Neurobiological correlates of social functioning in autism.

    Science.gov (United States)

    Neuhaus, Emily; Beauchaine, Theodore P; Bernier, Raphael

    2010-08-01

    Although autism is defined by deficits in three areas of functioning (social, communicative, and behavioral), impairments in social interest and restricted behavioral repertoires are central to the disorder. As a result, a detailed understanding of the neurobiological systems subserving social behavior may have implications for prevention, early identification, and intervention for affected families. In this paper, we review a number of potential neurobiological mechanisms--across several levels of analysis--that subserve normative social functioning. These include neural networks, neurotransmitters, and hormone systems. After describing the typical functioning of each system, we review available empirical findings specific to autism. Among the most promising potential mechanisms of social behavioral deficits in autism are those involving neural networks including the amygdala, the mesocorticolimbic dopamine system, and the oxytocin system. Particularly compelling are explanatory models that integrate mechanisms across biological systems, such as those linking dopamine and oxytocin with brain regions critical to reward processing. Copyright 2010 Elsevier Ltd. All rights reserved.

  18. Semi-analytical Vibration Characteristics of Rotating Timoshenko Beams Made of Functionally Graded Materials

    Directory of Open Access Journals (Sweden)

    Farzad Ebrahimia

    Full Text Available AbstractFree vibration analysis of rotating functionally graded (FG thick Timoshenko beams is presented. The material properties of FG beam vary along the thickness direction of the constituents according to power law model. Governing equations are derived through Hamilton's principle and they are solved applying differential transform method. The good agreement between the results of this article and those available in literature validated the presented approach. The emphasis is placed on investigating the effect of several beam parameters such as constituent volume fractions, slenderness ratios, rotational speed and hub radius on natural frequencies and mode shapes of the rotating thick FG beam.

  19. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    Energy Technology Data Exchange (ETDEWEB)

    Saja, D; Joe, I Hubert; Jayakumar, V S [Department of Physics, Mar Ivanios College, Thiruvananthapuram-695015, Kerala (India)

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA.

  20. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    International Nuclear Information System (INIS)

    Saja, D; Joe, I Hubert; Jayakumar, V S

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA

  1. A test of conformal invariance: Correlation functions on a disk

    International Nuclear Information System (INIS)

    Badke, R.; Rittenberg, V.; Ruegg, H.

    1985-06-01

    Using conformal invariance one can derive the correlation functions of a disk from those in the half-plane. The correlation function in the half-plane is determined by the 'small' conformal invariance up to an unknown function of one variable. By measuring through the Monte Carlo method the correlation function for two different configurations, the unknown function can be eliminated and one obtains a test of conformal invariance. It is shown that the Ising and the three state Potts model pass the test for very small lattices. (orig.)

  2. Correlates of impaired function in older women.

    Science.gov (United States)

    Ensrud, K E; Nevitt, M C; Yunis, C; Cauley, J A; Seeley, D G; Fox, K M; Cummings, S R

    1994-05-01

    To determine the factors associated with impaired function in older women. Cross-sectional analysis of baseline data collected for a multicenter, prospective study of risk factors for osteoporotic fractures. Four clinical centers in Portland, Oregon, Minneapolis, Minnesota, Baltimore, Maryland, and the Monongahela Valley, Pennsylvania. A total of 9,704 ambulatory, non-black women, aged 65 years and older, recruited from population-based listings. Independent variables, including demographic and historical information (medical conditions, health habits, and medications) and physiologic measures (anthropometry, blood pressure, mental status, vision, and neuromuscular performance) were obtained from a baseline questionnaire, interview, and examination. Measurement of function was assessed by self-reported ability to perform six physical and instrumental activities of daily living (ADL) and impaired function (dependent variable) was defined as difficulty performing three or more physical and instrumental ADLs. In order of decreasing strength of association, hip fracture, osteoarthritis, parkinsonism, slower walking speed, lower hip abduction force, back pain, greater Quetelet index, osteoporosis, former alcohol use, stroke, never drinking alcohol, lower mental status, use of anxiolytics and/or sleeping medications, inability to hold the tandem position, postural dizziness, cataracts, greater waist to hip ratio, lower physical activity in the past year, greater lifetime cigarette consumption, and lower grip strength were independently associated with impaired function in multivariate analyses. Age, low educational level, diabetes, current heavy alcohol use, postural hypotension, depth perception, and contrast sensitivity were not independent predictors. A combination of neuromuscular performance measures, including decreased muscle strength and impaired balance and gait, appeared to account for the effect of age on disability. A combination of many factors, including

  3. Functional magnetic resonance imaging of the human spinal cord during vibration stimulation of different dermatomes

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, Jane M. [University Hospital of Zurich, Institute of Neuroradiology, Zurich (Switzerland); University of Manitoba, Department of Physiology, Winnipeg, Manitoba (Canada); Stroman, Patrick W. [Queen' s University, Department of Diagnostic Radiology, Kingston, Ontario (Canada); Kollias, Spyros S. [University Hospital of Zurich, Institute of Neuroradiology, Zurich (Switzerland)

    2008-03-15

    We investigated noninvasively areas of the healthy human spinal cord that become active in response to vibration stimulation of different dermatomes using functional magnetic resonance imaging (fMRI). The objectives of this study were to: (1) examine the patterns of consistent activity in the spinal cord during vibration stimulation of the skin, and (2) investigate the rostrocaudal distribution of active pixels when stimulation was applied to different dermatomes. FMRI of the cervical and lumbar spinal cord of seven healthy human subjects was carried out during vibration stimulation of six different dermatomes. In separate experiments, vibratory stimulation (about 50 Hz) was applied to the right biceps, wrist, palm, patella, Achilles tendon and left palm. The segmental distribution of activity observed by fMRI corresponded well with known spinal cord neuroanatomy. The peak number of active pixels was observed at the expected level of the spinal cord with some activity in the adjacent segments. The rostrocaudal distribution of activity was observed to correspond to the dermatome being stimulated. Cross-sectional localization of activity was primarily in dorsal areas but also spread into ventral and intermediate areas of the gray matter and a distinct laterality ipsilateral to the stimulated limb was not observed. We demonstrated that fMRI can detect a dermatome-dependent pattern of spinal cord activity during vibratory stimulation and can be used as a passive stimulus for the noninvasive assessment of the functional integrity of the human spinal cord. Demonstration of cross-sectional selectivity of the activation awaits further methodological and experimental refinements. (orig.)

  4. Functional magnetic resonance imaging of the human spinal cord during vibration stimulation of different dermatomes

    International Nuclear Information System (INIS)

    Lawrence, Jane M.; Stroman, Patrick W.; Kollias, Spyros S.

    2008-01-01

    We investigated noninvasively areas of the healthy human spinal cord that become active in response to vibration stimulation of different dermatomes using functional magnetic resonance imaging (fMRI). The objectives of this study were to: (1) examine the patterns of consistent activity in the spinal cord during vibration stimulation of the skin, and (2) investigate the rostrocaudal distribution of active pixels when stimulation was applied to different dermatomes. FMRI of the cervical and lumbar spinal cord of seven healthy human subjects was carried out during vibration stimulation of six different dermatomes. In separate experiments, vibratory stimulation (about 50 Hz) was applied to the right biceps, wrist, palm, patella, Achilles tendon and left palm. The segmental distribution of activity observed by fMRI corresponded well with known spinal cord neuroanatomy. The peak number of active pixels was observed at the expected level of the spinal cord with some activity in the adjacent segments. The rostrocaudal distribution of activity was observed to correspond to the dermatome being stimulated. Cross-sectional localization of activity was primarily in dorsal areas but also spread into ventral and intermediate areas of the gray matter and a distinct laterality ipsilateral to the stimulated limb was not observed. We demonstrated that fMRI can detect a dermatome-dependent pattern of spinal cord activity during vibratory stimulation and can be used as a passive stimulus for the noninvasive assessment of the functional integrity of the human spinal cord. Demonstration of cross-sectional selectivity of the activation awaits further methodological and experimental refinements. (orig.)

  5. On the application of correlation function matrices in OMA

    DEFF Research Database (Denmark)

    Brincker, Rune

    2017-01-01

    In this paper the theoretical solution for the correlation function matrix of the random response of a structural system is re-visited. It is shown that using the classical definition of the correlation functions, the row space is defined by the mode shapes of the system, whereas the column space...

  6. Correlation function of gravitational deflection angles of light paths

    International Nuclear Information System (INIS)

    Watanabe, Kazuya; Tomita, Kenji.

    1990-04-01

    The correlation function of gravitational deflection angles of light paths is investigated in a simplified cosmological model universe. Under several reasonable assumptions, an analytic formula for the correlation function is derived. The implication to the cosmic microwave background anisotropy and the distance defined by the observed angular (linear) scale of a source is also discussed. (author)

  7. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    Science.gov (United States)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  8. Cumulant approach to dynamical correlation functions at finite temperatures

    International Nuclear Information System (INIS)

    Tran Minhtien.

    1993-11-01

    A new theoretical approach, based on the introduction of cumulants, to calculate thermodynamic averages and dynamical correlation functions at finite temperatures is developed. The method is formulated in Liouville instead of Hilbert space and can be applied to operators which do not require to satisfy fermion or boson commutation relations. The application of the partitioning and projection methods for the dynamical correlation functions is discussed. The present method can be applied to weakly as well as to strongly correlated systems. (author). 9 refs

  9. Correlation functions in first-order phase transitions

    Science.gov (United States)

    Garrido, V.; Crespo, D.

    1997-09-01

    Most of the physical properties of systems underlying first-order phase transitions can be obtained from the spatial correlation functions. In this paper, we obtain expressions that allow us to calculate all the correlation functions from the droplet size distribution. Nucleation and growth kinetics is considered, and exact solutions are obtained for the case of isotropic growth by using self-similarity properties. The calculation is performed by using the particle size distribution obtained by a recently developed model (populational Kolmogorov-Johnson-Mehl-Avrami model). Since this model is less restrictive than that used in previously existing theories, the result is that the correlation functions can be obtained for any dependence of the kinetic parameters. The validity of the method is tested by comparison with the exact correlation functions, which had been obtained in the available cases by the time-cone method. Finally, the correlation functions corresponding to the microstructure developed in partitioning transformations are obtained.

  10. Correlation function behavior in quantum systems which are classically chaotic

    International Nuclear Information System (INIS)

    Berman, G.P.; Kolovsky, A.R.

    1983-01-01

    The time behavior of a phase correlation function for dynamical quantum systems which are classically chaotic is considered. It is shown that under certain conditions there are three time regions of the quantum correlations behavior; the region of classical stochasticity (exponential decay of quantum correlations); the region of the correlations decay with a power law; the region of the constant level of the quantum correlations. The boundaries of these time regions are presented. The estimation of a remaining level of the quantum correlations is given. (orig.)

  11. Size-dependent vibrations of post-buckled functionally graded Mindlin rectangular microplates

    Directory of Open Access Journals (Sweden)

    R. Ansari

    Full Text Available In this paper, the free vibration behavior of post-buckled functionally graded (FG Mindlin rectangular microplates are described based on the modified couple stress theory (MCST. This theory enables the consideration of the size-effect through introducing material length scale parameters. The FG microplates made of a mixture of metal and ceramic are considered whose volume fraction of components is expressed by a power law function. By means of Hamilton's principle, the nonlinear governing equations and associated boundary conditions are derived for FG micro-plates in the postbuckling domain. The governing equations and boundary conditions are then discretized by using the generalized differential quadrature (GDQ method before solving numerically by the pseudo-arclength continuation technique. In the solution procedure, the postbuckling problem of microplates is investigated first. Afterwards, the free vibration of microplates around the buckled configuration is discussed. The effects of dimensionless length scale parameter, material gradient index and aspect ratio on the on the postbuckling path and frequency of FG microplates subject to arbitrary edge supports are thoroughly discussed.

  12. Holographic correlation functions in Critical Gravity

    Science.gov (United States)

    Anastasiou, Giorgos; Olea, Rodrigo

    2017-11-01

    We compute the holographic stress tensor and the logarithmic energy-momentum tensor of Einstein-Weyl gravity at the critical point. This computation is carried out performing a holographic expansion in a bulk action supplemented by the Gauss-Bonnet term with a fixed coupling. The renormalization scheme defined by the addition of this topological term has the remarkable feature that all Einstein modes are identically cancelled both from the action and its variation. Thus, what remains comes from a nonvanishing Bach tensor, which accounts for non-Einstein modes associated to logarithmic terms which appear in the expansion of the metric. In particular, we compute the holographic 1-point functions for a generic boundary geometric source.

  13. Influence of lattice vibrations on the field driven electronic transport in chains with correlated disorder

    Science.gov (United States)

    da Silva, L. D.; Sales, M. O.; Ranciaro Neto, A.; Lyra, M. L.; de Moura, F. A. B. F.

    2016-12-01

    We investigate electronic transport in a one-dimensional model with four different types of atoms and long-ranged correlated disorder. The latter was attained by choosing an adequate distribution of on-site energies. The wave-packet dynamics is followed by taking into account effects due to a static electric field and electron-phonon coupling. In the absence of electron-phonon coupling, the competition between correlated disorder and the static electric field promotes the occurrence of wave-packet oscillations in the regime of strong correlations. When the electron-lattice coupling is switched on, phonon scattering degrades the Bloch oscillations. For weak electron-phonon couplings, a coherent oscillatory-like dynamics of the wave-packet centroid persists for short periods of time. For strong couplings the wave-packet acquires a diffusive-like displacement and spreading. A slower sub-diffusive spreading takes place in the regime of weak correlations.

  14. Correlation Functions in Open Quantum-Classical Systems

    OpenAIRE

    Hsieh, Chang-Yu; Kapral, Raymond

    2013-01-01

    Quantum time correlation functions are often the principal objects of interest in experimental investigations of the dynamics of quantum systems. For instance, transport properties, such as diffusion and reaction rate coefficients, can be obtained by integrating these functions. The evaluation of such correlation functions entails sampling from quantum equilibrium density operators and quantum time evolution of operators. For condensed phase and complex systems, where quantum dynamics is diff...

  15. Psychological correlates of functional hypothalamic amenorrhea.

    Science.gov (United States)

    Marcus, M D; Loucks, T L; Berga, S L

    2001-08-01

    To determine whether mood, attitudes, or symptoms of disordered eating discriminated women with functional hypothalamic amenorrhea (FHA) from those with organic causes of amenorrhea and eumenorrhea. Cross-sectional comparison of women with FHA, women with organic amenorrhea, and eumenorrheic control women. Clinical research center in an academic medical institution. Seventy-seven women > or =18 years old with time since menarche > or =5 and < or =25 years were recruited by advertisement. Ovulation was confirmed in eumenorrheic control women. Causes of anovulation were carefully documented in amenorrheic participants and LH pulse profiles were obtained to document the diagnosis of FHA. All participants were interviewed and completed questionnaires. Self-report measures of dysfunctional attitudes, coping styles, and symptoms of depression and eating disorders. Women with FHA reported more depressive symptoms and dysfunctional attitudes than did eumenorrheic women, but not significantly more than women with organic amenorrhea. However, women with FHA reported significantly more symptoms of disordered eating than did either anovulatory or ovulatory women. The findings are consistent with the hypothesis that FHA is precipitated by a combination of psychosocial stressors and metabolic challenge.

  16. The effects of hypergravity and substrate vibration on vestibular function in developing chickens.

    Science.gov (United States)

    Jones, S M; Warren, L E; Shukla, R; Browning, A; Fuller, C A; Jones, T A

    2000-12-01

    We used linear vestibular evoked potentials (VsEPs) to characterize peripheral and central vestibular function in birds following embryogenesis at 2G centrifugation or at elevated levels of vibration (+20dB re: background levels). Additionally, we characterized peripheral and central vestibular adaptation to 2G centrifugation in early post-hatch birds. Linear VsEP response peak latencies, amplitudes, thresholds and input/output functions were quantified and compared between experimental and control animals. Birds vibrated throughout embryogenesis and up to one-week post-hatch revealed no changes in linear VsEP response components compared to control siblings. Birds centrifuged at 2G throughout embryogenesis also evidenced no changes in the linear VsEP measured at hatch (P0). Significant changes were seen, however, for linear VsEPs of post-hatch birds placed at 2G for 7 days beginning on post-hatch day 5. Linear VsEPs for these animals displayed significant reductions in response amplitudes associated with peaks P2, N2 and P3, response peaks generated by central neural relays of gravity receptors. The earliest response components, generated by the peripheral vestibular nerve (i.e., P1, N1), were not significantly altered with the 7-day exposure to 2G. Thus, there was no evidence of generalized changes in peripheral gravity receptor excitability or in the rate of maturation in developing animals under increased levels of gravity or vibration. If gravity level plays a critical role in shaping peripheral vestibular ontogeny at magnitudes between 1 and 2G, then it may serve to stabilize function under changing G-fields or it may operate on physiological features that can not be resolved by the VsEP. In contrast, exposure to elevated gravity during post-hatch periods does alter central vestibular function thus providing direct evidence for central vestibular adaptation to the gravitational environment. The fact that central functional change was observed in hatchlings

  17. Interplay of quasiparticle-vibration coupling and pairing correlations on β-decay half-lives

    Science.gov (United States)

    Niu, Y. F.; Niu, Z. M.; Colò, G.; Vigezzi, E.

    2018-05-01

    The nuclear β-decay half-lives of Ni and Sn isotopes, around the closed shell nuclei 78Ni and 132Sn, are investigated by computing the distribution of the Gamow-Teller strength using the Quasiparticle Random Phase Approximation (QRPA) with quasiparticle-vibration coupling (QPVC), based on ground-state properties obtained by Hartree-Fock-Bogoliubov (HFB) calculations. We employ the effective interaction SkM* and a zero-range effective pairing force. The half-lives are strongly reduced by including the QPVC. We study in detail the effects of isovector (IV) and isoscalar (IS) pairing. Increasing the IV strength tends to increase the lifetime for nuclei in the proximity of, but lighter than, the closed-shell ones in QRPA calculations, while the effect is significantly reduced by taking into account the QPVC. On the contrary, the IS pairing mainly plays a role for nuclei after the shell closure. Increasing its strength decreases the half-lives, and the effect at QRPA and QRPA+QPVC level is comparable. The effect of IS pairing is particularly pronounced in the case of the Sn isotopes, where it turns out to be instrumental to obtain good agreement with experimental data.

  18. Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

    Science.gov (United States)

    Borah, Mukunda Madhab; Devi, Th. Gomti

    2018-06-01

    The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

  19. Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

    Science.gov (United States)

    Sert, Y.; Ucun, F.

    2013-08-01

    In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

  20. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions. (a...

  1. Free vibration analysis of multi directional functionally graded circular and annular plates

    Energy Technology Data Exchange (ETDEWEB)

    Kermani, Iman Davoodi; Ghayour, Mostafa; Mirdamadi, Hamid Reza [Isfahan Univ. of Technology, Isfahan (Iran, Islamic Republic of)

    2012-11-15

    This paper addresses the free vibration of multi directional functionally graded circular and annular plates using a semianalytical/numerical method, called state space based differential quadrature method. Three-dimensional elasticity equations are derived for multi directional functionally graded plates and a solution is given by the semi-analytical/numerical method. This method gives an analytical solution along the thickness direction, using a state space method and a numerical solution using differential quadrature method. Some numerical examples are presented to show the accuracy and convergence of the method. The most of simulations of the present study have been validated by the existing literature. The non dimensional frequencies and corresponding displacements mode shapes are obtained. Then the influences of thickness ratio and graded indexes are demonstrated on the non dimensional natural frequencies.

  2. Free vibration of fully functionally graded carbon nanotube reinforced graphite/epoxy laminates

    Science.gov (United States)

    Kuo, Shih-Yao

    2018-03-01

    This study provides the first-known vibration analysis of fully functionally graded carbon nanotube reinforced hybrid composite (FFG-CNTRHC) laminates. CNTs are non-uniformly distributed to reinforce the graphite/epoxy laminates. Some CNT distribution functions in the plane and thickness directions are proposed to more efficiently increase the stiffening effect. The rule of mixtures is modified by considering the non-homogeneous material properties of FFG-CNTRHC laminates. The formulation of the location dependent stiffness matrix and mass matrix is derived. The effects of CNT volume fraction and distribution on the natural frequencies of FFG-CNTRHC laminates are discussed. The results reveal that the FFG layout may significantly increase the natural frequencies of FFG-CNTRHC laminate.

  3. Vibrational Spectroscopy as a Promising Toolbox for Analyzing Functionalized Ceramic Membranes.

    Science.gov (United States)

    Kiefer, Johannes; Bartels, Julia; Kroll, Stephen; Rezwan, Kurosch

    2018-01-01

    Ceramic materials find use in many fields including the life sciences and environmental engineering. For example, ceramic membranes have shown to be promising filters for water treatment and virus retention. The analysis of such materials, however, remains challenging. In the present study, the potential of three vibrational spectroscopic methods for characterizing functionalized ceramic membranes for water treatment is evaluated. For this purpose, Raman scattering, infrared (IR) absorption, and solvent infrared spectroscopy (SIRS) were employed. The data were analyzed with respect to spectral changes as well as using principal component analysis (PCA). The Raman spectra allow an unambiguous discrimination of the sample types. The IR spectra do not change systematically with functionalization state of the material. Solvent infrared spectroscopy allows a systematic distinction and enables studying the molecular interactions between the membrane surface and the solvent.

  4. Using cross correlations of turbulent flow-induced ambient vibrations to estimate the structural impulse response. Application to structural health monitoring.

    Science.gov (United States)

    Sabra, Karim G; Winkel, Eric S; Bourgoyne, Dwayne A; Elbing, Brian R; Ceccio, Steve L; Perlin, Marc; Dowling, David R

    2007-04-01

    It has been demonstrated theoretically and experimentally that an estimate of the impulse response (or Green's function) between two receivers can be obtained from the cross correlation of diffuse wave fields at these two receivers in various environments and frequency ranges: ultrasonics, civil engineering, underwater acoustics, and seismology. This result provides a means for structural monitoring using ambient structure-borne noise only, without the use of active sources. This paper presents experimental results obtained from flow-induced random vibration data recorded by pairs of accelerometers mounted within a flat plate or hydrofoil in the test section of the U.S. Navy's William B. Morgan Large Cavitation Channel. The experiments were conducted at high Reynolds number (Re > 50 million) with the primary excitation source being turbulent boundary layer pressure fluctuations on the upper and lower surfaces of the plate or foil. Identical deterministic time signatures emerge from the noise cross-correlation function computed via robust and simple processing of noise measured on different days by a pair of passive sensors. These time signatures are used to determine and/or monitor the structural response of the test models from a few hundred to a few thousand Hertz.

  5. Understanding volatility correlation behavior with a magnitude cross-correlation function

    Science.gov (United States)

    Jun, Woo Cheol; Oh, Gabjin; Kim, Seunghwan

    2006-06-01

    We propose an approach for analyzing the basic relation between correlation properties of the original signal and its magnitude fluctuations by decomposing the original signal into its positive and negative fluctuation components. We use this relation to understand the following phenomenon found in many naturally occurring time series: the magnitude of the signal exhibits long-range correlation, whereas the original signal is short-range correlated. The applications of our approach to heart rate variability signals and high-frequency foreign exchange rates reveal that the difference between the correlation properties of the original signal and its magnitude fluctuations is induced by the time organization structure of the correlation function between the magnitude fluctuations of positive and negative components. We show that this correlation function can be described well by a stretched-exponential function and is related to the nonlinearity and the multifractal structure of the signals.

  6. Understanding volatility correlation behavior with a magnitude cross-correlation function.

    Science.gov (United States)

    Jun, Woo Cheol; Oh, Gabjin; Kim, Seunghwan

    2006-06-01

    We propose an approach for analyzing the basic relation between correlation properties of the original signal and its magnitude fluctuations by decomposing the original signal into its positive and negative fluctuation components. We use this relation to understand the following phenomenon found in many naturally occurring time series: the magnitude of the signal exhibits long-range correlation, whereas the original signal is short-range correlated. The applications of our approach to heart rate variability signals and high-frequency foreign exchange rates reveal that the difference between the correlation properties of the original signal and its magnitude fluctuations is induced by the time organization structure of the correlation function between the magnitude fluctuations of positive and negative components. We show that this correlation function can be described well by a stretched-exponential function and is related to the nonlinearity and the multifractal structure of the signals.

  7. Self-calibrated correlation imaging with k-space variant correlation functions.

    Science.gov (United States)

    Li, Yu; Edalati, Masoud; Du, Xingfu; Wang, Hui; Cao, Jie J

    2018-03-01

    Correlation imaging is a previously developed high-speed MRI framework that converts parallel imaging reconstruction into the estimate of correlation functions. The presented work aims to demonstrate this framework can provide a speed gain over parallel imaging by estimating k-space variant correlation functions. Because of Fourier encoding with gradients, outer k-space data contain higher spatial-frequency image components arising primarily from tissue boundaries. As a result of tissue-boundary sparsity in the human anatomy, neighboring k-space data correlation varies from the central to the outer k-space. By estimating k-space variant correlation functions with an iterative self-calibration method, correlation imaging can benefit from neighboring k-space data correlation associated with both coil sensitivity encoding and tissue-boundary sparsity, thereby providing a speed gain over parallel imaging that relies only on coil sensitivity encoding. This new approach is investigated in brain imaging and free-breathing neonatal cardiac imaging. Correlation imaging performs better than existing parallel imaging techniques in simulated brain imaging acceleration experiments. The higher speed enables real-time data acquisition for neonatal cardiac imaging in which physiological motion is fast and non-periodic. With k-space variant correlation functions, correlation imaging gives a higher speed than parallel imaging and offers the potential to image physiological motion in real-time. Magn Reson Med 79:1483-1494, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  8. FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone

    Science.gov (United States)

    Mariappan, G.; Sundaraganesan, N.

    2014-04-01

    Vibrational assignments for the 7-amino-2-methylchromone (abbreviated as 7A2MC) molecule using a combination of experimental vibrational spectroscopic measurements and ab initio computational methods are reported. The optimized geometry, intermolecular hydrogen bonding, first order hyperpolarizability and harmonic vibrational wavenumbers of 7A2MC have been investigated with the help of B3LYP density functional theory method. The calculated molecular geometry parameters, the theoretically computed vibrational frequencies for monomer and dimer and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-31 + G(d,p) basis set were found to yield results that are very comparable to experimental IR and Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program. Natural Bond Orbital (NBO) study revealed the characteristics of the electronic delocalization of the molecular structure. 13C and 1H NMR spectra have been recorded and 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method. Furthermore, All the possible calculated values are analyzed using correlation coefficients linear fitting equation and are shown strong correlation with the experimental data.

  9. Rotational Invariance of the 2d Spin - Spin Correlation Function

    Science.gov (United States)

    Pinson, Haru

    2012-09-01

    At the critical temperature in the 2d Ising model on the square lattice, we establish the rotational invariance of the spin-spin correlation function using the asymptotics of the spin-spin correlation function along special directions (McCoy and Wu in the two dimensional Ising model. Harvard University Press, Cambridge, 1973) and the finite difference Hirota equation for which the spin-spin correlation function is shown to satisfy (Perk in Phys Lett A 79:3-5, 1980; Perk in Proceedings of III international symposium on selected topics in statistical mechanics, Dubna, August 22-26, 1984, JINR, vol II, pp 138-151, 1985).

  10. Lifetime information from correlation functions selected by directional cuts

    International Nuclear Information System (INIS)

    Gelbke, C.K.

    1995-01-01

    Two-particle correlation functions provide information on the space-time characteristics of the emitting source. In many cases, ambiguities of the relative magnitudes of source radius and lifetime can be reduced by analysis of correlation functions evaluated for specific directional cuts on the relative velocity of the coincident particle pair. Information on non-spherical breakup geometries is more difficult to extract. Examples of two-proton correlation functions in which directional cuts are employed to reduce existing space-time ambiguities for the emitting system are presented. (author). 50 refs., 10 figs

  11. Strong Correlation in Kohn-Sham Density Functional Theory

    NARCIS (Netherlands)

    Malet, F.; Gori Giorgi, P.

    2012-01-01

    We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly nonlocal density functional whose functional derivative can be easily constructed,

  12. Whole-body vibration improves cognitive functions of an adult with ADHD.

    Science.gov (United States)

    Fuermaier, Anselm B M; Tucha, Lara; Koerts, Janneke; van den Bos, Meinris; Regterschot, G Ruben H; Zeinstra, Edzard B; van Heuvelen, Marieke J G; van der Zee, Eddy A; Lange, Klaus W; Tucha, Oliver

    2014-09-01

    Adult attention deficit hyperactivity disorder (ADHD) is associated with a variety of cognitive impairments, which were shown to affect academic achievement and quality of life. Current treatment strategies, such as stimulant drug treatment, were demonstrated to effectively improve cognitive functions of patients with ADHD. However, most treatment strategies are associated with a number of disadvantages in a considerable proportion of patients, such as unsatisfactory effects, adverse clinical side effects or high financial costs. In order to address limitations of current treatment strategies, whole-body vibration (WBV) might represent a novel approach to treat cognitive dysfunctions of patients with ADHD. WBV refers to the exposure of the whole body of an individual to vibration and was found to affect physiology and cognition. In the present study, WBV was applied on 10 consecutive days to an adult diagnosed with ADHD. Neuropsychological assessments were performed repeatedly at three different times, i.e., the day before the start of the treatment, on the day following completion of treatment and 14 days after the treatment have been completed (follow-up). An improved neuropsychological test performance following WBV treatment points to the high clinical value of WBV in treating patients with neuropsychological impairments such as ADHD.

  13. Calculated rotational and vibrational g factors of LiH X 1S+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Paidarová, Ivana; Oddershede, Jens

    2011-01-01

    The vibrational g factor, that is, the nonadiabatic correction to the vibrational reduced mass, of LiH has been calculated for internuclear distances over a wide range. Based on multiconfigurational wave functions with a large complete active space and an extended set of gaussian type basis...

  14. Effects of a whole body vibration training program on strength, power, and functional tests in the physically active elderly

    Directory of Open Access Journals (Sweden)

    Renata Gonçalves da Silva

    2009-04-01

    Full Text Available The aim of this study was to investigate the effect of a whole body vibration training program on knee extensor isokinetic peak torque, average power, and functional tests in the physically active elderly. Forty-seven subjects, who participated in a training program for the elderly, were recruited. The subjects were divided into two groups: whole body vibration group (WBV (n=24, 70.7±5.8 years, 62.7±12.3 kg and 155.9±8.0 cm and control group (n=23. 70.0±5.7 years, 65.3±10.7 kg and 157.9±6.6 cm. The WBS group underwent whole body vibration exercise and their regular training program for 13 weeks, 2 times per week, whereas the control group performed the regular training program only. Whole body vibration training was not effective in increasing isokinetic peak torque, average power, or performance in the functional tests. On the other hand, the regular training program was effective in increasing elbow flexor strength endurance, distance covered in the 6-min walk test, and speed in the timed up and go test. The results suggest that vibration training is not effective in modifying functionality or muscle strength and power in the physically active elderly.

  15. Universality of correlation functions in random matrix models of QCD

    International Nuclear Information System (INIS)

    Jackson, A.D.; Sener, M.K.; Verbaarschot, J.J.M.

    1997-01-01

    We demonstrate the universality of the spectral correlation functions of a QCD inspired random matrix model that consists of a random part having the chiral structure of the QCD Dirac operator and a deterministic part which describes a schematic temperature dependence. We calculate the correlation functions analytically using the technique of Itzykson-Zuber integrals for arbitrary complex supermatrices. An alternative exact calculation for arbitrary matrix size is given for the special case of zero temperature, and we reproduce the well-known Laguerre kernel. At finite temperature, the microscopic limit of the correlation functions are calculated in the saddle-point approximation. The main result of this paper is that the microscopic universality of correlation functions is maintained even though unitary invariance is broken by the addition of a deterministic matrix to the ensemble. (orig.)

  16. Correlation between cognitive function, gross motor skills and health â

    African Journals Online (AJOL)

    Saly Said Abd El-Hady

    ... attention and concentration, learning, memory and language that can result in mild to profound ... adulthood and affect health related quality of life (HRQOL) and wellbeing in ... investigate the correlation between cognitive function; attention/-.

  17. The correlation function for density perturbations in an expanding universe. IV - The evolution of the correlation function. [galaxy distribution

    Science.gov (United States)

    Mcclelland, J.; Silk, J.

    1979-01-01

    The evolution of the two-point correlation function for the large-scale distribution of galaxies in an expanding universe is studied on the assumption that the perturbation densities lie in a Gaussian distribution centered on any given mass scale. The perturbations are evolved according to the Friedmann equation, and the correlation function for the resulting distribution of perturbations at the present epoch is calculated. It is found that: (1) the computed correlation function gives a satisfactory fit to the observed function in cosmological models with a density parameter (Omega) of approximately unity, provided that a certain free parameter is suitably adjusted; (2) the power-law slope in the nonlinear regime reflects the initial fluctuation spectrum, provided that the density profile of individual perturbations declines more rapidly than the -2.4 power of distance; and (3) both positive and negative contributions to the correlation function are predicted for cosmological models with Omega less than unity.

  18. Application of vibrational correlation formalism to internal conversion rate: Case study of Cun (n = 3, 6, and 9) and H2/Cu3

    International Nuclear Information System (INIS)

    Chiodo, Sandro Giuseppe; Mineva, Tzonka

    2015-01-01

    This work reports non-radiative internal conversion (IC) rate constants obtained for Cu n with n = 3, 6, and 9 and H 2 on Cu 3 . The Time-Dependent Density Functional Theory (TDDFT) method was employed with three different functionals in order to investigate the electronic structures and the absorption spectra. The performance of the generalized gradient approximation of Perdew, Burke and Ernzerhof (PBE) and the hybrid B3LYP and PBE0 exchange correlation functionals in combination with the SVP and the def2-TZVP basis sets was examined. TDDFT results were used as input data to compute internal conversion rate constants. For this purpose, we have developed a program package. A description of the theoretical background used in our numerical implementation and the program input file is presented. In view of future applications of this program package in photoinduced catalysis, we present the analysis of the IC rate processes for the photodissociation of H 2 on Cu 3 . These results showed the applicability of the method and the computational program to identify the vibrational modes in transition metal clusters giving rise to the largest IC rate constant due to their interactions with the excited electronic states occurring in the hot-electron induced dissociation phenomena

  19. Correlation functions for Hermitian many-body systems: Necessary conditions

    International Nuclear Information System (INIS)

    Brown, E.B.

    1994-01-01

    Lee [Phys. Rev. B 47, 8293 (1993)] has shown that the odd-numbered derivatives of the Kubo autocorrelation function vanish at t=0. We show that this condition is based on a more general property of nondiagonal Kubo correlation functions. This general property provides that certain functional forms (e.g., simple exponential decay) are not admissible for any symmetric or antisymmetric Kubo correlation function in a Hermitian many-body system. Lee's result emerges as a special case of this result. Applications to translationally invariant systems and systems with rotational symmetries are also demonstrated

  20. Pull-in behavior analysis of vibrating functionally graded micro-cantilevers under suddenly DC voltage

    Directory of Open Access Journals (Sweden)

    Jamal Zare

    2015-01-01

    Full Text Available The present research attempts to explain dynamic pull-in instability of functionally graded micro-cantilevers actuated by step DC voltage while the fringing-field effect is taken into account in the vibrational equation of motion. By employing modern asymptotic approach namely Homotopy Perturbation Method with an auxiliary term, high-order frequency-amplitude relation is obtained, then the influences of material properties and actuation voltage on dynamic pull-in behavior are investigated. It is demonstrated that the auxiliary term in the homotopy perturbation method is extremely effective for higher order approximation and two terms in series expansions are sufficient to produce an acceptable solution. The strength of this analytical procedure is verified through comparison with numerical results.

  1. Structural and functional cerebral correlates of hypnotic suggestibility.

    Directory of Open Access Journals (Sweden)

    Alexa Huber

    Full Text Available Little is known about the neural bases of hypnotic suggestibility, a cognitive trait referring to the tendency to respond to hypnotic suggestions. In the present magnetic resonance imaging study, we performed regression analyses to assess hypnotic suggestibility-related differences in local gray matter volume, using voxel-based morphometry, and in waking resting state functional connectivity of 10 resting state networks, in 37 healthy women. Hypnotic suggestibility was positively correlated with gray matter volume in portions of the left superior and medial frontal gyri, roughly overlapping with the supplementary and pre-supplementary motor area, and negatively correlated with gray matter volume in the left superior temporal gyrus and insula. In the functional connectivity analysis, hypnotic suggestibility was positively correlated with functional connectivity between medial posterior areas, including bilateral posterior cingulate cortex and precuneus, and both the lateral visual network and the left fronto-parietal network; a positive correlation was also found with functional connectivity between the executive-control network and a right postcentral/parietal area. In contrast, hypnotic suggestibility was negatively correlated with functional connectivity between the right fronto-parietal network and the right lateral thalamus. These findings demonstrate for the first time a correlation between hypnotic suggestibility, the structural features of specific cortical regions, and the functional connectivity during the normal resting state of brain structures involved in imagery and self-monitoring activity.

  2. Structural and functional cerebral correlates of hypnotic suggestibility.

    Science.gov (United States)

    Huber, Alexa; Lui, Fausta; Duzzi, Davide; Pagnoni, Giuseppe; Porro, Carlo Adolfo

    2014-01-01

    Little is known about the neural bases of hypnotic suggestibility, a cognitive trait referring to the tendency to respond to hypnotic suggestions. In the present magnetic resonance imaging study, we performed regression analyses to assess hypnotic suggestibility-related differences in local gray matter volume, using voxel-based morphometry, and in waking resting state functional connectivity of 10 resting state networks, in 37 healthy women. Hypnotic suggestibility was positively correlated with gray matter volume in portions of the left superior and medial frontal gyri, roughly overlapping with the supplementary and pre-supplementary motor area, and negatively correlated with gray matter volume in the left superior temporal gyrus and insula. In the functional connectivity analysis, hypnotic suggestibility was positively correlated with functional connectivity between medial posterior areas, including bilateral posterior cingulate cortex and precuneus, and both the lateral visual network and the left fronto-parietal network; a positive correlation was also found with functional connectivity between the executive-control network and a right postcentral/parietal area. In contrast, hypnotic suggestibility was negatively correlated with functional connectivity between the right fronto-parietal network and the right lateral thalamus. These findings demonstrate for the first time a correlation between hypnotic suggestibility, the structural features of specific cortical regions, and the functional connectivity during the normal resting state of brain structures involved in imagery and self-monitoring activity.

  3. Three-dimensional free vibration of functionally graded truncated conical shells subjected to thermal environment

    Energy Technology Data Exchange (ETDEWEB)

    Malekzadeh, P., E-mail: p_malekz@yahoo.com [Department of Mechanical Engineering, Persian Gulf University, Bushehr 75168 (Iran, Islamic Republic of); Fiouz, A.R.; Sobhrouyan, M. [Department of Civil Engineering, Persian Gulf University, Bushehr 75168 (Iran, Islamic Republic of)

    2012-01-15

    A three-dimensional (3D) free vibration analysis of the functionally graded (FG) truncated conical shells subjected to thermal environment is presented. The material properties are assumed to be temperature-dependent and graded in the radius direction, which can vary according to a simple power law distribution. The initial thermal stresses are obtained accurately by solving the thermoelastic equilibrium equations and by considering the two-dimensional axisymmetric temperature distribution in the shell. The differential quadrature method (DQM) as an efficient and accurate numerical tool is adopted to solve the thermal and thermo-mechanical governing equations. For this purpose, a mapping technique is employed to transform the cross section of the shell into the computational domain of DQM. The convergence behavior of the method is numerically demonstrated and comparison studies with the available solutions in the literature are performed. The effects of temperature dependence of material properties, geometrical parameters, material graded index, thermal and mechanical boundary conditions on the frequency parameters of the FG truncated conical shells are carried out. - Highlights: Black-Right-Pointing-Pointer 3D free vibration analysis of the functionally graded truncated conical shells is presented. Black-Right-Pointing-Pointer Two-dimensional axisymmetric temperature distribution in the shell is assumed. Black-Right-Pointing-Pointer The material properties are assumed to be temperature-dependent. Black-Right-Pointing-Pointer Initial thermal stresses due to thermal environment are evaluated accurately and included. Black-Right-Pointing-Pointer Representing the effects of different parameters on the non-dimensional frequencies.

  4. Efficient quantum algorithm for computing n-time correlation functions.

    Science.gov (United States)

    Pedernales, J S; Di Candia, R; Egusquiza, I L; Casanova, J; Solano, E

    2014-07-11

    We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for probe and control tasks. For spinorial and fermionic systems, the reconstruction of arbitrary n-time correlation functions requires the measurement of two ancilla observables, while for bosonic variables time derivatives of the same observables are needed. Finally, we provide examples applicable to different quantum platforms in the frame of the linear response theory.

  5. Liquid ammonia: Molecular correlation functions from x-ray diffraction

    International Nuclear Information System (INIS)

    Narten, A.H.

    1977-01-01

    For nearly spherical molecules the x-ray scattering from liquids yields structure and correlation functions for molecular centers. The distribution of electron density in an ammonia molecular is very nearly spherical, and orientational correlation between molecules in the liquid is not ''seen'' by x rays. Structure and correlation functions for molecular centers (nitrogen atoms) are derived from x-ray data on liquid NH 3 at 4 degreeC and tabulated. They provide a sensitive test for future work on a molecular theory of liquid ammonia

  6. Using frequency response functions to manage image degradation from equipment vibration in the Daniel K. Inouye Solar Telescope

    Science.gov (United States)

    McBride, William R.; McBride, Daniel R.

    2016-08-01

    The Daniel K Inouye Solar Telescope (DKIST) will be the largest solar telescope in the world, providing a significant increase in the resolution of solar data available to the scientific community. Vibration mitigation is critical in long focal-length telescopes such as the Inouye Solar Telescope, especially when adaptive optics are employed to correct for atmospheric seeing. For this reason, a vibration error budget has been implemented. Initially, the FRFs for the various mounting points of ancillary equipment were estimated using the finite element analysis (FEA) of the telescope structures. FEA analysis is well documented and understood; the focus of this paper is on the methods involved in estimating a set of experimental (measured) transfer functions of the as-built telescope structure for the purpose of vibration management. Techniques to measure low-frequency single-input-single-output (SISO) frequency response functions (FRF) between vibration source locations and image motion on the focal plane are described. The measurement equipment includes an instrumented inertial-mass shaker capable of operation down to 4 Hz along with seismic accelerometers. The measurement of vibration at frequencies below 10 Hz with good signal-to-noise ratio (SNR) requires several noise reduction techniques including high-performance windows, noise-averaging, tracking filters, and spectral estimation. These signal-processing techniques are described in detail.

  7. Conformational and vibrational analysis of 5-hydroxy 2-nitrobenzaldehyde by AB initio hartree-fock, density functional theory calculations

    International Nuclear Information System (INIS)

    Cinakli, S.; Sert, Y.; Boeyuekata, M.; Ucun, F.

    2010-01-01

    The vibrational spectra of benzaldehyde and its derivatives have been studied earlier. The substitution of a functional group changes the spectra markedly. Recent spectroscopic studies of the benzaldehyde and their derivatives have been motivated because the vibrational spectra are very useful for understanding of specific biological process and in the analysis of relatively complex systems. The optimized molecular structure, vibrational frequencies and corresponding vibrational assignments, the total energy calculations, relative energies, the mean vibrational deviations of the two planar O-cis and O-trans roomers of 5-Hydroxy 2-nitrobenzaldehydes have been calculated using ab initio Hartree Fock (HF) and Density Functional Theory (B3LYP) with 6-311++G(d,p) basis set. All computations have been performed on personal computer using the Gaussian 03 program package. The calculations were adapted to Cs symmetries of all the molecules. The O-trans rotomers with lower energy of all the molecules have been found as preferential rotomers in the ground state.

  8. Contribution to viscosity from the structural relaxation via the atomic scale Green-Kubo stress correlation function

    Science.gov (United States)

    Levashov, V. A.

    2017-11-01

    We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our current results suggest, as our previous observations, that in the supercooled liquid regime, the vibrational contribution to viscosity extends over the times that are much larger than the Einstein's vibrational period and much larger than the times that it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.

  9. Universal Spatial Correlation Functions for Describing and Reconstructing Soil Microstructure

    Science.gov (United States)

    Skvortsova, Elena B.; Mallants, Dirk

    2015-01-01

    Structural features of porous materials such as soil define the majority of its physical properties, including water infiltration and redistribution, multi-phase flow (e.g. simultaneous water/air flow, or gas exchange between biologically active soil root zone and atmosphere) and solute transport. To characterize soil microstructure, conventional soil science uses such metrics as pore size and pore-size distributions and thin section-derived morphological indicators. However, these descriptors provide only limited amount of information about the complex arrangement of soil structure and have limited capability to reconstruct structural features or predict physical properties. We introduce three different spatial correlation functions as a comprehensive tool to characterize soil microstructure: 1) two-point probability functions, 2) linear functions, and 3) two-point cluster functions. This novel approach was tested on thin-sections (2.21×2.21 cm2) representing eight soils with different pore space configurations. The two-point probability and linear correlation functions were subsequently used as a part of simulated annealing optimization procedures to reconstruct soil structure. Comparison of original and reconstructed images was based on morphological characteristics, cluster correlation functions, total number of pores and pore-size distribution. Results showed excellent agreement for soils with isolated pores, but relatively poor correspondence for soils exhibiting dual-porosity features (i.e. superposition of pores and micro-cracks). Insufficient information content in the correlation function sets used for reconstruction may have contributed to the observed discrepancies. Improved reconstructions may be obtained by adding cluster and other correlation functions into reconstruction sets. Correlation functions and the associated stochastic reconstruction algorithms introduced here are universally applicable in soil science, such as for soil classification

  10. Anti-correlated spectral motion in bisphthalocyanines: evidence for vibrational modulation of electronic mixing.

    Science.gov (United States)

    Prall, Bradley S; Parkinson, Dilworth Y; Ishikawa, Naoto; Fleming, Graham R

    2005-12-08

    We exploit a coherently excited nuclear wave packet to study nuclear motion modulation of electronic structure in a metal bridged phthalocyanine dimer, lutetium bisphthalocyanine, which displays two visible absorption bands. We find that the nuclear coordinate influences the energies of the underlying exciton and charge resonance states as well as their interaction; the interplay of the various couplings creates unusual anti-correlated spectral motion in the two bands. Excited state relaxation dynamics are the same regardless of which transition is pumped, with decay time constants of 1.5 and 11 ps. The dynamics are analyzed using a three-state kinetic model after relaxation from one or two additional states faster than the experimental time resolution of 50-100 fs.

  11. Correlation Functions of the One-Dimensional Attractive Bose Gas

    International Nuclear Information System (INIS)

    Calabrese, Pasquale; Caux, Jean-Sebastien

    2007-01-01

    The zero-temperature correlation functions of the one-dimensional attractive Bose gas with a delta-function interaction are calculated analytically for any value of the interaction parameter and number of particles, directly from the integrability of the model. We point out a number of interesting features, including zero recoil energy for a large number of particles, analogous to the Moessbauer effect

  12. Gluon 2- and 3-Point Correlation Functions on the Lattice

    OpenAIRE

    Parrinello, Claudio

    1993-01-01

    I present some preliminary results, obtained in collaboration with C. Bernard and A. Soni, for the lattice evaluation of 2- and 3-point gluon correlation functions in momentum space, with emphasis on the amputated 3-gluon vertex function. The final goal of this approach is the study of the running QCD coupling constant as defined from the amputated 3-gluon vertex.

  13. 2- and 3-point gluon correlation functions on the lattice

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, C. (Dept. of Physics, Univ. of Edinburgh (United Kingdom))

    1994-04-01

    I present some preliminary results, obtained in collaboration with C. Bernard and A. Soni, for the lattice evaluation of 2- and 3-point gluon correlation functions in momentum space, with emphasis on the amputated 3-gluon vertex function. The final goal of this approach is the study of the running QCD coupling constant as defined from the amputated 3-gluon vertex. (orig.)

  14. Time correlation functions and transport coefficients in a dilute superfluid

    International Nuclear Information System (INIS)

    Kirkpatrick, T.R.; Dorfman, J.R.

    1985-01-01

    Time correlation functions for the transport coefficients in the linear Landau-Khalatnikov equations are derived on the basis of a formal theory. These Green--Kubo expressions are then explicitly evaluated for a dilute superfluid and the resulting transport coefficiencts are shown to be identical to those obtained previously by using a distribution function method

  15. Nonreciprocal Green’s function retrieval by cross correlation

    NARCIS (Netherlands)

    Wapenaar, C.P.A.

    2006-01-01

    The cross correlation of two recordings of a diffuse acoustic wave field at different receivers yields the Green’s function between these receivers. In nearly all cases considered so far the wave equation obeys time-reversal invariance and the Green’s function obeys source-receiver reciprocity. Here

  16. Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

    Science.gov (United States)

    Pernal, Katarzyna

    2018-01-01

    An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

  17. IMPROVING CORRELATION FUNCTION FITTING WITH RIDGE REGRESSION: APPLICATION TO CROSS-CORRELATION RECONSTRUCTION

    International Nuclear Information System (INIS)

    Matthews, Daniel J.; Newman, Jeffrey A.

    2012-01-01

    Cross-correlation techniques provide a promising avenue for calibrating photometric redshifts and determining redshift distributions using spectroscopy which is systematically incomplete (e.g., current deep spectroscopic surveys fail to obtain secure redshifts for 30%-50% or more of the galaxies targeted). In this paper, we improve on the redshift distribution reconstruction methods from our previous work by incorporating full covariance information into our correlation function fits. Correlation function measurements are strongly covariant between angular or spatial bins, and accounting for this in fitting can yield substantial reduction in errors. However, frequently the covariance matrices used in these calculations are determined from a relatively small set (dozens rather than hundreds) of subsamples or mock catalogs, resulting in noisy covariance matrices whose inversion is ill-conditioned and numerically unstable. We present here a method of conditioning the covariance matrix known as ridge regression which results in a more well behaved inversion than other techniques common in large-scale structure studies. We demonstrate that ridge regression significantly improves the determination of correlation function parameters. We then apply these improved techniques to the problem of reconstructing redshift distributions. By incorporating full covariance information, applying ridge regression, and changing the weighting of fields in obtaining average correlation functions, we obtain reductions in the mean redshift distribution reconstruction error of as much as ∼40% compared to previous methods. We provide a description of POWERFIT, an IDL code for performing power-law fits to correlation functions with ridge regression conditioning that we are making publicly available.

  18. A semi-analytical three-dimensional free vibration analysis of functionally graded curved panels

    Energy Technology Data Exchange (ETDEWEB)

    Zahedinejad, P. [Department of Mechanical Engineering, Islamic Azad University, Branch of Shiraz, Shiraz (Iran, Islamic Republic of); Malekzadeh, P., E-mail: malekzadeh@pgu.ac.i [Department of Mechanical Engineering, Persian Gulf University, Persian Gulf University Boulevard, Bushehr 75168 (Iran, Islamic Republic of); Center of Excellence for Computational Mechanics, Shiraz University, Shiraz (Iran, Islamic Republic of); Farid, M. [Department of Mechanical Engineering, Islamic Azad University, Branch of Shiraz, Shiraz (Iran, Islamic Republic of); Karami, G. [Department of Mechanical Engineering and Applied Mechanics, North Dakota State University, Fargo, ND 58105-5285 (United States)

    2010-08-15

    Based on the three-dimensional elasticity theory, free vibration analysis of functionally graded (FG) curved thick panels under various boundary conditions is studied. Panel with two opposite edges simply supported and arbitrary boundary conditions at the other edges are considered. Two different models of material properties variations based on the power law distribution in terms of the volume fractions of the constituents and the exponential distribution of the material properties through the thickness are considered. Differential quadrature method in conjunction with the trigonometric functions is used to discretize the governing equations. With a continuous material properties variation assumption through the thickness of the curved panel, differential quadrature method is efficiently used to discretize the governing equations and to implement the related boundary conditions at the top and bottom surfaces of the curved panel and in strong form. The convergence of the method is demonstrated and to validate the results, comparisons are made with the solutions for isotropic and FG curved panels. By examining the results of thick FG curved panels for various geometrical and material parameters and subjected to different boundary conditions, the influence of these parameters and in particular, those due to functionally graded material parameters are studied.

  19. A Miniature Magnetic-Force-Based Three-Axis AC Magnetic Sensor with Piezoelectric/Vibrational Energy-Harvesting Functions

    Directory of Open Access Journals (Sweden)

    Chiao-Fang Hung

    2017-02-01

    Full Text Available In this paper, we demonstrate a miniature magnetic-force-based, three-axis, AC magnetic sensor with piezoelectric/vibrational energy-harvesting functions. For magnetic sensing, the sensor employs a magnetic–mechanical–piezoelectric configuration (which uses magnetic force and torque, a compact, single, mechanical mechanism, and the piezoelectric effect to convert x-axis and y-axis in-plane and z-axis magnetic fields into piezoelectric voltage outputs. Under the x-axis magnetic field (sine-wave, 100 Hz, 0.2–3.2 gauss and the z-axis magnetic field (sine-wave, 142 Hz, 0.2–3.2 gauss, the voltage output with the sensitivity of the sensor are 1.13–26.15 mV with 8.79 mV/gauss and 1.31–8.92 mV with 2.63 mV/gauss, respectively. In addition, through this configuration, the sensor can harness ambient vibrational energy, i.e., possessing piezoelectric/vibrational energy-harvesting functions. Under x-axis vibration (sine-wave, 100 Hz, 3.5 g and z-axis vibration (sine-wave, 142 Hz, 3.8 g, the root-mean-square voltage output with power output of the sensor is 439 mV with 0.333 μW and 138 mV with 0.051 μW, respectively. These results show that the sensor, using this configuration, successfully achieves three-axis magnetic field sensing and three-axis vibration energy-harvesting. Due to these features, the three-axis AC magnetic sensor could be an important design reference in order to develop future three-axis AC magnetic sensors, which possess energy-harvesting functions, for practical industrial applications, such as intelligent vehicle/traffic monitoring, processes monitoring, security systems, and so on.

  20. Demographic and Parenting Correlates of Adolescent Sleep Functioning

    OpenAIRE

    Zapata Roblyer, Martha I.; Grzywacz, Joseph. G.

    2015-01-01

    Despite the importance of parenting practices for adolescent adjustment, parenting correlates of adolescent sleep functioning remain understudied. This study delineated patterns of sleep functioning in a sample of ethnically diverse, low-income, adolescents and examined associations among three types of parenting practices (parental involvement, parent-child conflict, and parental control) and adolescent sleep functioning (difficulties initiating sleep and maintaining sleep, and sleep duratio...

  1. Measurement of spatial correlation functions using image processing techniques

    International Nuclear Information System (INIS)

    Berryman, J.G.

    1985-01-01

    A procedure for using digital image processing techniques to measure the spatial correlation functions of composite heterogeneous materials is presented. Methods for eliminating undesirable biases and warping in digitized photographs are discussed. Fourier transform methods and array processor techniques for calculating the spatial correlation functions are treated. By introducing a minimal set of lattice-commensurate triangles, a method of sorting and storing the values of three-point correlation functions in a compact one-dimensional array is developed. Examples are presented at each stage of the analysis using synthetic photographs of cross sections of a model random material (the penetrable sphere model) for which the analytical form of the spatial correlations functions is known. Although results depend somewhat on magnification and on relative volume fraction, it is found that photographs digitized with 512 x 512 pixels generally have sufficiently good statistics for most practical purposes. To illustrate the use of the correlation functions, bounds on conductivity for the penetrable sphere model are calculated with a general numerical scheme developed for treating the singular three-dimensional integrals which must be evaluated

  2. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  3. Long-time tails of correlation and memory functions

    Science.gov (United States)

    Sawada, Isao

    2002-11-01

    We review the generalized Langevin equation, which is a transformation and reformulation of equation of motion, from the two viewpoints: the projection operator method developed by Mori and the recurrence relations method developed by Lee. The fluctuating forces acting on the Bloch electrons’ current are clarified the strongly colored quantum fluctuations with the spontaneous interband transitions leading to a long-time tail of 1/ t for the envelope of the memory function. The velocity autocorrelation functions in the coupled harmonic oscillator on the Bethe lattice have a long-time tail of 1/t t. The oscillation and the form of decay found in correlation functions affect transport coefficients given by the integrated intensity up to infinity. We also study the force-force correlation functions often used as an approximation to the memory function.

  4. Correlation between HRCT and pulmonary functional tests in cystic fibrosis

    International Nuclear Information System (INIS)

    Mastellari, Paola; Biggi, Simona; Lombardi, Alfonsa; Zompatori, Maurizio; Grzincich, Gianluigi; Pisi, Giovanna; Spaggiari, Cinzia

    2005-01-01

    Purpose. To compare the HRCT score by Oikonottlou and air trapping in expiratory scans with pulmonary functional tests and evaluate which radiological criteria are more useful to predict clinical impairment. Materials and methods. From January to September 2003, pulmonary HRCT study was performed in 37 patients (23 males), aged between 7 and 41 years, with cystic fibrosis. In the same day of CT examination they also received a complete functional evaluation. HRCT studies were evaluated by three radiologists blinded to the clinical data and were correlated with the lung function tests. Results. We obtained a high correlation (p=0.01) for two of the HRCT signs: extent of mucus plugging and mosaic perfusion pattern and all function tests. Discussion. Previous studies have demonstrated good correlation between lung function tests, in particular with FEV1 and HRCT signs. Our study differed from previous ones in that we analysed the correlation between lung function tests and with both single and combined CT criteria. Conclusion. Our results suggest that a simplified HRCT store could be useful to evaluate patients with cystic fibrosis [it

  5. Correlation Functions in Open Quantum-Classical Systems

    Directory of Open Access Journals (Sweden)

    Chang-Yu Hsieh

    2013-12-01

    Full Text Available Quantum time correlation functions are often the principal objects of interest in experimental investigations of the dynamics of quantum systems. For instance, transport properties, such as diffusion and reaction rate coefficients, can be obtained by integrating these functions. The evaluation of such correlation functions entails sampling from quantum equilibrium density operators and quantum time evolution of operators. For condensed phase and complex systems, where quantum dynamics is difficult to carry out, approximations must often be made to compute these functions. We present a general scheme for the computation of correlation functions, which preserves the full quantum equilibrium structure of the system and approximates the time evolution with quantum-classical Liouville dynamics. Several aspects of the scheme are discussed, including a practical and general approach to sample the quantum equilibrium density, the properties of the quantum-classical Liouville equation in the context of correlation function computations, simulation schemes for the approximate dynamics and their interpretation and connections to other approximate quantum dynamical methods.

  6. Neural correlates of executive functions in patients with obesity.

    Science.gov (United States)

    Ho, Ming-Chou; Chen, Vincent Chin-Hung; Chao, Seh-Huang; Fang, Ching-Tzu; Liu, Yi-Chun; Weng, Jun-Cheng

    2018-01-01

    Obesity is one of the most challenging problems in human health and is recognized as an important risk factor for many chronic diseases. It remains unclear how the neural systems (e.g., the mesolimbic "reward" and the prefrontal "control" neural systems) are correlated with patients' executive function (EF), conceptualized as the integration of "cool" EF and "hot" EF. "Cool" EF refers to relatively abstract, non-affective operations such as inhibitory control and mental flexibility. "Hot" EF refers to motivationally significant affective operations such as affective decision-making. We tried to find the correlation between structural and functional neuroimaging indices and EF in obese patients. The study population comprised seventeen patients with obesity (seven males and 10 females, BMI = 37.99 ± 5.40, age = 31.82 ± 8.75 year-old) preparing to undergo bariatric surgery. We used noninvasive diffusion tensor imaging, generalized q-sampling imaging, and resting-state functional magnetic resonance imaging to examine the neural correlations between structural and functional neuroimaging indices and EF performances in patients with obesity. We reported that many brain areas are correlated to the patients' EF performances. More interestingly, some correlations may implicate the possible associations of EF and the incentive motivational effects of food. The neural correlation between the left precuneus and middle occipital gyrus and inhibitory control may suggest that patients with a better ability to detect appetitive food may have worse inhibitory control. Also, the neural correlation between the superior frontal blade and affective decision-making may suggest that patients' affective decision-making may be associated with the incentive motivational effects of food. Our results provide evidence suggesting neural correlates of EF in patients with obesity.

  7. Correlation functions and Schwinger-Dyson equations for Penner's model

    International Nuclear Information System (INIS)

    Chair, N.; Panda, S.

    1991-05-01

    The free energy of Penner's model exhibits logarithmic singularity in the continuum limit. We show, however, that the one and two point correlators of the usual loop-operators do not exhibit logarithmic singularity. The continuum Schwinger-Dyson equations involving these correlation functions are derived and it is found that within the space of the corresponding couplings, the resulting constraints obey a Virasoro algebra. The puncture operator having the correct (logarithmic) scaling behaviour is identified. (author). 13 refs

  8. Correlation Function Analysis of Fiber Networks: Implications for Thermal Conductivity

    Science.gov (United States)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    The heat transport in highly porous fiber structures is investigated. The fibers are supposed to be thin, but long, so that the number of the inter-fiber connections along each fiber is large. We show that the effective conductivity of such structures can be found from the correlation length of the two-point correlation function of the local conductivities. Estimation of the parameters, determining the conductivity, from the 2D images of the structures is analyzed.

  9. Dynamic polarization in paramagnetic solids and microscopic correlation functions

    International Nuclear Information System (INIS)

    Boucher, Jean-Paul

    1972-01-01

    The different effects of Dynamic Nuclear Polarization in paramagnetic solids are described by means of a single thermodynamic formalism. In the case of large exchange interactions, the Overhauser effect correlated with nuclear relaxation time measurements can provide a way of studying correlation functions between electronic spins. This method is used to study the low-frequency behaviour of the microscopic spectral density which should diverge as ω → 0, in the case of a linear exchange chain. (author) [fr

  10. Exploring Solvent Shape and Function Using - and Isomer-Selective Vibrational Spectroscopy

    Science.gov (United States)

    Johnson, Mark

    2010-06-01

    We illustrate the new types of information than can be obtained through isomer-selective ``hole-burning'' spectroscopy carried out in the vibrational manifolds of Ar-tagged cluster ions. Three examples of increasing complexity will be presented where the changes in a solute ion are correlated with different morphologies of a surrounding solvent cage. In the first, we discuss the weak coupling limit where different hydration morphologies lead to small distortions of a covalent ion. We then introduce the more interesting case of the hydrated electron, where different shapes of the water network lead to dramatic changes in the extent of delocalization in the diffuse excess electron cloud. We then turn to the most complex case involving hydration of the nitrosonium ion, where different arrangements of the same number of water molecules span the range in behavior from simple solvation to actively causing a chemical reaction. The latter results are particularly interesting as they provide a microscopic, molecular-level picture of the ``solvent coordinate'' commonly used to describe solvent mediated processes.

  11. Method of vacuum correlation functions: Results and prospects

    International Nuclear Information System (INIS)

    Badalian, A. M.; Simonov, Yu. A.; Shevchenko, V. I.

    2006-01-01

    Basic results obtained within the QCD method of vacuum correlation functions over the past 20 years in the context of investigations into strong-interaction physics at the Institute of Theoretical and Experimental Physics (ITEP, Moscow) are formulated Emphasis is placed primarily on the prospects of the general theory developed within QCD by employing both nonperturbative and perturbative methods. On the basis of ab initio arguments, it is shown that the lowest two field correlation functions play a dominant role in QCD dynamics. A quantitative theory of confinement and deconfinement, as well as of the spectra of light and heavy quarkonia, glueballs, and hybrids, is given in terms of these two correlation functions. Perturbation theory in a nonperturbative vacuum (background perturbation theory) plays a significant role, not possessing drawbacks of conventional perturbation theory and leading to the infrared freezing of the coupling constant α s

  12. Spectral and entropic characterizations of Wigner functions: applications to model vibrational systems.

    Science.gov (United States)

    Luzanov, A V

    2008-09-07

    The Wigner function for the pure quantum states is used as an integral kernel of the non-Hermitian operator K, to which the standard singular value decomposition (SVD) is applied. It provides a set of the squared singular values treated as probabilities of the individual phase-space processes, the latter being described by eigenfunctions of KK(+) (for coordinate variables) and K(+)K (for momentum variables). Such a SVD representation is employed to obviate the well-known difficulties in the definition of the phase-space entropy measures in terms of the Wigner function that usually allows negative values. In particular, the new measures of nonclassicality are constructed in the form that automatically satisfies additivity for systems composed of noninteracting parts. Furthermore, the emphasis is given on the geometrical interpretation of the full entropy measure as the effective phase-space volume in the Wigner picture of quantum mechanics. The approach is exemplified by considering some generic vibrational systems. Specifically, for eigenstates of the harmonic oscillator and a superposition of coherent states, the singular value spectrum is evaluated analytically. Numerical computations are given for the nonlinear problems (the Morse and double well oscillators, and the Henon-Heiles system). We also discuss the difficulties in implementation of a similar technique for electronic problems.

  13. The singular multiparticle correlation function and the α-model

    International Nuclear Information System (INIS)

    Bozek, P.; Ploszajczak, M.

    1991-01-01

    The comparison is made between the two descriptions of multiparticle correlations using either the α-model or the scale-invariant distribution functions. The case of the strong and weak intermittency is discussed. These two descriptions show similar results for both the scaled factorial moments and the scaled factorial correlators. It is shown that the dimensional projection does not alter this similarity and moreover, it explains an experimentally observed difference between the slopes of factorial moments and factorial correlators. (author) 8 refs.; 3 figs

  14. The sewing technique and correlation functions on arbitrary Riemann surfaces

    International Nuclear Information System (INIS)

    Di Vecchia, P.

    1989-01-01

    We describe in the case of free bosonic and fermionic theories the sewing procedure, that is a very convenient way for constructing correlation functions of these theories on an arbitrary Riemann surface from their knowledge on the sphere. The fundamental object that results from this construction is the N-point g-loop vertex. It summarizes the information of all correlation functions of the theory on an arbitrary Riemann surface. We then check explicitly the bosonization rules and derive some useful formulas. (orig.)

  15. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, Steen; Jensen, Jakob Laigaard

    responses simulated by two SDOF ARMA models loaded by the same bandlimited white noise. The speed and the accuracy of the RDD technique is compared to the Fast Fourier Transform (FFT) technique. The RDD technique does not involve multiplications, but only additions. Therefore, the technique is very fast......The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...

  16. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, Steen; Jensen, Jacob Laigaard

    1991-01-01

    responses simulated by two SDOF ARMA models loaded by the same band-limited white noise. The speed and the accuracy of the RDD technique is compared to the Fast Fourier Transform (FFT) technique. The RDD technique does not involve multiplications, but only additions. Therefore, the technique is very fast......The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...

  17. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, Steen; Jensen, Jakob Laigaard

    1992-01-01

    responses simulated by two SDOF ARMA models loaded by the same bandlimited white noise. The speed and the accuracy of the RDD technique is compared to the Fast Fourier Transform (FFT) technique. The RDD technique does not involve multiplications, but only additions. Therefore, the technique is very fast......The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...

  18. The asymptotic behaviour of the maximum likelihood function of Kriging approximations using the Gaussian correlation function

    CSIR Research Space (South Africa)

    Kok, S

    2012-07-01

    Full Text Available continuously as the correlation function hyper-parameters approach zero. Since the global minimizer of the maximum likelihood function is an asymptote in this case, it is unclear if maximum likelihood estimation (MLE) remains valid. Numerical ill...

  19. Thermal quantum time-correlation functions from classical-like dynamics

    Science.gov (United States)

    Hele, Timothy J. H.

    2017-07-01

    Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first principles. Since the exact quantum solution scales exponentially with system size, there has been considerable effort in formulating reliable linear-scaling methods involving exact quantum statistics and approximate quantum dynamics modelled with classical-like trajectories. Here, we review recent progress in the field with the development of methods including centroid molecular dynamics , ring polymer molecular dynamics (RPMD) and thermostatted RPMD (TRPMD). We show how these methods have recently been obtained from 'Matsubara dynamics', a form of semiclassical dynamics which conserves the quantum Boltzmann distribution. We also apply the Matsubara formalism to reaction rate theory, rederiving t → 0+ quantum transition-state theory (QTST) and showing that Matsubara-TST, like RPMD-TST, is equivalent to QTST. We end by surveying areas for future progress.

  20. Correlation functions of the spin chains. Algebraic Bethe Ansatz approach

    International Nuclear Information System (INIS)

    Kitanine, N.

    2007-09-01

    Spin chains are the basic elements of integrable quantum models. These models have direct applications in condense matter theory, in statistical physics, in quantum optics, in field theory and even in string theory but they are also important because they enable us to solve, in an exact manner, non-perturbative phenomena that otherwise would stay unresolved. The method described in this work is based on the algebraic Bethe Ansatz. It is shown how this method can be used for the computation of null temperature correlation functions of the Heisenberg 1/2 spin chain. The important point of this approach is the solution of the inverse quantum problem given by the XXZ spin chain. This solution as well as a simple formulae for the scalar product of the Bethe states, have enabled us to get the most basic correlation functions under the form of multiple integrals. The formalism of multiple integrals open the way for asymptotic analysis for a few physical quantities like the probability of vacuum formation. It is worth noticing that this formalism can give exact results for two-point functions that are the most important correlation functions for applications. A relationship has been discovered between these multiple integrals and the sum of the form factors. The results have been extended to dynamical correlation functions. (A.C.)

  1. The Potts model and flows. 1. The pair correlation function

    International Nuclear Information System (INIS)

    Essam, J.W.; Tsallis, C.

    1985-01-01

    It is shown that the partition function for the lambda-state Potts model with pair-interactions is related to the expected number of integer mod-lambda flows in a percolation model. The relation is generalised to the pair correlation function. The resulting high temperature expansion coefficients are shown to be the flow polynomials of graph theory. An observation of Tsallis and Levy concerning the equivalent transmissivity of a cluster is also proved. (Author) [pt

  2. Structural and functional correlates of epileptogenesis — Does gender matter?

    Science.gov (United States)

    Savic, Ivanka; Engel, Jerome

    2016-01-01

    In the majority of neuropsychiatric conditions, marked gender-based differences have been found in the epidemiology, clinical manifestations, and therapy of disease. One possible reason is that sex differences in cerebral morphology, structural and functional connections, render men and women differentially vulnerable to various disease processes. The present review addresses this issue with respect to the functional and structural correlates to some forms of epilepsy. PMID:24943053

  3. Structural and functional correlates of hypnotic depth and suggestibility.

    Science.gov (United States)

    McGeown, William Jonathan; Mazzoni, Giuliana; Vannucci, Manila; Venneri, Annalena

    2015-02-28

    This study explores whether self-reported depth of hypnosis and hypnotic suggestibility are associated with individual differences in neuroanatomy and/or levels of functional connectivity. Twenty-nine people varying in suggestibility were recruited and underwent structural, and after a hypnotic induction, functional magnetic resonance imaging at rest. We used voxel-based morphometry to assess the correlation of grey matter (GM) and white matter (WM) against the independent variables: depth of hypnosis, level of relaxation and hypnotic suggestibility. Functional networks identified with independent components analysis were regressed with the independent variables. Hypnotic depth ratings were positively correlated with GM volume in the frontal cortex and the anterior cingulate cortex (ACC). Hypnotic suggestibility was positively correlated with GM volume in the left temporal-occipital cortex. Relaxation ratings did not correlate significantly with GM volume and none of the independent variables correlated with regional WM volume measures. Self-reported deeper levels of hypnosis were associated with less connectivity within the anterior default mode network. Taken together, the results suggest that the greater GM volume in the medial frontal cortex and ACC, and lower connectivity in the DMN during hypnosis facilitate experiences of greater hypnotic depth. The patterns of results suggest that hypnotic depth and hypnotic suggestibility should not be considered synonyms. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  4. Cosmological forecasts from photometric measurements of the angular correlation function

    International Nuclear Information System (INIS)

    Sobreira, F.; Rosenfeld, R.; Simoni, F. de; Costa, L. A. N. da; Maia, M. A. G.; Makler, M.

    2011-01-01

    We study forecasts for the accuracy of the determination of cosmological parameters from future large-scale photometric surveys obtained using the full shape of the 2-point galaxy angular correlation function. The effects of linear redshift-space distortion, photometric redshift Gaussian errors, galaxy bias and nonlinearities in the power spectrum are included on our analysis. The Fisher information matrix is constructed with the full covariance matrix, including the correlation between nearby redshift shells arising from the photometric redshift error. We show that under some reasonable assumptions, a survey such as the imminent Dark Energy Survey should be able to constrain the dark energy equation of state parameter w and the cold dark matter density Ω cdm with a precision of the order of 20% and 13%, respectively, from the full shape of the angular correlation function alone. When combined with priors from other observations the precision in the determination of these parameters improve to 8% and 4%, respectively.

  5. Evaluation of time correlation functions from a generalized Enskog equation

    Energy Technology Data Exchange (ETDEWEB)

    Yip, S.; Alley, W.E.; Alder, B.J.

    1982-01-01

    Numerical results for the density and current correlation functions in dense hard-shape fluids are obtained from a kinetic equation which is the extension of the linearized Enskog equation to finite wavelengths in order to demonstrate the convergence of the method of solution. Comparison is made to a previously proposed approximate solution.

  6. Evaluation of time correlation functions from a generalized Enskog equation

    International Nuclear Information System (INIS)

    Yip, S.; Alley, W.E.; Alder, B.J.

    1982-01-01

    Numerical results for the density and current correlation functions in dense hard-shape fluids are obtained from a kinetic equation which is the extension of the linearized Enskog equation to finite wavelengths in order to demonstrate the convergence of the method of solution. Comparison is made to a previously proposed approximate solution

  7. The pair correlation function of spatial Hawkes processes

    DEFF Research Database (Denmark)

    Møller, Jesper; Torrisi, Giovanni Luca

    2007-01-01

    Spatial Hawkes processes can be considered as spatial versions of classical Hawkes processes. We derive the pair correlation function of stationary spatial Hawkes processes and discuss the connection to the Bartlett spectrum and other summary statistics. Particularly, results for Gaussian fertility...... rates and the extension to spatial Hawkes processes with random fertility rates are discussed....

  8. A two-point correlation function for Galactic halo stars

    NARCIS (Netherlands)

    Cooper, A. P.; Cole, S.; Frenk, C. S.; Helmi, A.

    2011-01-01

    We describe a correlation function statistic that quantifies the amount of spatial and kinematic substructure in the stellar halo. We test this statistic using model stellar halo realizations constructed from the Aquarius suite of six high-resolution cosmological N-body simulations, in combination

  9. Correlation functions formed by a femtosecond pulse interferometer

    NARCIS (Netherlands)

    Cui, M.; Bhattacharya, N.; Urbach, H.P.; Van den berg, S.A.

    2008-01-01

    We experimentally demonstrate that a stabilized femtosecond frequency comb can be applied as a tool for distance measurement. The scheme is based on optical interference between individual pulses in a Michelson type interferometer. The cross-correlation functions between individual pulses with a

  10. Density-correlation functions in Calogero-Sutherland models

    International Nuclear Information System (INIS)

    Minahan, J.A.; Polychronakos, A.P.

    1994-01-01

    Using arguments from two-dimensional Yang-Mills theory and the collective coordinate formulation of the Calogero-Sutherland model, we conjecture the dynamical density-correlation function for coupling l and 1/l, where l is an integer. We present overwhelming evidence that the conjecture is indeed correct

  11. Density correlation functions in Calogero-Sutherland models

    CERN Document Server

    Minahan, Joseph A.; Joseph A Minahan; Alexios P Polychronakos

    1994-01-01

    Using arguments from two dimensional Yang-Mills theory and the collective coordinate formulation of the Calogero-Sutherland model, we conjecture the dynamical density correlation function for coupling l and 1/l, where l is an integer. We present overwhelming evidence that the conjecture is indeed correct.

  12. Demographic and Parenting Correlates of Adolescent Sleep Functioning.

    Science.gov (United States)

    Zapata Roblyer, Martha I; Grzywacz, Joseph G

    2015-11-01

    Despite the importance of parenting practices for adolescent adjustment, parenting correlates of adolescent sleep functioning remain understudied. This study delineated patterns of sleep functioning in a sample of ethnically diverse, low-income, adolescents and examined associations among three types of parenting practices (parental involvement, parent-child conflict, and parental control) and adolescent sleep functioning (difficulties initiating sleep and maintaining sleep, and sleep duration). Adolescents ( N = 91, 11-19 years old) self-reported on sleep functioning and parenting practices. Results showed that in the preceding month, 60.5% of adolescents had difficulties initiating sleep and 73.6% had difficulties maintaining sleep. Most adolescents slept 8 or more hours per night, but 30.7% slept less than 8 hours. Latino adolescents slept longer and had fewer difficulties maintaining sleep than non-Latino. High school students had fewer difficulties maintaining sleep than their middle school counterparts; conversely, older adolescents experienced shorter sleep duration than younger ones. Adolescents whose parents had post-secondary education had shorter sleep duration than those whose parents had not graduated from high school. Parental control was correlated with fewer difficulties initiating sleep, whereas parent-child conflict was correlated with more difficulties maintaining sleep. There were no parenting correlates of sleep duration. Latino adolescents had better sleep profiles than non-Latino ones. Regression analyses showed that parental control and parent-child conflict were associated with adolescent sleep functioning across ethnicities. Results suggest that parenting practices, as well as demographic characteristics, are associated with adolescent sleep functioning and should be taken into account in interventions aimed at improving sleep functioning among adolescents.

  13. Combination of Wavefunction and Density Functional Approximations for Describing Electronic Correlation

    Science.gov (United States)

    Garza, Alejandro J.

    history in quantum chemistry (practical implementations have appeared in the literature since the 1970s). However, this kind of techniques have not achieved widespread use due to problems such as double counting of correlation and the symmetry dilemma--the fact that wavefunction methods respect the symmetries of Hamiltonian, while modern functionals are designed to work with broken symmetry densities. Here, particular mathematical features of pCCD and CCD0 are exploited to avoid these problems in an efficient manner. The two resulting families of approximations, denoted as pCCD+DFT and CCD0+DFT, are shown to be able to describe static and dynamic correlation in standard benchmark calculations. Furthermore, it is also shown that CCD0+DFT lends itself to combination with correlation from the direct random phase approximation (dRPA). Inclusion of dRPA in the long-range via the technique of range-separation allows for the description of dispersion correlation, the remaining part of the correlation. Thus, when combined with the dRPA, CCD0+DFT can account for all three-types of electron correlation that are necessary to accurately describe molecular systems. Lastly, applications of CCD0+DFT to actinide chemistry are considered in this work. The accuracy of CCD0+DFT for predicting equilibrium geometries and vibrational frequencies of actinide molecules and ions is assessed and compared to that of well-established quantum chemical methods. For this purpose, the f0 actinyl series (UO2 2+, NpO 23+, PuO24+, the isoelectronic NUN, and Thorium (ThO, ThO2+) and Nobelium (NoO, NoO2) oxides are studied. It is shown that the CCD0+DFT description of these species agrees with available experimental data and is comparable with the results given by the highest-level calculations that are possible for such heavy compounds while being, at least, an order of magnitude lower in computational cost.

  14. Molecular Structure And Vibrational Frequencies of 2,3,4 Nitro anilines By Hartree-Fock And Density Functional Theory Calculations

    International Nuclear Information System (INIS)

    Sert, Y.

    2008-01-01

    The optimised molecular structure, vibrational frequencies and corresponding vibrational assignments of 2-, 3- and 4- nitro anilines have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were adapted to the C S symmetries of all the molecules. The calculated vibrational frequencies and geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the experimental and theoretical results showed that the HF method is superior to the B3LYP method for both the vibrational frequencies and geometric parameters

  15. A local dynamic correlation function from inelastic neutron scattering

    International Nuclear Information System (INIS)

    McQueeney, R.J.

    1997-01-01

    Information about local and dynamic atomic correlations can be obtained from inelastic neutron scattering measurements by Fourier transform of the Q-dependent intensity oscillations at a particular frequency. A local dynamic structure function, S(r,ω), is defined from the dynamic scattering function, S(Q,ω), such that the elastic and frequency-integrated limits correspond to the average and instantaneous pair-distribution functions, respectively. As an example, S(r,ω) is calculated for polycrystalline aluminum in a model where atomic motions are entirely due to harmonic phonons

  16. Correlation between hypertension and cognitive function in elderly

    Science.gov (United States)

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

    2018-03-01

    Hypertension and cognitive impairment are common disorders among elderly adults, and their prevalences tend to rise as the population ages. This study aimed to determine the correlation between hypertension and cognitive function in elderly. It was a cross-sectional study involving 62 elderly subjects. All subjects underwent physical and neurologic examination and Montreal Cognitive Assessment-Indonesian Version (MoCA-INA) to assess cognitive function. This study included 62 subjects consisted of 26 males (41.9%) and 36 females (58.1%). There were 24 subjects (38.2%) with hypertension and 38 (61.3%) normal elderly subjects. The mean age was 65.71±4.49 years old. There were no significant differences in demographic characteristics, total MoCA-INA scores, and scores based on cognitive domains between two groups, except for visuospatial and executive function (p=0.026). There was a significant correlation between hypertension and visuospatial and executive function (r=0.301, p=0.017). Hypertension is correlated with cognitive impairment mainly on visuospatial and executive function in elderly.

  17. An experimental and theoretical study of molecular structure and vibrational spectra of 2-methylphenyl boronic acid by density functional theory calculations

    Science.gov (United States)

    Hiremath, Sudhir M.; Hiremath, C. S.; Khemalapure, S. S.; Patil, N. R.

    2018-05-01

    This paper reports the experimental and theoretical study on the structure and vibrations of 2-Methylphenyl boronic acid (2MPBA). The different spectroscopic techniques such as FT-IR (4000-400 cm-1) and FT-Raman (4000-50 cm-1) of the title molecule in the solid phase were recorded. The geometry of the molecule was fully optimized using density functional theory (DFT) (B3LYP) with 6-311++G(d, p) basis set calculations. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. Vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. The calculated wavenumbers showed the best agreement with the experimental results. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

  18. Describing a Strongly Correlated Model System with Density Functional Theory.

    Science.gov (United States)

    Kong, Jing; Proynov, Emil; Yu, Jianguo; Pachter, Ruth

    2017-07-06

    The linear chain of hydrogen atoms, a basic prototype for the transition from a metal to Mott insulator, is studied with a recent density functional theory model functional for nondynamic and strong correlation. The computed cohesive energy curve for the transition agrees well with accurate literature results. The variation of the electronic structure in this transition is characterized with a density functional descriptor that yields the atomic population of effectively localized electrons. These new methods are also applied to the study of the Peierls dimerization of the stretched even-spaced Mott insulator to a chain of H 2 molecules, a different insulator. The transitions among the two insulating states and the metallic state of the hydrogen chain system are depicted in a semiquantitative phase diagram. Overall, we demonstrate the capability of studying strongly correlated materials with a mean-field model at the fundamental level, in contrast to the general pessimistic view on such a feasibility.

  19. A new quantum statistical evaluation method for time correlation functions

    International Nuclear Information System (INIS)

    Loss, D.; Schoeller, H.

    1989-01-01

    Considering a system of N identical interacting particles, which obey Fermi-Dirac or Bose-Einstein statistics, the authors derive new formulas for correlation functions of the type C(t) = i= 1 N A i (t) Σ j=1 N B j > (where B j is diagonal in the free-particle states) in the thermodynamic limit. Thereby they apply and extend a superoperator formalism, recently developed for the derivation of long-time tails in semiclassical systems. As an illustrative application, the Boltzmann equation value of the time-integrated correlation function C(t) is derived in a straight-forward manner. Due to exchange effects, the obtained t-matrix and the resulting scattering cross section, which occurs in the Boltzmann collision operator, are now functionals of the Fermi-Dirac or Bose-Einstein distribution

  20. Correlation functions of one-dimensional Lieb-Liniger anyons

    International Nuclear Information System (INIS)

    Patu, Ovidiu I; Korepin, Vladimir E; Averin, Dmitri V

    2007-01-01

    We have investigated the properties of a model of 1D anyons interacting through a δ-function repulsive potential. The structure of the quasi-periodic boundary conditions for the anyonic field operators and the many-anyon wavefunctions is clarified. The spectrum of the low-lying excitations including the particle-hole excitations is calculated for periodic and twisted boundary conditions. Using the ideas of the conformal field theory we obtain the large-distance asymptotics of the density and field correlation function at the critical temperature T = 0 and at small finite temperatures. Our expression for the field correlation function extends the results in the literature obtained for harmonic quantum anyonic fluids

  1. Invariant mass dependence of two-pion inclusive correlation functions

    International Nuclear Information System (INIS)

    Berger, E.L.; Singer, R.; Thomas, G.H.; Kafka, T.

    1976-06-01

    High energy two-particle inclusive correlations are studied as a function of the invariant mass M of the pair. Using data from 205 GeV/c pp interactions, one compares the correlation functions C(M) for (+-) and (--) pairs of produced pions. Strong positive correlations are observed in both distributions in the form of a broad threshold enhancement at small M. The decrease of C(M) as M increases is interpreted in the Mueller-Regge framework. From the M dependence of C +- one extracts an effective trajectory intercept of roughly α(0) approximately equal to 0.5 +- 0.1, consistent with the (rho,f) pair. For the exotic (--) system, one finds a low intercept, α(0) approximately equal to -0.5. A rho resonance signal is observed above background in C +- (M). Near threshold, effects suggestive of Bose symmetry are seen but are not conclusive. In an exclusive picture, one relates most of the correlation in the threshold region to resonances involving three or more pions. One also examines the joint correlations in M and the azimuthal angle phi

  2. Correlation function of weakly interacting bosons in a disordered lattice

    Energy Technology Data Exchange (ETDEWEB)

    Deissler, B; Lucioni, E; Modugno, M; Roati, G; Tanzi, L; Zaccanti, M; Inguscio, M; Modugno, G, E-mail: deissler@lens.unifi.it, E-mail: modugno@lens.unifi.it [LENS and Dipartimento di Fisica e Astronomia, Universita di Firenze, 50019 Sesto Fiorentino (Italy)

    2011-02-15

    One of the most important issues in disordered systems is the interplay of the disorder and repulsive interactions. Several recent experimental advances on this topic have been made with ultracold atoms, in particular the observation of Anderson localization and the realization of the disordered Bose-Hubbard model. There are, however, still questions as to how to differentiate the complex insulating phases resulting from this interplay, and how to measure the size of the superfluid fragments that these phases entail. It has been suggested that the correlation function of such a system can give new insights, but so far very little experimental investigation has been performed. Here, we show the first experimental analysis of the correlation function for a weakly interacting, bosonic system in a quasiperiodic lattice. We observe an increase in the correlation length as well as a change in the shape of the correlation function in the delocalization crossover from Anderson glass to coherent, extended state. In between, the experiment indicates the formation of progressively larger coherent fragments, consistent with a fragmented BEC, or Bose glass.

  3. Correlation function of weakly interacting bosons in a disordered lattice

    International Nuclear Information System (INIS)

    Deissler, B; Lucioni, E; Modugno, M; Roati, G; Tanzi, L; Zaccanti, M; Inguscio, M; Modugno, G

    2011-01-01

    One of the most important issues in disordered systems is the interplay of the disorder and repulsive interactions. Several recent experimental advances on this topic have been made with ultracold atoms, in particular the observation of Anderson localization and the realization of the disordered Bose-Hubbard model. There are, however, still questions as to how to differentiate the complex insulating phases resulting from this interplay, and how to measure the size of the superfluid fragments that these phases entail. It has been suggested that the correlation function of such a system can give new insights, but so far very little experimental investigation has been performed. Here, we show the first experimental analysis of the correlation function for a weakly interacting, bosonic system in a quasiperiodic lattice. We observe an increase in the correlation length as well as a change in the shape of the correlation function in the delocalization crossover from Anderson glass to coherent, extended state. In between, the experiment indicates the formation of progressively larger coherent fragments, consistent with a fragmented BEC, or Bose glass.

  4. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

    International Nuclear Information System (INIS)

    Fry-Petit, A. M.; Sheckelton, J. P.; McQueen, T. M.; Rebola, A. F.; Fennie, C. J.; Mourigal, M.; Valentine, M.; Drichko, N.

    2015-01-01

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn 2 Mo 3 O 8 , this approach allows direct assignment of the constrained rotational mode of Mo 3 O 13 clusters and internal modes of MoO 6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems

  5. Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations.

    Science.gov (United States)

    Ohto, Tatsuhiko; Hunger, Johannes; Backus, Ellen H G; Mizukami, Wataru; Bonn, Mischa; Nagata, Yuki

    2017-03-08

    The osmolyte molecule trimethylamine-N-oxide (TMAO) stabilizes the structure of proteins. As functional proteins are generally found in aqueous solutions, an important aspect of this stabilization is the interaction of TMAO with water. Here, we review, using vibrational spectroscopy and molecular dynamics simulations, recent studies on the structure and dynamics of TMAO with its surrounding water molecules. This article ends with an outlook on the open questions on TMAO-protein and TMAO-urea interactions in aqueous environments.

  6. A partitioned correlation function interaction approach for describing electron correlation in atoms

    International Nuclear Information System (INIS)

    Verdebout, S; Godefroid, M; Rynkun, P; Jönsson, P; Gaigalas, G; Fischer, C Froese

    2013-01-01

    The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core–valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the

  7. A partitioned correlation function interaction approach for describing electron correlation in atoms

    Science.gov (United States)

    Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

    2013-04-01

    The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR

  8. Heavy particle signatures in cosmological correlation functions with tensor modes

    Science.gov (United States)

    Saito, Ryo; Kubota, Takahiro

    2018-06-01

    We explore the possibility to make use of cosmological data to look for signatures of unknown heavy particles whose masses are on the order of the Hubble parameter during the time of inflation. To be more specific we take up the quasi-single field inflation model, in which the isocurvaton σ is supposed to be the heavy particle. We study correlation functions involving both scalar (ζ ) and tensor (γ ) perturbations and search for imprints of the σ-particle effects. We make use of the technique of the effective field theory for inflation to derive the ζ σ and γ ζ σ couplings. With these couplings we compute the effects due to σ to the power spectrum langle ζ ζ rangle and correlations langle γs ζ ζ rangle and langle γs1 γ s2 ζ ζ rangle , where s, s1 and s2 are the polarization indices of gravitons. Numerical analyses of the σ-mass effects to these correlations are presented. It is argued that future precise observations of these correlations could make it possible to measure the σ-mass and the strength of the ζ σ and γ ζ σ couplings. As an extension to the N-graviton case we also compute the correlations langle γ s1 ... γ sN ζ ζ rangle and langle γ s1 ... ... γ s2N ζ ζ rangle and their σ-mass effects. It is suggested that larger N correlation functions are useful to probe larger σ-mass.

  9. Two-body correlation functions in dilute nuclear matter

    International Nuclear Information System (INIS)

    Isayev, A A

    2006-01-01

    Finding the distinct features of the crossover from the regime of large overlapping Cooper pairs to the limit of non-overlapping pairs of fermions (Shafroth pairs) in multicomponent Fermi systems remains one of the actual problems in a quantum many-body theory. Here this transition is studied by calculating the two-body density, spin and isospin correlation functions in dilute asymmetric nuclear matter. It is shown that criterion of the crossover (Phys. Rev. Lett. 95, 090402 (2005)), consisting in the change of the sign of the density correlation function at low momentum transfer, fails to describe correctly the density-driven BEC-BCS transition at finite isospin asymmetry or finite temperature. As an unambiguous signature of the BEC-BCS transition, there can be used the presence (BCS regime) or absence (BEC regime) of the singularity in the momentum distribution of the quasiparticle density of states

  10. Decay of random correlation functions for unimodal maps

    Science.gov (United States)

    Baladi, Viviane; Benedicks, Michael; Maume-Deschamps, Véronique

    2000-10-01

    Since the pioneering results of Jakobson and subsequent work by Benedicks-Carleson and others, it is known that quadratic maps tfa( χ) = a - χ2 admit a unique absolutely continuous invariant measure for a positive measure set of parameters a. For topologically mixing tfa, Young and Keller-Nowicki independently proved exponential decay of correlation functions for this a.c.i.m. and smooth observables. We consider random compositions of small perturbations tf + ωt, with tf = tfa or another unimodal map satisfying certain nonuniform hyperbolicity axioms, and ωt chosen independently and identically in [-ɛ, ɛ]. Baladi-Viana showed exponential mixing of the associated Markov chain, i.e., averaging over all random itineraries. We obtain stretched exponential bounds for the random correlation functions of Lipschitz observables for the sample measure μωof almost every itinerary.

  11. Temporal correlation functions of concentration fluctuations: an anomalous case.

    Science.gov (United States)

    Lubelski, Ariel; Klafter, Joseph

    2008-10-09

    We calculate, within the framework of the continuous time random walk (CTRW) model, multiparticle temporal correlation functions of concentration fluctuations (CCF) in systems that display anomalous subdiffusion. The subdiffusion stems from the nonstationary nature of the CTRW waiting times, which also lead to aging and ergodicity breaking. Due to aging, a system of diffusing particles tends to slow down as time progresses, and therefore, the temporal correlation functions strongly depend on the initial time of measurement. As a consequence, time averages of the CCF differ from ensemble averages, displaying therefore ergodicity breaking. We provide a simple example that demonstrates the difference between these two averages, a difference that might be amenable to experimental tests. We focus on the case of ensemble averaging and assume that the preparation time of the system coincides with the starting time of the measurement. Our analytical calculations are supported by computer simulations based on the CTRW model.

  12. Finite-size effects on current correlation functions

    Science.gov (United States)

    Chen, Shunda; Zhang, Yong; Wang, Jiao; Zhao, Hong

    2014-02-01

    We study why the calculation of current correlation functions (CCFs) still suffers from finite-size effects even when the periodic boundary condition is taken. Two important one-dimensional, momentum-conserving systems are investigated as examples. Intriguingly, it is found that the state of a system recurs in the sense of microcanonical ensemble average, and such recurrence may result in oscillations in CCFs. Meanwhile, we find that the sound mode collisions induce an extra time decay in a current so that its correlation function decays faster (slower) in a smaller (larger) system. Based on these two unveiled mechanisms, a procedure for correctly evaluating the decay rate of a CCF is proposed, with which our analysis suggests that the global energy CCF decays as ˜t-2/3 in the diatomic hard-core gas model and in a manner close to ˜t-1/2 in the Fermi-Pasta-Ulam-β model.

  13. Total Correlation Function Integrals and Isothermal Compressibilities from Molecular Simulations

    DEFF Research Database (Denmark)

    Wedberg, Rasmus; Peters, Günther H.j.; Abildskov, Jens

    2008-01-01

    Generation of thermodynamic data, here compressed liquid density and isothermal compressibility data, using molecular dynamics simulations is investigated. Five normal alkane systems are simulated at three different state points. We compare two main approaches to isothermal compressibilities: (1...... in approximately the same amount of time. This suggests that computation of total correlation function integrals is a route to isothermal compressibility, as accurate and fast as well-established benchmark techniques. A crucial step is the integration of the radial distribution function. To obtain sensible results...

  14. CCFpams: Atmospheric stellar parameters from cross-correlation functions

    Science.gov (United States)

    Malavolta, Luca; Lovis, Christophe; Pepe, Francesco; Sneden, Christopher; Udry, Stephane

    2017-07-01

    CCFpams allows the measurement of stellar temperature, metallicity and gravity within a few seconds and in a completely automated fashion. Rather than performing comparisons with spectral libraries, the technique is based on the determination of several cross-correlation functions (CCFs) obtained by including spectral features with different sensitivity to the photospheric parameters. Literature stellar parameters of high signal-to-noise (SNR) and high-resolution HARPS spectra of FGK Main Sequence stars are used to calibrate the stellar parameters as a function of CCF areas.

  15. Finite Element Modelling for Static and Free Vibration Response of Functionally Graded Beam

    Directory of Open Access Journals (Sweden)

    Ateeb Ahmad Khan

    Full Text Available Abstract A 1D Finite Element model for static response and free vibration analysis of functionally graded material (FGM beam is presented in this work. The FE model is based on efficient zig-zag theory (ZIGT with two noded beam element having four degrees of freedom at each node. Linear interpolation is used for the axial displacement and cubic hermite interpolation is used for the deflection. Out of a large variety of FGM systems available, Al/SiC and Ni/Al2O3 metal/ceramic FGM system has been chosen. Modified rule of mixture (MROM is used to calculate the young's modulus and rule of mixture (ROM is used to calculate density and poisson's ratio of FGM beam at any point. The MATLAB code based on 1D FE zigzag theory for FGM elastic beams is developed. A 2D FE model for the same elastic FGM beam has been developed using ABAQUS software. An 8-node biquadratic plane stress quadrilateral type element is used for modeling in ABAQUS. Three different end conditions namely simply-supported, cantilever and clamped- clamped are considered. The deflection, normal stress and shear stress has been reported for various models used. Eigen Value problem using subspace iteration method is solved to obtain un-damped natural frequencies and the corresponding mode shapes. The results predicted by the 1D FE model have been compared with the 2D FE results and the results present in open literature. This proves the correctness of the model. Finally, mode shapes have also been plotted for various FGM systems.

  16. Quantum electrodynamics and light rays. [Two-point correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Sudarshan, E.C.G.

    1978-11-01

    Light is a quantum electrodynamic entity and hence bundles of rays must be describable in this framework. The duality in the description of elementary optical phenomena is demonstrated in terms of two-point correlation functions and in terms of collections of light rays. The generalizations necessary to deal with two-slit interference and diffraction by a rectangular slit are worked out and the usefulness of the notion of rays of darkness illustrated. 10 references.

  17. Charmonium correlators and spectral functions at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Ding,H.T.; Kaczmarek, O.; Karsch, F.; Satz, H.

    2008-09-01

    We present an operational approach to address the in-medium behavior of charmonium and analyze the reliability of maximum entropy method (MEM). We study the dependences of the ratio of correlators to the reconstructed one and the free one on the resonance's width and the continuum's threshold. Furthermore, we discuss the issue of the default model dependence of the spectral function obtained from MEM.

  18. Correlation functions of one-dimensional bosons at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Kozlowski, K.K. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Maillet, J.M. [CNRS, ENS Lyon (France). Lab. de Physique; Slavnov, N.A. [Steklov Mathematical Institute, Moscow (Russian Federation)

    2010-12-15

    We consider the low-temperature limit of the long-distance asymptotic behavior of the finite temperature density-density correlation function in the one-dimensional Bose gas derived recently in the algebraic Bethe Ansatz framework. Our results confirm the predictions based on the Luttinger liquid and conformal field theory approaches. We also demonstrate that the amplitudes arising in this asymptotic expansion at low-temperature coincide with the amplitudes associated with the so-called critical form factors. (orig.)

  19. On Soft Limits of Large-Scale Structure Correlation Functions

    OpenAIRE

    Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

    2014-01-01

    We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we re-derive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literat...

  20. An improved method for estimating the frequency correlation function

    KAUST Repository

    Chelli, Ali; Pä tzold, Matthias

    2012-01-01

    For time-invariant frequency-selective channels, the transfer function is a superposition of waves having different propagation delays and path gains. In order to estimate the frequency correlation function (FCF) of such channels, the frequency averaging technique can be utilized. The obtained FCF can be expressed as a sum of auto-terms (ATs) and cross-terms (CTs). The ATs are caused by the autocorrelation of individual path components. The CTs are due to the cross-correlation of different path components. These CTs have no physical meaning and leads to an estimation error. We propose a new estimation method aiming to improve the estimation accuracy of the FCF of a band-limited transfer function. The basic idea behind the proposed method is to introduce a kernel function aiming to reduce the CT effect, while preserving the ATs. In this way, we can improve the estimation of the FCF. The performance of the proposed method and the frequency averaging technique is analyzed using a synthetically generated transfer function. We show that the proposed method is more accurate than the frequency averaging technique. The accurate estimation of the FCF is crucial for the system design. In fact, we can determine the coherence bandwidth from the FCF. The exact knowledge of the coherence bandwidth is beneficial in both the design as well as optimization of frequency interleaving and pilot arrangement schemes. © 2012 IEEE.

  1. An improved method for estimating the frequency correlation function

    KAUST Repository

    Chelli, Ali

    2012-04-01

    For time-invariant frequency-selective channels, the transfer function is a superposition of waves having different propagation delays and path gains. In order to estimate the frequency correlation function (FCF) of such channels, the frequency averaging technique can be utilized. The obtained FCF can be expressed as a sum of auto-terms (ATs) and cross-terms (CTs). The ATs are caused by the autocorrelation of individual path components. The CTs are due to the cross-correlation of different path components. These CTs have no physical meaning and leads to an estimation error. We propose a new estimation method aiming to improve the estimation accuracy of the FCF of a band-limited transfer function. The basic idea behind the proposed method is to introduce a kernel function aiming to reduce the CT effect, while preserving the ATs. In this way, we can improve the estimation of the FCF. The performance of the proposed method and the frequency averaging technique is analyzed using a synthetically generated transfer function. We show that the proposed method is more accurate than the frequency averaging technique. The accurate estimation of the FCF is crucial for the system design. In fact, we can determine the coherence bandwidth from the FCF. The exact knowledge of the coherence bandwidth is beneficial in both the design as well as optimization of frequency interleaving and pilot arrangement schemes. © 2012 IEEE.

  2. Statistical Study of Turbulence: Spectral Functions and Correlation Coefficients

    Science.gov (United States)

    Frenkiel, Francois N.

    1958-01-01

    In reading the publications on turbulence of different authors, one often runs the risk of confusing the various correlation coefficients and turbulence spectra. We have made a point of defining, by appropriate concepts, the differences which exist between these functions. Besides, we introduce in the symbols a few new characteristics of turbulence. In the first chapter, we study some relations between the correlation coefficients and the different turbulence spectra. Certain relations are given by means of demonstrations which could be called intuitive rather than mathematical. In this way we demonstrate that the correlation coefficients between the simultaneous turbulent velocities at two points are identical, whether studied in Lagrange's or in Euler's systems. We then consider new spectra of turbulence, obtained by study of the simultaneous velocities along a straight line of given direction. We determine some relations between these spectra and the correlation coefficients. Examining the relation between the spectrum of the turbulence measured at a fixed point and the longitudinal-correlation curve given by G. I. Taylor, we find that this equation is exact only when the coefficient is very small.

  3. Effects of Eight Months of Whole-Body Vibration Training on the Muscle Mass and Functional Capacity of Elderly Women.

    Science.gov (United States)

    Santin-Medeiros, Fernanda; Rey-López, Juan P; Santos-Lozano, Alejandro; Cristi-Montero, Carlos S; Garatachea Vallejo, Nuria

    2015-07-01

    Few intervention studies have used whole-body vibration (WBV) training in the elderly, and there is inconclusive evidence about its health benefits. We examined the effect of 8 months of WBV training on muscle mass and functional capacity in elderly women. A total of 37 women (aged 82.4 ± 5.7 years) voluntarily participated in this study. Subjects were randomly assigned to a vibration group (n = 19) or a control group (n = 18). The vibration group trained on a vertical vibration platform twice a week. The control group was requested not to change their habitual lifestyle. The quadriceps femoris muscle cross-sectional area was determined by magnetic resonance imaging. All participants were evaluated by a battery of tests (Senior Fitness Test) to determine their functional capacity, as well as handgrip strength and balance/gait. General linear repeated-measure analysis of variance (group by time) was performed to examine the effect of the intervention on the outcomes variables. After 8 months, nonstatistically significant differences in the quadriceps CSA (pre-training: 8,516.16 ± 1,271.78 mm² and post-training: 8,671.63 ± 1,389.03 mm²) (p > 0.05) were found in the WBV group (Cohen's d: -0.12), whereas the CON group significantly decreased muscle mass (pre-training: 9,756.18 ± 1,420.07 mm² and post-training: 9,326.82 ± 1,577.53 mm²), with moderate effect size evident (Cohen's d: 0.29). In both groups, no changes were observed in the functional capacity, handgrip strength and balance/gait. The WBV training could prevent the loss of quadriceps CSA in elderly women.

  4. Two-proton correlation functions in nuclear reactions

    International Nuclear Information System (INIS)

    Verde, G.

    2001-01-01

    Full text: Proton-proton correlation functions can be used to study the space-time characteristics of nuclear reactions. For very short-lived sources, the maximum value of the correlation at 20 MeV/c, due to the attractive nature of the S-wave phase shift, provides a unique measure of the size of the emitting source. For long-lived sources, the height of this maximum depends, in addition, on the life time of the source. In this talk, we investigate the common reaction scenario involving both fast dynamical as well as slower emissions from evaporation and/or secondary decays of heavy fragments. We show that the maximum at 20 MeV/c depends both on the source dimension and on the fraction of coincident proton pairs produced in the early stage of the reaction, dominated by fast dynamical preequilibrium emission. The width of the peak at 20 MeV/c, on the other hand, is uniquely correlated to the size of the source. Hence, the size of the emitting source must be extracted from the width or, even better, from the entire shape of the correlation peak, and not from the height. By numerically inverting the measured correlation function, we show that existing data determine only the shape of the fast dynamical source and that its size changes little with proton momenta, contrary to previous analyses with Gaussian sources of zero-lifetime. We further show that the well documented dramatic decrease in the correlation maximum with decreasing total proton momentum reflects directly a corresponding decrease in the fraction of contributing proton pairs from preequilibrium emissions. This provides a powerful method to decompose the proton spectrum into a fraction that originates from fast dynamical emission and a complimentary fraction that originates from slower evaporative emission or secondary decays. We discuss also the comparison of such correlations to transport theories and the generalizations of these techniques to correlations between composite particles. Such studies can

  5. Correlates of cognitive function scores in elderly outpatients.

    Science.gov (United States)

    Mangione, C M; Seddon, J M; Cook, E F; Krug, J H; Sahagian, C R; Campion, E W; Glynn, R J

    1993-05-01

    To determine medical, ophthalmologic, and demographic predictors of cognitive function scores as measured by the Telephone Interview for Cognitive Status (TICS), an adaptation of the Folstein Mini-Mental Status Exam. A secondary objective was to perform an item-by-item analysis of the TICS scores to determine which items correlated most highly with the overall scores. Cross-sectional cohort study. The Glaucoma Consultation Service of the Massachusetts Eye and Ear Infirmary. 472 of 565 consecutive patients age 65 and older who were seen at the Glaucoma Consultation Service between November 1, 1987 and October 31, 1988. Each subject had a standard visual examination and review of medical history at entry, followed by a telephone interview that collected information on demographic characteristics, cognitive status, health status, accidents, falls, symptoms of depression, and alcohol intake. A multivariate linear regression model of correlates of TICS score found the strongest correlates to be education, age, occupation, and the presence of depressive symptoms. The only significant ocular condition that correlated with lower TICS score was the presence of surgical aphakia (model R2 = .46). Forty-six percent (216/472) of patients fell below the established definition of normal on the mental status scale. In a logistic regression analysis, the strongest correlates of an abnormal cognitive function score were age, diabetes, educational status, and occupational status. An item analysis using step-wise linear regression showed that 85 percent of the variance in the TICS score was explained by the ability to perform serial sevens and to repeat 10 items immediately after hearing them. Educational status correlated most highly with both of these items (Kendall Tau R = .43 and Kendall Tau R = .30, respectively). Education, occupation, depression, and age were the strongest correlates of the score on this new screening test for assessing cognitive status. These factors were

  6. Acute effects of whole-body vibration on the motor function of patients with stroke: a randomized clinical trial.

    Science.gov (United States)

    Silva, Adriana Teresa; Dias, Miqueline Pivoto Faria; Calixto, Ruanito; Carone, Antonio Luis; Martinez, Beatriz Bertolaccini; Silva, Andreia Maria; Honorato, Donizeti Cesar

    2014-04-01

    The aim of this study was to investigate the acute effects of whole-body vibration on the motor function of patients with stroke. The present investigation was a randomized clinical trial studying 43 individuals with hemiparesis after stroke, with 33 subjects allocated to the intervention group and 10 subjects allocated to the control group. The intervention group was subjected to one session of vibration therapy (frequency of 50 Hz and amplitude of 2 mm) comprising four 1-min series with 1-min rest intervals between series in three body positions: bipedal stances with the knees flexed to 30 degrees and 90 degrees and a unipedal stance on the paretic limb. The analytical tests were as follows: simultaneous electromyography of the affected and unaffected tibialis anterior and rectus femoris muscles bilaterally in voluntary isometric contraction; the Six-Minute Walk Test; the Stair-Climb Test; and the Timed Get-Up-and-Go Test. The data were analyzed by independent and paired t tests and by analysis of covariance. There was no evidence of effects on the group and time interaction relative to variables affected side rectus femoris, unaffected side rectus femoris, affected side tibialis anterior, unaffected side tibialis anterior, and the Stair-Climb Test (P > 0.05). There was evidence of effects on the group interaction relative to variables Six-Minute Walk Test and Timed Get-Up-and-Go Test (P < 0.05). Whole-body vibration contributed little to improve the functional levels of stroke patients.

  7. Electron energy distribution functions and thermalization times in methane and in argon--methane mixtures: An effect of vibrational excitation processes

    International Nuclear Information System (INIS)

    Krajcar-Bronic, I.; Kimura, M.

    1995-01-01

    Electron thermalization in methane and argon--methane mixtures is studied by using the Boltzmann equation. The presence of low-lying vibrational excited states in methane significantly changes electron energy distribution functions and relaxation times. We found that (i) the mean electron energy just below the first vibrational excited state is reached faster by 1000 times when the vibrational states are taken into account, and (ii) electron energy distribution functions have distinct peaks at energy intervals equal to the vibrational threshold energies. Both these effects are due to large vibrational stopping cross section. The thermalization time in mixtures of argon--methane (without vibrational states) smoothly changes as the mixture composition varies, and no significant difference in the electron energy distribution function is observed. When the vibrational excited states are taken into account, thermalization is almost completely defined by CH 4 , even at very low fractional concentrations of CH 4 . The sensitivity of the electron energy distribution functions on the momentum transfer cross sections used in calculation on the thermalization is discussed. copyright 1995 American Institute of Physics

  8. Scaling behaviour of the correlation length for the two-point correlation function in the random field Ising chain

    Energy Technology Data Exchange (ETDEWEB)

    Lange, Adrian; Stinchcombe, Robin [Theoretical Physics, University of Oxford, Oxford (United Kingdom)

    1996-07-07

    We study the general behaviour of the correlation length {zeta}(kT:h) for two-point correlation function of the local fields in an Ising chain with binary distributed fields. At zero field it is shown that {zeta} is the same as the zero-field correlation length for the spin-spin correlation function. For the field-dominated behaviour of {zeta} we find an exponent for the power-law divergence which is smaller than the exponent for the spin-spin correlation length. The entire behaviour of the correlation length can be described by a single crossover scaling function involving the new critical exponent. (author)

  9. Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

    DEFF Research Database (Denmark)

    Eriksen, Troels K; Karlsen, Eva; Spanget-Larsen, Jens

    2015-01-01

    The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers...

  10. Free vibration analysis of a rotary smart two directional functionally graded piezoelectric material in axial symmetry circular nanoplate

    Science.gov (United States)

    Mahinzare, Mohammad; Ranjbarpur, Hosein; Ghadiri, Majid

    2018-02-01

    In this article, free vibration of a rotating circular nanoplate made of two directional functionally graded piezo materials (two directional FGPM) is modeled based on the first shear deformation theory (FSDT). Based on the power-law model, electro-elastic properties of two directional FGP rotating circular nanoplates are supposed to change continuously along the thickness and radius. Employing the modified couple stress theory, the small size effect of the equations of the plate is considered. The governing equations of the first shear deformation theory (FSDT) for the studied plate are obtained based on Hamilton's principle; these equations are solved using differential quadrature method (DQM). It is shown that the vibration behavior of the plate is significantly affected by angular velocity, external electric voltage, size dependency and power-law index (thickness and radial directions).

  11. Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional

    Science.gov (United States)

    Teixeira, Filipe; Melo, André; Cordeiro, M. Natália D. S.

    2010-09-01

    A linear least-squares methodology was used to determine the vibrational scaling factors for the X3LYP density functional. Uncertainties for these scaling factors were calculated according to the method devised by Irikura et al. [J. Phys. Chem. A 109, 8430 (2005)]. The calibration set was systematically partitioned according to several of its descriptors and the scaling factors for X3LYP were recalculated for each subset. The results show that the scaling factors are only significant up to the second digit, irrespective of the calibration set used. Furthermore, multivariate statistical analysis allowed us to conclude that the scaling factors and the associated uncertainties are independent of the size of the calibration set and strongly suggest the practical impossibility of obtaining vibrational scaling factors with more than two significant digits.

  12. Vibration and bending behavior of functionally graded nanocomposite doubly-curved shallow shells reinforced by graphene nanoplatelets

    Science.gov (United States)

    Wang, Aiwen; Chen, Hongyan; Hao, Yuxin; Zhang, Wei

    2018-06-01

    Free vibration and static bending of functionally graded (FG) graphene nanoplatelet (GPL) reinforced composite doubly-curved shallow shells with three distinguished distributions are analyzed. Material properties with gradient variation in the thickness aspect are evaluated by the modified Halpin-Tsai model. Mathematical model of the simply supported doubly-curved shallow shells rests upon Hamilton Principle and a higher order shear deformation theory (HSDT). The free vibration frequencies and bending deflections are gained by taking into account Navier technique. The agreement between the obtained results and ANSYS as well as the prior results in the open literature verifies the accuracy of the theory in this article. Further, parametric studies are accomplished to highlight the significant influence of GPL distribution patterns and weight fraction, stratification number, dimensions of GPLs and shells on the mechanical behavior of the system.

  13. Fast methods for spatially correlated multilevel functional data

    KAUST Repository

    Staicu, A.-M.

    2010-01-19

    We propose a new methodological framework for the analysis of hierarchical functional data when the functions at the lowest level of the hierarchy are correlated. For small data sets, our methodology leads to a computational algorithm that is orders of magnitude more efficient than its closest competitor (seconds versus hours). For large data sets, our algorithm remains fast and has no current competitors. Thus, in contrast to published methods, we can now conduct routine simulations, leave-one-out analyses, and nonparametric bootstrap sampling. Our methods are inspired by and applied to data obtained from a state-of-the-art colon carcinogenesis scientific experiment. However, our models are general and will be relevant to many new data sets where the object of inference are functions or images that remain dependent even after conditioning on the subject on which they are measured. Supplementary materials are available at Biostatistics online.

  14. Reduced density-matrix functional theory: Correlation and spectroscopy.

    Science.gov (United States)

    Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P

    2015-07-14

    In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

  15. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  16. Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

    DEFF Research Database (Denmark)

    Barsberg, Soren

    2015-01-01

    Lignin is the most abundant aromatic plant polymer on earth. Useful information on its structure and interactions is gained by vibrational spectroscopy and relies on the quality of band assignments. B3LYP predictions were recently shown to support band assignments. Further progress calls...

  17. Approximate models for the analysis of laser velocimetry correlation functions

    International Nuclear Information System (INIS)

    Robinson, D.P.

    1981-01-01

    Velocity distributions in the subchannels of an eleven pin test section representing a slice through a Fast Reactor sub-assembly were measured with a dual beam laser velocimeter system using a Malvern K 7023 digital photon correlator for signal processing. Two techniques were used for data reduction of the correlation function to obtain velocity and turbulence values. Whilst both techniques were in excellent agreement on the velocity, marked discrepancies were apparent in the turbulence levels. As a consequence of this the turbulence data were not reported. Subsequent investigation has shown that the approximate technique used as the basis of Malvern's Data Processor 7023V is restricted in its range of application. In this note alternative approximate models are described and evaluated. The objective of this investigation was to develop an approximate model which could be used for on-line determination of the turbulence level. (author)

  18. [Occupational standing vibration rate and vibrational diseases].

    Science.gov (United States)

    Karnaukh, N G; Vyshchipan, V F; Haumenko, B S

    2003-12-01

    Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.

  19. The ion-electron correlation function in liquid metals

    International Nuclear Information System (INIS)

    Takeda, S.; Tamaki, S.; Waseda, Y.

    1985-01-01

    The structure factors of liquid Zn at 723 K, Sn at 523 K and Bi at 573 K have been determined by neutron diffraction with sufficient accuracy and compared with those of X-ray diffraction. A remarkable difference in the structural information between the two methods is clearly found around the first peak region as well as in the slightly varied peak positions, and it is apparently larger than the experimental errors. With these facts in mind, a new method evaluating the ion-electron correlation function in liquid metals has been proposed by using the measured structural data of X-rays and neutrons, with the help of theoretical values of the electron-electron correlation function by he Utsumi-Ichimaru scheme. This method has been applied to liquid Zn, Sn and Bi, and the radial distribution function of valence electrons around an ion has been estimated, from which the ionic radius and the schematic diagram of the electron distribution map are obtained. The ionic radii evaluated in this work have been found to agree well with those proposed by Pauling. (author)

  20. A New Triangular Hybrid Displacement Function Element for Static and Free Vibration Analyses of Mindlin-Reissner Plate

    Directory of Open Access Journals (Sweden)

    Jun-Bin Huang

    Full Text Available Abstract A new 3-node triangular hybrid displacement function Mindlin-Reissner plate element is developed. Firstly, the modified variational functional of complementary energy for Mindlin-Reissner plate, which is eventually expressed by a so-called displacement function F, is proposed. Secondly, the locking-free formulae of Timoshenko’s beam theory are chosen as the deflection, rotation, and shear strain along each element boundary. Thirdly, seven fundamental analytical solutions of the displacement function F are selected as the trial functions for the assumed resultant fields, so that the assumed resultant fields satisfy all governing equations in advance. Finally, the element stiffness matrix of the new element, denoted by HDF-P3-7β, is derived from the modified principle of complementary energy. Together with the diagonal inertia matrix of the 3-node triangular isoparametric element, the proposed element is also successfully generalized to the free vibration problems. Numerical results show that the proposed element exhibits overall remarkable performance in all benchmark problems, especially in the free vibration analyses.

  1. Time-dependent friction and solvation time correlation function

    International Nuclear Information System (INIS)

    Samanta, Alok; Ali, Sk Musharaf; Ghosh, Swapan K

    2005-01-01

    We have derived a new relation between the time-dependent friction and solvation time correlation function (STCF) for non-polar fluids. The friction values calculated using this relation and simulation results on STCF for a Lennard-Jones fluid are shown to have excellent agreement with the same obtained through mode-coupling theory. Also derived is a relation between the time-dependent dielectric friction and STCF for polar fluids. Routes are thus provided to obtain the time-dependent friction (non-polar as well as dielectric) from an experimentally measured quantity like STCF, even if the interparticle interaction potential is not known

  2. Yang-Mills correlation functions from integrable spin chains

    International Nuclear Information System (INIS)

    Roiban, Radu; Volovich, Anastasia

    2004-01-01

    The relation between the dilatation operator of N = 4 Yang-Mills theory and integrable spin chains makes it possible to compute the one-loop anomalous dimensions of all operators in the theory. In this paper we show how to apply the technology of integrable spin chains to the calculation of Yang-Mills correlation functions by expressing them in terms of matrix elements of spin operators on the corresponding spin chain. We illustrate this method with several examples in the SU(2) sector described by the XXX 1/2 chain. (author)

  3. Vibration monitoring of the primary piping systems during the hot functional tests of the Mulheim-Karlich PWR

    International Nuclear Information System (INIS)

    Bauernfeind, V.; Bloem, T.; Pache, W.; Diederich, H.J.

    1989-01-01

    During the hot functional tests of the Muelheim--Kaerlich first-of-a-kind plant, vibration measurements were made on the reactor pressure vessel and its' internals and on the primary piping system and main coolant pumps. This paper contains results of the measurements taken on the pipes and the pumps with an interpretation of these measurements based on an analytical model of the primary system. The main aim of the measurement program is to confirm that the components, which are of new design, are adequately dimensioned for the operational vibration loads during the service life of the reactor. In addition, the vibrational modes of the hot lines, the steam generators and the pumps with the adjacent cold lines were determined. These values were compared with the analytically calculated resonance frequencies and eigenforms. Good agreement was found. In the course of these comparisons, information on the modelling of the supporting structures and the efficiency of the damping elements during normal operation was obtained

  4. Green's functions for off-shell electromagnetism and spacelike correlations

    International Nuclear Information System (INIS)

    Land, M.C.; Horwitz, L.P.

    1991-01-01

    The requirement of gauge invariance for the Schwinger-DeWitt equations, interpreted as a manifestly covariant quantum theory for the evolution of a system in spacetime, implies the existence of a five-dimensional pre-Maxwell field on the manifold of spacetime and proper time τ. The Maxwell theory is contained in this theory; integration of the field equations over τ restores the Maxwell equations with the usual interpretation of the sources. Following Schwinger's techniques, the authors study the Green's functions for the five dimensional hyperbolic field equations for both signatures ± [corresponding to O(4, 1) or O(3, 2) symmetry of the field equations] of the proper time derivative. The classification of the Green's functions follows that of the four-dimensional theory for massive fields, for which the mass squared may be positive or negative, respectively. The Green's function for the five-dimensional field are then given by the Fourier transform over the mass parameter. They derive the Green's functions corresponding to the principal part Δ P and the homogeneous function Δ t ; all of the Green's functions can be expressed in terms of these, as for the usual field equations with definite mass. In the O(3, 2) case, the principal part function has support for x 2 ≥ τ 2 , corresponding to spacelike propagation, as well as along the light cone X 2 = 0 (for τ = 0). There can be no transmission of information in spacelike directions, with this propagator, since the Maxwell field, obtained by integration over τ, does not contain this component of the support. Measurements are characterized by such an integration. The spacelike field therefore can dynamically establish spacelike correlations

  5. Conformal correlation functions in the Brownian loop soup

    Science.gov (United States)

    Camia, Federico; Gandolfi, Alberto; Kleban, Matthew

    2016-01-01

    We define and study a set of operators that compute statistical properties of the Brownian loop soup, a conformally invariant gas of random Brownian loops (Brownian paths constrained to begin and end at the same point) in two dimensions. We prove that the correlation functions of these operators have many of the properties of conformal primaries in a conformal field theory, and compute their conformal dimension. The dimensions are real and positive, but have the novel feature that they vary continuously as a periodic function of a real parameter. We comment on the relation of the Brownian loop soup to the free field, and use this relation to establish that the central charge of the loop soup is twice its intensity.

  6. Conformal correlation functions in the Brownian loop soup

    Energy Technology Data Exchange (ETDEWEB)

    Camia, Federico, E-mail: federico.camia@nyu.edu [New York University Abu Dhabi (United Arab Emirates); VU University, Amsterdam (Netherlands); Gandolfi, Alberto, E-mail: albertogandolfi@nyu.edu [New York University Abu Dhabi (United Arab Emirates); Università di Firenze (Italy); Kleban, Matthew, E-mail: kleban@nyu.edu [New York University Abu Dhabi (United Arab Emirates); Center for Cosmology and Particle Physics, Department of Physics, New York University (United States)

    2016-01-15

    We define and study a set of operators that compute statistical properties of the Brownian loop soup, a conformally invariant gas of random Brownian loops (Brownian paths constrained to begin and end at the same point) in two dimensions. We prove that the correlation functions of these operators have many of the properties of conformal primaries in a conformal field theory, and compute their conformal dimension. The dimensions are real and positive, but have the novel feature that they vary continuously as a periodic function of a real parameter. We comment on the relation of the Brownian loop soup to the free field, and use this relation to establish that the central charge of the loop soup is twice its intensity.

  7. Conformal correlation functions in the Brownian loop soup

    Directory of Open Access Journals (Sweden)

    Federico Camia

    2016-01-01

    Full Text Available We define and study a set of operators that compute statistical properties of the Brownian loop soup, a conformally invariant gas of random Brownian loops (Brownian paths constrained to begin and end at the same point in two dimensions. We prove that the correlation functions of these operators have many of the properties of conformal primaries in a conformal field theory, and compute their conformal dimension. The dimensions are real and positive, but have the novel feature that they vary continuously as a periodic function of a real parameter. We comment on the relation of the Brownian loop soup to the free field, and use this relation to establish that the central charge of the loop soup is twice its intensity.

  8. 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.

  9. Active constrained layer damping of geometrically nonlinear vibrations of functionally graded plates using piezoelectric fiber-reinforced composites

    International Nuclear Information System (INIS)

    Panda, Satyajit; Ray, M C

    2008-01-01

    In this paper, a geometrically nonlinear dynamic analysis has been presented for functionally graded (FG) plates integrated with a patch of active constrained layer damping (ACLD) treatment and subjected to a temperature field. The constraining layer of the ACLD treatment is considered to be made of the piezoelectric fiber-reinforced composite (PFRC) material. The temperature field is assumed to be spatially uniform over the substrate plate surfaces and varied through the thickness of the host FG plates. The temperature-dependent material properties of the FG substrate plates are assumed to be graded in the thickness direction of the plates according to a power-law distribution while the Poisson's ratio is assumed to be a constant over the domain of the plate. The constrained viscoelastic layer of the ACLD treatment is modeled using the Golla–Hughes–McTavish (GHM) method. Based on the first-order shear deformation theory, a three-dimensional finite element model has been developed to model the open-loop and closed-loop nonlinear dynamics of the overall FG substrate plates under the thermal environment. The analysis suggests the potential use of the ACLD treatment with its constraining layer made of the PFRC material for active control of geometrically nonlinear vibrations of FG plates in the absence or the presence of the temperature gradient across the thickness of the plates. It is found that the ACLD treatment is more effective in controlling the geometrically nonlinear vibrations of FG plates than in controlling their linear vibrations. The analysis also reveals that the ACLD patch is more effective for controlling the nonlinear vibrations of FG plates when it is attached to the softest surface of the FG plates than when it is bonded to the stiffest surface of the plates. The effect of piezoelectric fiber orientation in the active constraining PFRC layer on the damping characteristics of the overall FG plates is also discussed

  10. Active constrained layer damping of geometrically nonlinear vibrations of functionally graded plates using piezoelectric fiber-reinforced composites

    Science.gov (United States)

    Panda, Satyajit; Ray, M. C.

    2008-04-01

    In this paper, a geometrically nonlinear dynamic analysis has been presented for functionally graded (FG) plates integrated with a patch of active constrained layer damping (ACLD) treatment and subjected to a temperature field. The constraining layer of the ACLD treatment is considered to be made of the piezoelectric fiber-reinforced composite (PFRC) material. The temperature field is assumed to be spatially uniform over the substrate plate surfaces and varied through the thickness of the host FG plates. The temperature-dependent material properties of the FG substrate plates are assumed to be graded in the thickness direction of the plates according to a power-law distribution while the Poisson's ratio is assumed to be a constant over the domain of the plate. The constrained viscoelastic layer of the ACLD treatment is modeled using the Golla-Hughes-McTavish (GHM) method. Based on the first-order shear deformation theory, a three-dimensional finite element model has been developed to model the open-loop and closed-loop nonlinear dynamics of the overall FG substrate plates under the thermal environment. The analysis suggests the potential use of the ACLD treatment with its constraining layer made of the PFRC material for active control of geometrically nonlinear vibrations of FG plates in the absence or the presence of the temperature gradient across the thickness of the plates. It is found that the ACLD treatment is more effective in controlling the geometrically nonlinear vibrations of FG plates than in controlling their linear vibrations. The analysis also reveals that the ACLD patch is more effective for controlling the nonlinear vibrations of FG plates when it is attached to the softest surface of the FG plates than when it is bonded to the stiffest surface of the plates. The effect of piezoelectric fiber orientation in the active constraining PFRC layer on the damping characteristics of the overall FG plates is also discussed.

  11. Pulmonary alveolar proteinosis: Quantitative CT and pulmonary functional correlations

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Yubao, E-mail: yubaoguan@163.com [Department of Radiology, the First Affiliated Hospital of Guangzhou Medical College, Guangzhou 510120 (China); State Key Laboratory of Respiratory Disease, Guangzhou 510120 (China); Zeng, Qingsi [Department of Radiology, the First Affiliated Hospital of Guangzhou Medical College, Guangzhou 510120 (China); Yang, Haihong; Zheng, Jinping; Li, Shiyue; Gao, Yi [State Key Laboratory of Respiratory Disease, Guangzhou 510120 (China); Deng, Yu [Department of Radiology, the First Affiliated Hospital of Guangzhou Medical College, Guangzhou 510120 (China); Mei, Jiang [State Key Laboratory of Respiratory Disease, Guangzhou 510120 (China); He, Jianxing, E-mail: jianxing63@163.com [State Key Laboratory of Respiratory Disease, Guangzhou 510120 (China); Zhong, Nanshan, E-mail: nanshan@vip.163.com [State Key Laboratory of Respiratory Disease, Guangzhou 510120 (China)

    2012-09-15

    Objective: We assessed the relationship between quantitative computer tomography (qCT) and the pulmonary function test (PFT) or blood gas analysis in pulmonary alveolar proteinosis (PAP) patients, as well as the utility of these analyses to monitor responses to whole lung lavage (WLL) therapy. Methods: Thirty-eight PAP patients simultaneously received a CT scan and PFT. Fifteen of these patients, undergoing sequential WLL for a total of 20 lavages, also underwent chest CT scans and blood gas analysis before and after WLL, and 14 of 15 patients underwent simultaneous PFT analysis. Differences between the qCT and PFT results were analyzed by canonical correlation. Results: PAP patients with low predicted values for FVC, FEV1, D{sub LCO} and D{sub LCO}/VA indicated small airspace volume and mean lung inflation, low airspace volume/total lung volume ratio and high mean lung density. Correlation and regression analysis revealed a strong correlation between D{sub LCO} and PaO{sub 2} values with CT results. The qCT results indicated that WLL significantly decreased lung weights and mean lung densities, and improved the total airspace volume/total lung volume ratios and mean lung inflations. Conclusion: Quantitative CT may be a sensitive tool for measuring the response of PAP patients to medical interventions such as WLL.

  12. Correlation of anatomy and function in medulla oblongata infarction.

    Science.gov (United States)

    Eggers, C; Fink, G R; Möller-Hartmann, W; Nowak, D A

    2009-02-01

    A presentation of all aspects of the dorsolateral medulla oblongata syndrome is clinically very rare to find. In most cases patients present with fragmentary symptoms, e.g. ipsilateral axial lateropulsion, nystagmus, dysarthria, dysphagia or hemiataxia. However, the clinical presentation and lesion anatomy at the level of the medulla oblongata is still unsatisfactory. The aim of this study was to correlate the functional deficit with structural MRI-data. We included thirteen patients (eight male, five female, mean age 65.5) with medulla oblongata infarction with clinically predominant ipsilateral axial lateropulsion and correlated clinical with structural deficits. Magnetic resonance imaging lesion mapping demonstrated ipsilateral axial lateropulsion to result from lesions of the spinocerebellar tract, the inferior cerebellar peduncle or the inferior vestibular nucleus. Nystagmus was associated with lesions of the inferior vestibular nucleus, dissociated sensory loss with the spinothalamic tract and hemiataxia with the spinocerebellar tract. Correlating dysfunction and lesion anatomy is a promising approach to enhance our knowledge on medulla oblongata topography.

  13. Summability of Connected Correlation Functions of Coupled Lattice Fields

    Science.gov (United States)

    Lukkarinen, Jani; Marcozzi, Matteo; Nota, Alessia

    2018-04-01

    We consider two nonindependent random fields ψ and φ defined on a countable set Z. For instance, Z=Z^d or Z=Z^d× I, where I denotes a finite set of possible "internal degrees of freedom" such as spin. We prove that, if the cumulants of ψ and φ enjoy a certain decay property, then all joint cumulants between ψ and φ are ℓ _2-summable in the precise sense described in the text. The decay assumption for the cumulants of ψ and φ is a restricted ℓ _1 summability condition called ℓ _1-clustering property. One immediate application of the results is given by a stochastic process ψ _t(x) whose state is ℓ _1-clustering at any time t: then the above estimates can be applied with ψ =ψ _t and φ =ψ _0 and we obtain uniform in t estimates for the summability of time-correlations of the field. The above clustering assumption is obviously satisfied by any ℓ _1-clustering stationary state of the process, and our original motivation for the control of the summability of time-correlations comes from a quest for a rigorous control of the Green-Kubo correlation function in such a system. A key role in the proof is played by the properties of non-Gaussian Wick polynomials and their connection to cumulants

  14. Fluid dynamic forces acting on a circular tube bundle in cross flow. Proposals of generation condition of vortex-induced vibration and correlation equation of turbulence-induced exciting force

    International Nuclear Information System (INIS)

    Inada, Fumio; Yoneda, Kimitoshi; Yasuo, Akira; Nishihara, Takashi

    2000-01-01

    In the circular tube bundle immersed in the crossflow, the exciting force induced by the turbulence and periodically discharged vortices becomes large, and it is necessary to confirm a long-term integrity to the flow induced vibration. In this report, the local fluid exciting force and the correlation length in the direction of tube axis were measured. The exciting force acting on the first row was smaller than that inside the tube bundle, and the exciting force was almost saturated at the third row. As for vortex induced vibration, there could be an influence when a dimensionless frequency was 0.4 or less. When vortex induced vibration did not affect the vibration, a correlation composed of a correlation length and power spectrum density of the local fluid exciting force were proposed, with which we could estimate the amplitude of the vibration. A computer program to estimate the vibration amplitude and maximum stress was made using the flow velocity distribution and the mode of vibration. (author)

  15. Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

    Science.gov (United States)

    Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker

    2017-08-01

    Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.

  16. On form factors and correlation functions in twistor space

    International Nuclear Information System (INIS)

    Koster, Laura; Mitev, Vladimir; Staudacher, Matthias; Wilhelm, Matthias

    2017-01-01

    In this paper, we continue our study of form factors and correlation functions of gauge-invariant local composite operators in the twistor-space formulation of N=4 super Yang-Mills theory. Using the vertices for these operators obtained in our recent papers (DOI: 10.1103/PhysRevLett.117.011601; 10.1007/JHEP06(2016)162 ), we show how to calculate the twistor-space diagrams for general N k MHV form factors via the inverse soft limit, in analogy to the amplitude case. For general operators without α-dot indices, we then reexpress the NMHV form factors from the position-twistor calculation in terms of momentum twistors, deriving and expanding on a relation between the two twistor formalisms previously observed in the case of amplitudes. Furthermore, we discuss the calculation of generalized form factors and correlation functions as well as the extension to loop level, in particular providing an argument promised in https://www.doi.org/10.1002/prop.201400085.

  17. Twist operator correlation functions in O(n) loop models

    International Nuclear Information System (INIS)

    Simmons, Jacob J H; Cardy, John

    2009-01-01

    Using conformal field theoretic methods we calculate correlation functions of geometric observables in the loop representation of the O(n) model at the critical point. We focus on correlation functions containing twist operators, combining these with anchored loops, boundaries with SLE processes and with double SLE processes. We focus further upon n = 0, representing self-avoiding loops, which corresponds to a logarithmic conformal field theory (LCFT) with c = 0. In this limit the twist operator plays the role of a 0-weight indicator operator, which we verify by comparison with known examples. Using the additional conditions imposed by the twist operator null states, we derive a new explicit result for the probabilities that an SLE 8/3 winds in various ways about two points in the upper half-plane, e.g. that the SLE passes to the left of both points. The collection of c = 0 logarithmic CFT operators that we use deriving the winding probabilities is novel, highlighting a potential incompatibility caused by the presence of two distinct logarithmic partners to the stress tensor within the theory. We argue that both partners do appear in the theory, one in the bulk and one on the boundary and that the incompatibility is resolved by restrictive bulk-boundary fusion rules

  18. Adrenal phaeochromocytoma: correlation of MRI appearances with histology and function

    International Nuclear Information System (INIS)

    Jacques, Audrey E.T.; Sahdev, Anju; Sandrasagara, Madrika; Rockall, Andrea G.; Reznek, Rodney H.; Goldstein, Rick; Chew, Shern; Berney, Daniel

    2008-01-01

    The purpose of this study was to describe the range of appearances of adrenal phaeochromocytomas on T2-weighted MRI, correlate appearances with histopathology, and quantify the incidence of the previously described hyperintense appearance. The appearance and MR characteristics of 44 phaeochromocytomas were reviewed retrospectively. T2-weighted appearances were grouped: (1) 'classical', homogeneous, high signal intensity, isointense to CSF; (2) homogeneous, isointense or minimally hyperintense to spleen, hypointense to CSF; (3) heterogeneous, marbled appearance; (4) heterogeneous, multiple high signal intensity pockets. All 44 adrenal phaeochromocytomas were well circumscribed, 1.2-15 cm in maximum diameter, with no visual or quantitative signal loss on chemical shift imaging. On T2-weighted MRI 5/44 (11%) had group 1 appearance; 15/44 (34%) group 2, 7/44 (16%) group 3; and 17/44 (39%) group 4. Homogeneous group 1 and 2 lesions were smaller (mean 4.5 cm) than heterogeneous group 3 and 4 lesions (mean 6.3 cm). Increasing MRI heterogeneity correlated pathologically with increasing amounts of haemorrhage, necrosis and fibrosis. No MRI features were predictive of malignancy. Non-functioning phaeochromocytomas were larger than functioning lesions. No size difference was seen between syndrome and sporadic lesions. In this large series we report a wide range of appearances of adrenal phaeochromocytomas on T2-weighted MRI. The previously described classical hyperintense phaeochromocytoma is relatively uncommon. (orig.)

  19. Correlating Function and Imaging Measures of the Medial Longitudinal Fasciculus.

    Directory of Open Access Journals (Sweden)

    Ken Sakaie

    Full Text Available To test the validity of diffusion tensor imaging (DTI measures of tissue injury by examining such measures in a white matter structure with well-defined function, the medial longitudinal fasciculus (MLF. Injury to the MLF underlies internuclear ophthalmoparesis (INO.40 MS patients with chronic INO and 15 healthy controls were examined under an IRB-approved protocol. Tissue integrity of the MLF was characterized by DTI parameters: longitudinal diffusivity (LD, transverse diffusivity (TD, mean diffusivity (MD and fractional anisotropy (FA. Severity of INO was quantified by infrared oculography to measure versional disconjugacy index (VDI.LD was significantly lower in patients than in controls in the medulla-pons region of the MLF (p < 0.03. FA was also lower in patients in the same region (p < 0.0004. LD of the medulla-pons region correlated with VDI (R = -0.28, p < 0.05 as did FA in the midbrain section (R = 0.31, p < 0.02.This study demonstrates that DTI measures of brain tissue injury can detect injury to a functionally relevant white matter pathway, and that such measures correlate with clinically accepted evaluation indices for INO. The results validate DTI as a useful imaging measure of tissue integrity.

  20. On form factors and correlation functions in twistor space

    Energy Technology Data Exchange (ETDEWEB)

    Koster, Laura [Institut für Mathematik, Institut für Physik und IRIS Adlershof,Humboldt-Universität zu Berlin,Zum Großen Windkanal 6, 12489 Berlin (Germany); Mitev, Vladimir [PRISMA Cluster of Excellence, Institut für Physik, WA THEP,Johannes Gutenberg-Universität Mainz,Staudingerweg 7, 55128 Mainz (Germany); Staudacher, Matthias [Institut für Mathematik, Institut für Physik und IRIS Adlershof,Humboldt-Universität zu Berlin,Zum Großen Windkanal 6, 12489 Berlin (Germany); Wilhelm, Matthias [Niels Bohr Institute, Copenhagen University,Blegdamsvej 17, 2100 Copenhagen Ø (Denmark)

    2017-03-24

    In this paper, we continue our study of form factors and correlation functions of gauge-invariant local composite operators in the twistor-space formulation of N=4 super Yang-Mills theory. Using the vertices for these operators obtained in our recent papers (DOI: 10.1103/PhysRevLett.117.011601; 10.1007/JHEP06(2016)162 ), we show how to calculate the twistor-space diagrams for general N{sup k}MHV form factors via the inverse soft limit, in analogy to the amplitude case. For general operators without α-dot indices, we then reexpress the NMHV form factors from the position-twistor calculation in terms of momentum twistors, deriving and expanding on a relation between the two twistor formalisms previously observed in the case of amplitudes. Furthermore, we discuss the calculation of generalized form factors and correlation functions as well as the extension to loop level, in particular providing an argument promised in https://www.doi.org/10.1002/prop.201400085.

  1. Correlation functions in unitary minimal Liouville gravity and Frobenius manifolds

    Energy Technology Data Exchange (ETDEWEB)

    Belavin, V. [I.E. Tamm Department of Theoretical Physics, P.N. Lebedev Physical Institute,Leninsky prospect 53, 119991 Moscow (Russian Federation); Department of Quantum Physics, Institute for Information Transmission Problems,Bolshoy Karetny per. 19, 127994 Moscow (Russian Federation); Department of Theoretical Physics, National Research Nuclear University MEPhI,Kashirskoe shosse 31, 115409 Moscow (Russian Federation)

    2015-02-10

    We continue to study minimal Liouville gravity (MLG) using a dual approach based on the idea that the MLG partition function is related to the tau function of the A{sub q} integrable hierarchy via the resonance transformations, which are in turn fixed by conformal selection rules. One of the main problems in this approach is to choose the solution of the Douglas string equation that is relevant for MLG. The appropriate solution was recently found using connection with the Frobenius manifolds. We use this solution to investigate three- and four-point correlators in the unitary MLG models. We find an agreement with the results of the original approach in the region of the parameters where both methods are applicable. In addition, we find that only part of the selection rules can be satisfied using the resonance transformations. The physical meaning of the nonzero correlators, which before coupling to Liouville gravity are forbidden by the selection rules, and also the modification of the dual formulation that takes this effect into account remains to be found.

  2. A novel fiber-optical vibration defending system with on-line intelligent identification function

    Science.gov (United States)

    Wu, Huijuan; Xie, Xin; Li, Hanyu; Li, Xiaoyu; Wu, Yu; Gong, Yuan; Rao, Yunjiang

    2013-09-01

    Capacity of the sensor network is always a bottleneck problem for the novel FBG-based quasi-distributed fiberoptical defending system. In this paper, a highly sensitive sensing network with FBG vibration sensors is presented to relieve stress of the capacity and the system cost. However, higher sensitivity may cause higher Nuisance Alarm Rates (NARs) in practical uses. It is necessary to further classify the intrusion pattern or threat level and determine the validity of an unexpected event. Then an intelligent identification method is proposed by extracting the statistical features of the vibration signals in the time domain, and inputting them into a 3-layer Back-Propagation(BP) Artificial Neural Network to classify the events of interest. Experiments of both simulation and field tests are carried out to validate its effectiveness. The results show the recognition rate can be achieved up to 100% for the simulation signals and as high as 96.03% in the real tests.

  3. Resonant frequency function of thickness-shear vibrations of rectangular crystal plates.

    Science.gov (United States)

    Wang, Ji; Yang, Lijun; Pan, Qiaoqiao; Chao, Min-Chiang; Du, Jianke

    2011-05-01

    The resonant frequencies of thickness-shear vibrations of quartz crystal plates in rectangular and circular shapes are always required in the design and manufacturing of quartz crystal resonators. As the size of quartz crystal resonators shrinks, for rectangular plates we must consider effects of both length and width for the precise calculation of resonant frequency. Starting from the three-dimensional equations of wave propagation in finite crystal plates and the general expression of vibration modes, we obtained the relations between frequency and wavenumbers. By satisfying the major boundary conditions of the dominant thickness-shear mode, three wavenumber solutions are obtained and the frequency equation is constructed. It is shown the resonant frequency of thickness-shear mode is a second-order polynomial of aspect ratios. This conforms to known results in the simplest form and is applicable to further analytical and experimental studies of the frequency equation of quartz crystal resonators.

  4. The Self-Correlation Function of Real Gases

    International Nuclear Information System (INIS)

    Sigmar, D.J.

    1965-01-01

    In the formal theory of inelastic scattering of neutrons, the self-correlation function has been worked out in terms of statistical averages of the derivatives of die N-body interaction-potential of the scatterer. In the present paper, these averages are evaluated for real gases by means of a cluster-expansion related to that of Mayer-Ursell. This leads to certain non-linear types of clusters, which are investigated with respect to the topology of the graphs, their multiplicity (by combinatorial analysis) and their quadrature. As one expects, in view of the many-body problem, some of the clusters are not separable and have to be machine-integrated. In this way, the self-correlation function γ s (K, t) is cálculated for short times, including also the first non-Gaussian term. The cluster-expansion breaks off after the first interaction term, so that the results are valid for low density only. This still gives rise to very many different types of clusters, containing up to seven points, for each coefficient. The assumed potential is a general two-particle, hard-core type. As Singwi et al. have shown, the long time behaviour of γs is determined by the time integral of the velocity auto-correlation: ∫ ∞ 0 K (0) V K (t) > T dt. To construct the integrand for all times, we can make use of our cluster-expansion for small t and adopt Langevin’s diffusion theory for large t. Numerical computations are under way. (author) [fr

  5. New real space correlated-basis-functions approach for the electron correlations of the semiconductor inversion layer

    International Nuclear Information System (INIS)

    Feng Weiguo; Wang Hongwei; Wu Xiang

    1989-12-01

    Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs

  6. A study of correlation functions for the delta-function fermi gas

    International Nuclear Information System (INIS)

    Berkovich, A.

    1987-01-01

    In this dissertation, the author considers the quantum nonlinear Schrodinger model, describing a non-relativistic, finite-density gas of one-dimensional fermions with repulsive delta-function interaction. The author employs the quantum inverse scattering method and temperature Green function technique to derive some new results for the two-point, equal-time correlation function. For the case of zero temperature, it is shown that the correlation function in the infinite coupling limit (c → ∞) can be expressed concisely in terms of the solution of the Painleve equation of the fifth kind. The author, then, extends this result and obtains an exact expression for the order (1/c) correction to the two-point function in terms of the Painleve transcendents. This work is essentially self-contained; both old and new results are presented and discussed at some length

  7. Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

    Science.gov (United States)

    Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

    2015-04-21

    We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

  8. Correlations between respiratory and functional variables in heart failure

    Directory of Open Access Journals (Sweden)

    Fábio Cangeri Di Naso

    2009-09-01

    Full Text Available Background: Respiratory alterations can impact on the functional performance of patients with heart failure. Aim: To correlate maximum inspiratory muscular force and lung function variables with functional capacity in heart failure patients. Methods: A transversal study January-July 2007 with 42 chronic heart disease patients (28 males with no prior pulmonary illness. The patients were in New York Heart Association Functional Class I, II and III. The variables used were maximum inspiratory pressure, forced vital capacity and forced expiratory volume in the first second. Respiratory variables measured were distance covered in the six-minute walk test, NYHA functional class and the physical functioning domain of the Short Form-36 Quality of Life Questionnaire. Results: Maximum inspiratory pressure correlated with the six-minute walk test (r = 0.543 and p < 0.001, functional capacity (r = −0.566 and p < 0.001 and the physical functioning domain score of the Short Form-36 (r = 0.459 and p = 0.002. The same was true of forced vital capacity and the six-minute walk test (r = 0.501 and p = 0.001, functional capacity (r = −0.477 and p = 0.001 and Short Form-36 (r = 0.314 and p = 0.043 variables. Forced expiratory volume correlated with the distance covered in the six-minute walk test (r = 0.514 and p < 0.001 and functional capacity (r = −0.383 and p = 0.012. Conclusion: Lung function and inspiratory muscular force respiratory variables correlated with functional variables in patients with heart failure. Resumo: Fundamento: Alterações respiratórias podem influenciar o desempenho funcional em doentes com insuficiência cardíaca (IC. Objectivo: Correlacionar a força muscular inspiratória máxima (PImax e as variáveis da função pulmonar com a capacidade funcional em doentes com IC. Métodos: Estudo transversal

  9. Functional representation for the grand partition function of a multicomponent system of charged particles: Correlation functions of the reference system

    Directory of Open Access Journals (Sweden)

    O.V.Patsahan

    2006-01-01

    Full Text Available Based on the method of collective variables (CV with a reference system, the exact expression for the functional of the grand partition function of a m-component ionic model with charge and size asymmetry is found. Particular attention is paid to the n-th particle correlation functions of the reference system which is presented as a m-component system of "colour" hard spheres of the same diameter. A two-component model is considered in more detail. In this case the recurrence formulas for the correlation functions are found. A general case of a m-component inhomogeneous system of the "colour" hard spheres is also analysed.

  10. Research on Free Vibration Frequency Characteristics of Rotating Functionally Graded Material Truncated Conical Shells with Eccentric Functionally Graded Material Stringer and Ring Stiffeners

    Directory of Open Access Journals (Sweden)

    Dao Van Dung

    Full Text Available Abstract In this research work, an exact analytical solution for frequency characteristics of the free vibration of rotating functionally graded material (FGM truncated conical shells reinforced by eccentric FGM stringers and rings has been investigated by the displacement function method. Material properties of shell and stiffeners are assumed to be graded in the thickness direction according to a simple power law distribution. The change of spacing between stringers is considered. Using the Donnell shell theory, Leckhnisky smeared stiffeners technique and taking into account the influences of centrifugal force and Coriolis acceleration the governing equations are derived. For stiffened FGM conical shells, it is difficult that free vibration equations are a couple set of three variable coefficient partial differential equations. By suitable transformations and applying Galerkin method, this difficulty is overcome in the paper. The sixth order polynomial equation for w is obtained and it is used to analyze the frequency characteristics of rotating ES-FGM conical shells. Effects of stiffener, geometrics parameters, cone angle, vibration modes and rotating speed on frequency characteristics of the shell forward and backward wave are discussed in detail. The present approach proves to be reliable and accurate by comparing with published results available in the literature.

  11. Density functional theory, comparative vibrational spectroscopic studies, highest occupied molecular orbital and lowest unoccupied molecular orbital analysis of Linezolid

    Science.gov (United States)

    Rajalakshmi, K.; Gunasekaran, S.; Kumaresan, S.

    2015-06-01

    The Fourier transform infrared spectra and Fourier transform Raman spectra of Linezolid have been recorded in the regions 4,000-400 and 4,000-100 cm-1, respectively. Utilizing the observed Fourier transform infrared spectra and Fourier transform Raman spectra data, a complete vibrational assignment and analysis of the fundamental modes of the compound have been carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, have been calculated by density functional theory with 6-31G(d,p), 6-311G(d,p) and M06-2X/6-31G(d,p) levels. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. A detailed interpretation of the infrared and Raman spectra of Linezolid is reported. Mulliken's net charges have also been calculated. Ultraviolet-visible spectrum of the title molecule has also been calculated using time-dependent density functional method. Besides, molecular electrostatic potential, highest occupied molecular orbital and lowest unoccupied molecular orbital analysis and several thermodynamic properties have been performed by the density functional theoretical method.

  12. Singular value correlation functions for products of Wishart random matrices

    International Nuclear Information System (INIS)

    Akemann, Gernot; Kieburg, Mario; Wei, Lu

    2013-01-01

    We consider the product of M quadratic random matrices with complex elements and no further symmetry, where all matrix elements of each factor have a Gaussian distribution. This generalizes the classical Wishart–Laguerre Gaussian unitary ensemble with M = 1. In this paper, we first compute the joint probability distribution for the singular values of the product matrix when the matrix size N and the number M are fixed but arbitrary. This leads to a determinantal point process which can be realized in two different ways. First, it can be written as a one-matrix singular value model with a non-standard Jacobian, or second, for M ⩾ 2, as a two-matrix singular value model with a set of auxiliary singular values and a weight proportional to the Meijer G-function. For both formulations, we determine all singular value correlation functions in terms of the kernels of biorthogonal polynomials which we explicitly construct. They are given in terms of the hypergeometric and Meijer G-functions, generalizing the Laguerre polynomials for M = 1. Our investigation was motivated from applications in telecommunication of multi-layered scattering multiple-input and multiple-output channels. We present the ergodic mutual information for finite-N for such a channel model with M − 1 layers of scatterers as an example. (paper)

  13. First principle approach to correlation functions of spin-1/2 Heisenberg chain: fourth-neighbor correlators

    International Nuclear Information System (INIS)

    Boos, H.E.; Shiroishi, M.; Takahashi, M.

    2005-01-01

    We show how correlation functions of the spin-1/2 Heisenberg chain without magnetic field in the anti-ferromagnetic ground state can be explicitly calculated using information contained in the quantum Knizhnik-Zamolodchikov equation [qKZ]. We find several fundamental relations which the inhomogeneous correlations should fulfill. On the other hand, it turns out that these relations can fix the form of the correlations uniquely. Actually, applying this idea, we have obtained all the correlation functions on five sites. Particularly by taking the homogeneous limit, we have got the analytic form of the fourth-neighbor pair correlator j z S j+4 z >

  14. Improved non-dimensional dynamic influence function method for vibration analysis of arbitrarily shaped plates with clamped edges

    Directory of Open Access Journals (Sweden)

    Sang-Wook Kang

    2016-03-01

    Full Text Available A new formulation for the non-dimensional dynamic influence function method, which was developed by the authors, is proposed to efficiently extract eigenvalues and mode shapes of clamped plates with arbitrary shapes. Compared with the finite element and boundary element methods, the non-dimensional dynamic influence function method yields highly accurate solutions in eigenvalue analysis problems of plates and membranes including acoustic cavities. However, the non-dimensional dynamic influence function method requires the uneconomic procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues because it produces a non-algebraic eigenvalue problem. This article describes a new approach that reduces the problem of free vibrations of clamped plates to an algebraic eigenvalue problem, the solution of which is straightforward. The validity and efficiency of the proposed method are illustrated through several numerical examples.

  15. The velocity correlation function in cosmic-ray diffusion theory

    International Nuclear Information System (INIS)

    Forman, M.A.

    1977-01-01

    The concept of velocity correlation functions is introduced and applied to the calculation of cosmic ray spatial diffusion coefficients. It is assumed that the pitch angle scattering coefficient is already known from some other theory, and is reasonably well-behaved. Previous results for the coefficient for diffusion parallel to the mean field are recovered when the velocity-changing mechanism is artificially restricted to pitch angle scattering. The velocity correlation method is then applied to the more general case where there are fluctuations in the local mean field. It is found that the parallel diffusion coefficient is reduced in proportion to the amplitude of the field fluctuations, and that the ratio of the perpendicular to parallel diffusion coefficients cannot be greater than 2 >/B 0 2 . It is shown in the appendix that the Liouville form of the scattering equation implies that the Fokker-Planck coefficients (Δμ 2 )/Δt=2Dsub(μμ) and (Δμ)/Δt=deltaDsub(μμ)/deltaμ, and that all higher-order coefficients are identically zero. (Auth.)

  16. Functional Cortical Network in Alpha Band Correlates with Social Bargaining

    Science.gov (United States)

    Billeke, Pablo; Zamorano, Francisco; Chavez, Mario; Cosmelli, Diego; Aboitiz, Francisco

    2014-01-01

    Solving demanding tasks requires fast and flexible coordination among different brain areas. Everyday examples of this are the social dilemmas in which goals tend to clash, requiring one to weigh alternative courses of action in limited time. In spite of this fact, there are few studies that directly address the dynamics of flexible brain network integration during social interaction. To study the preceding, we carried out EEG recordings while subjects played a repeated version of the Ultimatum Game in both human (social) and computer (non-social) conditions. We found phase synchrony (inter-site-phase-clustering) modulation in alpha band that was specific to the human condition and independent of power modulation. The strength and patterns of the inter-site-phase-clustering of the cortical networks were also modulated, and these modulations were mainly in frontal and parietal regions. Moreover, changes in the individuals’ alpha network structure correlated with the risk of the offers made only in social conditions. This correlation was independent of changes in power and inter-site-phase-clustering strength. Our results indicate that, when subjects believe they are participating in a social interaction, a specific modulation of functional cortical networks in alpha band takes place, suggesting that phase synchrony of alpha oscillations could serve as a mechanism by which different brain areas flexibly interact in order to adapt ongoing behavior in socially demanding contexts. PMID:25286240

  17. Correlation functions and susceptibilities of photonics band gap reservoirs

    International Nuclear Information System (INIS)

    Konopka, M.

    1998-01-01

    We investigate quantum statistical properties of photonic band gap reservoirs in terms of correlation functions and susceptibilities in time and spectral domains. Typical features are oscillations of the time-dependent correlation functions and susceptibilities. This is because photonic bad gap reservoirs are intrinsically non-Markovian reservoirs. The results help us to understand better how intrinsic quantum-statistical properties of a reservoir influence dynamics of an atom interacting with this reservoir. Boundary conditions influence time and spectral properties of the electromagnetic field. This well-known fact has a great importance in optics and generally in electromagnetism. Specific examples are resonators used in laser technique and cavity electrodynamics. In quantum optics high-Q micro cavities are used for single-atom experiments when an atom can interact in a coherent way with an electromagnetic field which has its mode structure totally different from those in free space. In particular, interaction of an (effectively) two-level atom with a single-mode cavity field was observed in the region of microwaves (with the wavelength about 1 cm). In 1987 Yablonovitch and John independently proposed that certain periodic dielectric structures can present forbidden frequency gaps (or pseudo gaps in partially disordered structures) for transverse modes. Such periodic structures were named 'photonic band structures' or 'photonic crystals', in analogy with electronic crystals which also have a (forbidden) gap for electronic energy. For true photonic crystals the basic property of blocking electromagnetic wave propagation must be fulfilled for all waves within some frequency range, i.e. for all wavevector and polarization directions

  18. Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory

    Czech Academy of Sciences Publication Activity Database

    Andrushchenko, Valery; Benda, Ladislav; Páv, Ondřej; Dračínský, Martin; Bouř, Petr

    2015-01-01

    Roč. 119, č. 33 (2015), s. 10682-10692 ISSN 1520-6106 R&D Projects: GA ČR GA13-26526S; GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA ČR GA15-09072S Grant - others:GA AV ČR(CZ) M200550902; GA MŠk(CZ) LM2010005; GA MŠk(CZ) ED3.2.00/08.0144 Institutional support: RVO:61388963 Keywords : DNA phosphate group * vibrational spectroscopy * spectra simulations * MD/DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.187, year: 2015

  19. Two-point boundary correlation functions of dense loop models

    Directory of Open Access Journals (Sweden)

    Alexi Morin-Duchesne, Jesper Lykke Jacobsen

    2018-06-01

    Full Text Available We investigate six types of two-point boundary correlation functions in the dense loop model. These are defined as ratios $Z/Z^0$ of partition functions on the $m\\times n$ square lattice, with the boundary condition for $Z$ depending on two points $x$ and $y$. We consider: the insertion of an isolated defect (a and a pair of defects (b in a Dirichlet boundary condition, the transition (c between Dirichlet and Neumann boundary conditions, and the connectivity of clusters (d, loops (e and boundary segments (f in a Neumann boundary condition. For the model of critical dense polymers, corresponding to a vanishing loop weight ($\\beta = 0$, we find determinant and pfaffian expressions for these correlators. We extract the conformal weights of the underlying conformal fields and find $\\Delta = -\\frac18$, $0$, $-\\frac3{32}$, $\\frac38$, $1$, $\\tfrac \\theta \\pi (1+\\tfrac{2\\theta}\\pi$, where $\\theta$ encodes the weight of one class of loops for the correlator of type f. These results are obtained by analysing the asymptotics of the exact expressions, and by using the Cardy-Peschel formula in the case where $x$ and $y$ are set to the corners. For type b, we find a $\\log|x-y|$ dependence from the asymptotics, and a $\\ln (\\ln n$ term in the corner free energy. This is consistent with the interpretation of the boundary condition of type b as the insertion of a logarithmic field belonging to a rank two Jordan cell. For the other values of $\\beta = 2 \\cos \\lambda$, we use the hypothesis of conformal invariance to predict the conformal weights and find $\\Delta = \\Delta_{1,2}$, $\\Delta_{1,3}$, $\\Delta_{0,\\frac12}$, $\\Delta_{1,0}$, $\\Delta_{1,-1}$ and $\\Delta_{\\frac{2\\theta}\\lambda+1,\\frac{2\\theta}\\lambda+1}$, extending the results of critical dense polymers. With the results for type f, we reproduce a Coulomb gas prediction for the valence bond entanglement entropy of Jacobsen and Saleur.

  20. Damage Detection of Structures for Ambient Loading Based on Cross Correlation Function Amplitude and SVM

    Directory of Open Access Journals (Sweden)

    Lin-sheng Huo

    2016-01-01

    Full Text Available An effective method for the damage detection of skeletal structures which combines the cross correlation function amplitude (CCFA with the support vector machine (SVM is presented in this paper. The proposed method consists of two stages. Firstly, the data features are extracted from the CCFA, which, calculated from dynamic responses and as a representation of the modal shapes of the structure, changes when damage occurs on the structure. The data features are then input into the SVM with the one-against-one (OAO algorithm to classify the damage status of the structure. The simulation data of IASC-ASCE benchmark model and a vibration experiment of truss structure are adopted to verify the feasibility of proposed method. The results show that the proposed method is suitable for the damage identification of skeletal structures with the limited sensors subjected to ambient excitation. As the CCFA based data features are sensitive to damage, the proposed method demonstrates its reliability in the diagnosis of structures with damage, especially for those with minor damage. In addition, the proposed method shows better noise robustness and is more suitable for noisy environments.

  1. Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study.

    Science.gov (United States)

    Mondal, Anirban; Balasubramanian, Sundaram

    2015-02-05

    Hydrogen bonding in alkylammonium based protic ionic liquids was studied using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Normal-mode analysis within the harmonic approximation and power spectra of velocity autocorrelation functions were used as tools to obtain the vibrational spectra in both the gas phase and the crystalline phases of these protic ionic liquids. The hydrogen bond vibrational modes were identified in the 150-240 cm(-1) region of the far-infrared (far-IR) spectra. A blue shift in the far-IR mode was observed with an increasing number of hydrogen-bonding sites on the cation; the exact peak position is modulated by the cation-anion hydrogen bond strength. Sub-100 cm(-1) bands in the far-IR spectrum are assigned to the rattling motion of the anions. Calculated NMR chemical shifts of the acidic protons in the crystalline phase of these salts also exhibit the signature of cation-anion hydrogen bonding.

  2. Behavioral correlates of anxiety in well-functioning older adults.

    Science.gov (United States)

    Losada, Andrés; Márquez-González, María; Pachana, Nancy A; Wetherell, Julie L; Fernández-Fernández, Virginia; Nogales-González, Celia; Ruiz-Díaz, Miguel

    2015-07-01

    Research on the behavioral correlates of anxiety in older adults is sparse. The aim of this study was to explore the association of anxiety with behavioral patterns defined by health, activity, emotional and social variables. A convenience sample of 395 older adults completed measures of health, activity, emotions, social variables and experiential avoidance. Cross-sectional data were analysed using cluster analysis. Five clusters were identified: active healthy, healthy, active vulnerable, lonely inactive and frail lonely. Participants in the active healthy and healthy clusters showed the highest scores on health variables (vitality and physical function), and adaptive scores on the rest of variables. They also reported the lowest scores on anxiety and included the lowest number of cases with clinically significant anxiety levels. Active vulnerable showed high scores on social support, leisure activities and capitalization on them but low scores in vitality and physical functioning. Participants in the lonely inactive cluster reported the highest mean score in experiential avoidance and high scores on boredom and loneliness, and low scores on social support, leisure activities capitalizing on pleasant activities and health variables. Frail lonely represent a particularly vulnerable profile of participants, similar to that of lonely inactive, but with significantly lower scores on health variables and higher scores on boredom and hours watching TV. Anxiety in older adults is not only linked to poor health, but also to dysfunctional social behavior, loneliness, boredom and experiential avoidance. Maladaptive profiles of older adults with regard to these variables have been identified.

  3. Elucidation of spin echo small angle neutron scattering correlation functions through model studies.

    Science.gov (United States)

    Shew, Chwen-Yang; Chen, Wei-Ren

    2012-02-14

    Several single-modal Debye correlation functions to approximate part of the overall Debey correlation function of liquids are closely examined for elucidating their behavior in the corresponding spin echo small angle neutron scattering (SESANS) correlation functions. We find that the maximum length scale of a Debye correlation function is identical to that of its SESANS correlation function. For discrete Debye correlation functions, the peak of SESANS correlation function emerges at their first discrete point, whereas for continuous Debye correlation functions with greater width, the peak position shifts to a greater value. In both cases, the intensity and shape of the peak of the SESANS correlation function are determined by the width of the Debye correlation functions. Furthermore, we mimic the intramolecular and intermolecular Debye correlation functions of liquids composed of interacting particles based on a simple model to elucidate their competition in the SESANS correlation function. Our calculations show that the first local minimum of a SESANS correlation function can be negative and positive. By adjusting the spatial distribution of the intermolecular Debye function in the model, the calculated SESANS spectra exhibit the profile consistent with that of hard-sphere and sticky-hard-sphere liquids predicted by more sophisticated liquid state theory and computer simulation. © 2012 American Institute of Physics

  4. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

    International Nuclear Information System (INIS)

    Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

    2015-01-01

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials

  5. Exact analytical solution of shear-induced flexural vibration of functionally graded piezoelectric beam

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Pankaj, E-mail: psharma@rtu.ac.in; Parashar, Sandeep Kumar, E-mail: parashar2@yahoo.com [Mechanical Engineering Department, Rajasthan Technical University, Kota (India)

    2016-05-06

    The priority of this paper is to obtain the exact analytical solution for free flexural vibration of FGPM beam actuated using the d{sub 15} effect. In piezoelectric actuators, the potential use of d{sub 15} effect has been of particular interest for engineering applications since shear piezoelectric coefficient d15 is much higher than the other piezoelectric coupling constants d{sub 31} and d{sub 33}. The applications of shear actuators are to induce and control the flexural vibrations of beams and plates. In this study, a modified Timoshenko beam theory is used where electric potential is assumed to vary sinusoidaly along the thickness direction. The material properties are assumed to be graded across the thickness in accordance with power law distribution. Hamilton's principle is employed to obtain the equations of motion along with the associated boundary conditions for FGPM beams. Exact analytical solution is derived thus obtained equations of motion. Results for clamped-clamped and clamped-free boundary conditions are presented. The presented result and method shell serve as benchmark for comparing the results obtained from the other approximate methods.

  6. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations

    Science.gov (United States)

    Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile

    2007-06-01

    The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.

  7. Vacuum correlation functions for ghost superfields and multiloop amplitudes in the theory of closed superstrings

    International Nuclear Information System (INIS)

    Danilov, G.S.

    1995-01-01

    A new formalism for ghosts on complex (1 bar 1) supermanifolds of genus n > 1 is discussed in superstring theory. In this formalism, vacuum correlation functions for ghost superfields differ substantially from correlation functions discussed earlier. In particular, the new correlation functions do not have unphysical poles. Among other things, these correlation functions take into account contributions to partition functions from the phase space of modular forms and from zero modes of ghosts. The above correlation functions, obtained for all even spinor structures, can be used to evaluate partition functions from equations that are nothing but Ward identities. 21 refs

  8. Approximate self-consistent potentials for density-functional-theory exchange-correlation functionals

    International Nuclear Information System (INIS)

    Cafiero, Mauricio; Gonzalez, Carlos

    2005-01-01

    We show that potentials for exchange-correlation functionals within the Kohn-Sham density-functional-theory framework may be written as potentials for simpler functionals multiplied by a factor close to unity, and in a self-consistent field calculation, these effective potentials find the correct self-consistent solutions. This simple theory is demonstrated with self-consistent exchange-only calculations of the atomization energies of some small molecules using the Perdew-Kurth-Zupan-Blaha (PKZB) meta-generalized-gradient-approximation (meta-GGA) exchange functional. The atomization energies obtained with our method agree with or surpass previous meta-GGA calculations performed in a non-self-consistent manner. The results of this work suggest the utility of this simple theory to approximate exchange-correlation potentials corresponding to energy functionals too complicated to generate closed forms for their potentials. We hope that this method will encourage the development of complex functionals which have correct boundary conditions and are free of self-interaction errors without the worry that the functionals are too complex to differentiate to obtain potentials

  9. The Galaxy Count Correlation Function in Redshift Space Revisited

    Science.gov (United States)

    Campagne, J.-E.; Plaszczynski, S.; Neveu, J.

    2017-08-01

    In the near future, cosmology will enter the wide and deep galaxy survey era, enabling high-precision studies of the large-scale structure of the universe in three dimensions. To test cosmological models and determine their parameters accurately, it is necessary to use data with exact theoretical expectations expressed in observational parameter space (angles and redshift). The data-driven, galaxy number count fluctuations on redshift shells can be used to build correlation functions ξ (θ ,{z}1,{z}2) on and between shells to probe the baryonic acoustic oscillations and distance-redshift distortions, as well as gravitational lensing and other relativistic effects. To obtain a numerical estimation of ξ (θ ,{z}1,{z}2) from a cosmological model, it is typical to use either a closed form derived from a tripolar spherical expansion or to compute the power spectrum {C}{\\ell }({z}1,{z}2) and perform a Legendre polynomial {P}{\\ell }(\\cos θ ) expansion. Here, we present a new derivation of a ξ (θ ,{z}1,{z}2) closed form using the spherical harmonic expansion and proceeding to an infinite sum over multipoles thanks to an addition theorem. We demonstrate that this new expression is perfectly compatible with the existing closed forms but is simpler to establish and manipulate. We provide formulas for the leading density and redshift-space contributions, but also show how Doppler-like and lensing terms can be easily included in this formalism. We have implemented and made publicly available software for computing those correlations efficiently, without any Limber approximation, and validated this software with the CLASSgal code. It is available at https://gitlab.in2p3.fr/campagne/AngPow.

  10. Temporal discrimination, a cervical dystonia endophenotype: penetrance and functional correlates.

    Science.gov (United States)

    Kimmich, Okka; Molloy, Anna; Whelan, Robert; Williams, Laura; Bradley, David; Balsters, Joshua; Molloy, Fiona; Lynch, Tim; Healy, Daniel G; Walsh, Cathal; O'Riordan, Seán; Reilly, Richard B; Hutchinson, Michael

    2014-05-01

    The pathogenesis of adult-onset primary dystonia remains poorly understood. There is variable age-related and gender-related expression of the phenotype, the commonest of which is cervical dystonia. Endophenotypes may provide insight into underlying genetic and pathophysiological mechanisms of dystonia. The temporal discrimination threshold (TDT)-the shortest time interval at which two separate stimuli can be detected as being asynchronous-is abnormal both in patients with cervical dystonia and in their unaffected first-degree relatives. Functional magnetic resonance imaging (fMRI) studies have shown that putaminal activation positively correlates with the ease of temporal discrimination between two stimuli in healthy individuals. We hypothesized that abnormal temporal discrimination would exhibit similar age-related and gender-related penetrance as cervical dystonia and that unaffected relatives with an abnormal TDT would have reduced putaminal activation during a temporal discrimination task. TDTs were examined in a group of 192 healthy controls and in 158 unaffected first-degree relatives of 84 patients with cervical dystonia. In 24 unaffected first-degree relatives, fMRI scanning was performed during a temporal discrimination task. The prevalence of abnormal TDTs in unaffected female relatives reached 50% after age 48 years; whereas, in male relatives, penetrance of the endophenotype was reduced. By fMRI, relatives who had abnormal TDTs, compared with relatives who had normal TDTs, had significantly less activation in the putamina and in the middle frontal and precentral gyri. Only the degree of reduction of putaminal activity correlated significantly with worsening of temporal discrimination. These findings further support abnormal temporal discrimination as an endophenotype of cervical dystonia involving disordered basal ganglia circuits. © 2014 International Parkinson and Movement Disorder Society.

  11. Transport through correlated systems with density functional theory.

    Science.gov (United States)

    Kurth, S; Stefanucci, G

    2017-10-18

    We present recent advances in density functional theory (DFT) for applications in the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular Landauer-Büttiker(LB)  +  DFT approach. This formalism, when using approximations to the exchange-correlation (xc) potential with steps at integer occupation, correctly captures the Kondo plateau in the zero bias conductance at zero temperature but completely fails to capture the transition to the Coulomb blockade (CB) regime as the temperature increases. To overcome the limitations of LB  +  DFT, the quantum transport problem is treated from a time-dependent (TD) perspective using TDDFT, an exact framework to deal with nonequilibrium situations. The steady-state limit of TDDFT shows that in addition to an xc potential in the junction, there also exists an xc correction to the applied bias. Open shell molecules in the CB regime provide the most striking examples of the importance of the xc bias correction. Using the Anderson model as guidance we estimate these corrections in the limit of zero bias. For the general case we put forward a steady-state DFT which is based on one-to-one correspondence between the pair of basic variables, steady density on and steady current across the junction and the pair local potential on and bias across the junction. Like TDDFT, this framework also leads to both an xc potential in the junction and an xc correction to the bias. Unlike TDDFT, these potentials are independent of history. We highlight the universal features of both xc potential and xc bias corrections for junctions in the CB regime and provide an accurate parametrization for the Anderson model at arbitrary temperatures and interaction strengths, thus providing a unified DFT description for both Kondo and CB regimes and the transition between them.

  12. A Unified Approach to Functional Principal Component Analysis and Functional Multiple-Set Canonical Correlation.

    Science.gov (United States)

    Choi, Ji Yeh; Hwang, Heungsun; Yamamoto, Michio; Jung, Kwanghee; Woodward, Todd S

    2017-06-01

    Functional principal component analysis (FPCA) and functional multiple-set canonical correlation analysis (FMCCA) are data reduction techniques for functional data that are collected in the form of smooth curves or functions over a continuum such as time or space. In FPCA, low-dimensional components are extracted from a single functional dataset such that they explain the most variance of the dataset, whereas in FMCCA, low-dimensional components are obtained from each of multiple functional datasets in such a way that the associations among the components are maximized across the different sets. In this paper, we propose a unified approach to FPCA and FMCCA. The proposed approach subsumes both techniques as special cases. Furthermore, it permits a compromise between the techniques, such that components are obtained from each set of functional data to maximize their associations across different datasets, while accounting for the variance of the data well. We propose a single optimization criterion for the proposed approach, and develop an alternating regularized least squares algorithm to minimize the criterion in combination with basis function approximations to functions. We conduct a simulation study to investigate the performance of the proposed approach based on synthetic data. We also apply the approach for the analysis of multiple-subject functional magnetic resonance imaging data to obtain low-dimensional components of blood-oxygen level-dependent signal changes of the brain over time, which are highly correlated across the subjects as well as representative of the data. The extracted components are used to identify networks of neural activity that are commonly activated across the subjects while carrying out a working memory task.

  13. Electric dipole moment function of the X1 Sigma/+/ state of CO - Vibration-rotation matrix elements for transitions of gas laser and astrophysical interest

    Science.gov (United States)

    Chackerian, C., Jr.

    1976-01-01

    The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.

  14. Spline function fit for multi-sets of correlative data

    International Nuclear Information System (INIS)

    Liu Tingjin; Zhou Hongmo

    1992-01-01

    The Spline fit method for multi-sets of correlative data is developed. The properties of correlative data fit are investigated. The data of 23 Na(n, 2n) cross section are fitted in the cases with and without correlation

  15. Atmospheric stellar parameters from cross-correlation functions

    Science.gov (United States)

    Malavolta, L.; Lovis, C.; Pepe, F.; Sneden, C.; Udry, S.

    2017-08-01

    The increasing number of spectra gathered by spectroscopic sky surveys and transiting exoplanet follow-up has pushed the community to develop automated tools for atmospheric stellar parameters determination. Here we present a novel approach that allows the measurement of temperature (Teff), metallicity ([Fe/H]) and gravity (log g) within a few seconds and in a completely automated fashion. Rather than performing comparisons with spectral libraries, our technique is based on the determination of several cross-correlation functions (CCFs) obtained by including spectral features with different sensitivity to the photospheric parameters. We use literature stellar parameters of high signal-to-noise (SNR), high-resolution HARPS spectra of FGK main-sequence stars to calibrate Teff, [Fe/H] and log g as a function of CCF parameters. Our technique is validated using low-SNR spectra obtained with the same instrument. For FGK stars we achieve a precision of σ _{{T_eff}} = 50 K, σlog g = 0.09 dex and σ _{{{[Fe/H]}}} =0.035 dex at SNR = 50, while the precision for observation with SNR ≳ 100 and the overall accuracy are constrained by the literature values used to calibrate the CCFs. Our approach can easily be extended to other instruments with similar spectral range and resolution or to other spectral range and stars other than FGK dwarfs if a large sample of reference stars is available for the calibration. Additionally, we provide the mathematical formulation to convert synthetic equivalent widths to CCF parameters as an alternative to direct calibration. We have made our tool publicly available.

  16. Quantum Monte Carlo for vibrating molecules

    International Nuclear Information System (INIS)

    Brown, W.R.; Lawrence Berkeley National Lab., CA

    1996-08-01

    Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies

  17. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    Science.gov (United States)

    Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H.; Kühne, Thomas D.; Bernasconi, Marco

    2016-05-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  18. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    International Nuclear Information System (INIS)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco; Los, Jan H.; Kühne, Thomas D.

    2016-01-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In 3 SbTe 2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge 2 Sb 2 Te 5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  19. Vanillin and isovanillin: Comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations

    Science.gov (United States)

    Balachandran, V.; Parimala, K.

    This study is a comparative analysis of FT-IR and FT-Raman spectra of vanillin (3-methoxy-4-hydroxybenzaldehyde) and isovanillin (3-hydroxy-4-methoxybenzaldehyde). The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for both molecules using the B3LYP density functional theory (DFT) with the standard 6-311++G∗∗ basis set. The computed values of frequencies are scaled using multiple scaling factors to yield good coherence with the observed values. The calculated harmonic vibrational frequencies are compared with experimental FT-IR and FT-Raman spectra. The geometrical parameters and total energies of vanillin and isovanillin were obtained for all the eight conformers (a-h) from DFT/B3LYP method with 6-311++G∗∗ basis set. The computational results identified the most stable conformer of vanillin and isovanillin as in the "a" form. Non-linear properties such as electric dipole moment (μ), polarizability (α), and hyperpolarizability (β) values of the investigated molecules have been computed using B3LYP quantum chemical calculation. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecules.

  20. A Modified Kirchhoff plate theory for Free Vibration analysis of functionally graded material plates using meshfree method

    Science.gov (United States)

    Nguyen Van Do, Vuong

    2018-04-01

    In this paper, a modified Kirchhoff theory is presented for free vibration analyses of functionally graded material (FGM) plate based on modified radial point interpolation method (RPIM). The shear deformation effects are taken account into modified theory to ignore the locking phenomenon of thin plates. Due to the proposed refined plate theory, the number of independent unknowns reduces one variable and exists with four degrees of freedom per node. The simulated free vibration results employed by the modified RPIM are compared with the other analytical solutions to verify the effectiveness and the accuracy of the developed mesh-free method. Detail parametric studies of the proposed method are then conducted including the effectiveness of thickness ratio, boundary condition and material inhomogeneity on the sample problems of square plates. Results illustrated that the modified mesh-free RPIM can effectively predict the numerical calculation as compared to the exact solutions. The obtained numerical results are indicated that the proposed method are stable and well accurate prediction to evaluate with other published analyses.

  1. Flow-induced vibration test of an advanced water reactor model. Pt. 1. Turbulence-induced forcing function

    International Nuclear Information System (INIS)

    Au-Yang, M.K.; Brenneman, B.; Raj, D.

    1995-01-01

    A 1:9 scale model of a proposed advanced water reactor was tested for flow-induced vibration. The main objectives of this test were: (1) to derive an empirical equation for the turbulence forcing function which can be applied to the full-sized prototype; (2) to study the effect of viscosity on the turbulence; (3) to verify the ''superposition'' assumption widely used in dynamic analysis of weakly coupled fluid-shell systems; and (4) to measure the shell responses to verify methods and computer programs used in the flow-induced vibration analysis of the prototype. This paper describes objectives (1), (2), and (3); objective (4) will be discussed in a companion paper.The turbulence-induced fluctuating pressure was measured at 49 locations over the surface of a thick-walled, non-responsive scale model of the reactor vessel/core support cylinders. An empirical equation relating the fluctuating pressure, the frequency, and the distance from the inlet nozzle center line was derived to fit the test data. This equation involves only non-dimensional, fluid mechanical parameters that are postulated to represent the full-sized, geometrically similar prototype. While this postulate cannot be verified until similar measurements are taken on the full-sized unit, a similar approach using a 1:6 scale model of a commercial pressurized water reactor was verified in the mid-1970s by field measurements on the full-sized reactor. (orig.)

  2. Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

    Science.gov (United States)

    Leclerc, Arnaud; Carrington, Tucker

    2014-05-07

    We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.

  3. Integrable dissipative exclusion process: Correlation functions and physical properties

    Science.gov (United States)

    Crampe, N.; Ragoucy, E.; Rittenberg, V.; Vanicat, M.

    2016-09-01

    We study a one-parameter generalization of the symmetric simple exclusion process on a one-dimensional lattice. In addition to the usual dynamics (where particles can hop with equal rates to the left or to the right with an exclusion constraint), annihilation and creation of pairs can occur. The system is driven out of equilibrium by two reservoirs at the boundaries. In this setting the model is still integrable: it is related to the open XXZ spin chain through a gauge transformation. This allows us to compute the full spectrum of the Markov matrix using Bethe equations. We also show that the stationary state can be expressed in a matrix product form permitting to compute the multipoints correlation functions as well as the mean value of the lattice and the creation-annihilation currents. Finally, the variance of the lattice current is computed for a finite-size system. In the thermodynamic limit, it matches the value obtained from the associated macroscopic fluctuation theory.

  4. On soft limits of large-scale structure correlation functions

    International Nuclear Information System (INIS)

    Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

    2014-11-01

    We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we rederive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literature: The time-flow formalism, and a background method where the soft mode is absorbed into a locally curved cosmology. The latter has been recently used to set up (angular averaged) 'equal-time consistency relations'. We explicitly demonstrate that the time-flow relations and 'equal-time consistency conditions' are only fulfilled at the linear level, and fail at next-to-leading order for an Einstein de-Sitter universe. While applied to the velocities both proposals break down beyond leading order, we find that the 'equal-time consistency conditions' quantitatively approximates the perturbative results for the density contrast. Thus, we generalize the background method to properly incorporate the effect of curvature in the density and velocity fluctuations on short scales, and discuss the reasons behind this discrepancy. We conclude with a few comments on practical implementations and future directions.

  5. A marked correlation function for constraining modified gravity models

    Science.gov (United States)

    White, Martin

    2016-11-01

    Future large scale structure surveys will provide increasingly tight constraints on our cosmological model. These surveys will report results on the distance scale and growth rate of perturbations through measurements of Baryon Acoustic Oscillations and Redshift-Space Distortions. It is interesting to ask: what further analyses should become routine, so as to test as-yet-unknown models of cosmic acceleration? Models which aim to explain the accelerated expansion rate of the Universe by modifications to General Relativity often invoke screening mechanisms which can imprint a non-standard density dependence on their predictions. This suggests density-dependent clustering as a `generic' constraint. This paper argues that a density-marked correlation function provides a density-dependent statistic which is easy to compute and report and requires minimal additional infrastructure beyond what is routinely available to such survey analyses. We give one realization of this idea and study it using low order perturbation theory. We encourage groups developing modified gravity theories to see whether such statistics provide discriminatory power for their models.

  6. A marked correlation function for constraining modified gravity models

    Energy Technology Data Exchange (ETDEWEB)

    White, Martin, E-mail: mwhite@berkeley.edu [Department of Physics, University of California, Berkeley, CA 94720 (United States)

    2016-11-01

    Future large scale structure surveys will provide increasingly tight constraints on our cosmological model. These surveys will report results on the distance scale and growth rate of perturbations through measurements of Baryon Acoustic Oscillations and Redshift-Space Distortions. It is interesting to ask: what further analyses should become routine, so as to test as-yet-unknown models of cosmic acceleration? Models which aim to explain the accelerated expansion rate of the Universe by modifications to General Relativity often invoke screening mechanisms which can imprint a non-standard density dependence on their predictions. This suggests density-dependent clustering as a 'generic' constraint. This paper argues that a density-marked correlation function provides a density-dependent statistic which is easy to compute and report and requires minimal additional infrastructure beyond what is routinely available to such survey analyses. We give one realization of this idea and study it using low order perturbation theory. We encourage groups developing modified gravity theories to see whether such statistics provide discriminatory power for their models.

  7. A Combined Probe-Molecule, Mössbauer, Nuclear Resonance Vibrational Spectroscopy, and Density Functional Theory Approach for Evaluation of Potential Iron Active Sites in an Oxygen Reduction Reaction Catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Kneebone, Jared L. [Univ. of Rochester, Rochester, NY (United States); Daifuku, Stephanie L. [Univ. of Rochester, Rochester, NY (United States); Kehl, Jeffrey A. [Univ. of Rochester, Rochester, NY (United States); Wu, Gang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chung, Hoon T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hu, Michael Y. [Argonne National Lab. (ANL), Argonne, IL (United States); Alp, E. Ercan [Argonne National Lab. (ANL), Argonne, IL (United States); More, Karren L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Zelenay, Piotr [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Holby, Edward F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Neidig, Michael L. [Univ. of Rochester, Rochester, NY (United States)

    2017-07-06

    While non-precious metal M-N-C (M = Fe or Co) catalysts have been developed that are effective for the oxygen reduction reaction in polymer electrolyte fuel cells, no consensus has yet been reached regarding the nature of the M sites in these heterogeneous catalysts that are responsible for reaction with dioxygen (O2). While multiple studies have developed correlations between Fe distributions in as-prepared catalysts and ORR activity, the direct identification of sites reactive towards O2 or O2-analog molecules remains a significant challenge. In the present study, we demonstrate a new approach to identifying and characterizing potential Fe active sites in complex ORR catalysts that combines an effective probe molecule (NO(g)) Mössbauer spectroscopy and nuclear resonance vibrational spectroscopy (NRVS) with density functional theory (DFT) calculations. Mössbauer spectroscopic studies demonstrate that NO(g) treatment of electrochemically reduced PANI-57Fe-C leads to selective reaction with only a sub-set of the Fe species present. Nuclear resonance vibrational spectroscopic studies identified new Fe-ligand vibrations associated with the site reactive towards NO(g). DFT calculations of vibrational properties of a small selection of previously proposed active site structures suggest that graphene zig-zag edge hosted Fe-N structures may be responsible for the observed vibrational behavior with NO(g) probe molecules. Moreover, such sites are likely also reactive to O2, possibly serving as the ORR active sites in the synthesized materials.

  8. Towards a Density Functional Theory Exchange-Correlation Functional able to describe localization/delocalization

    Science.gov (United States)

    Mattsson, Ann E.; Wills, John M.

    2013-03-01

    The inability to computationally describe the physics governing the properties of actinides and their alloys is the poster child of failure of existing Density Functional Theory exchange-correlation functionals. The intricate competition between localization and delocalization of the electrons, present in these materials, exposes the limitations of functionals only designed to properly describe one or the other situation. We will discuss the manifestation of this competition in real materials and propositions on how to construct a functional able to accurately describe properties of these materials. I addition we will discuss both the importance of using the Dirac equation to describe the relativistic effects in these materials, and the connection to the physics of transition metal oxides. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  9. On soft limits of large-scale structure correlation functions

    International Nuclear Information System (INIS)

    Sagunski, Laura

    2016-08-01

    Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

  10. On soft limits of large-scale structure correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Sagunski, Laura

    2016-08-15

    Large-scale structure surveys have the potential to become the leading probe for precision cosmology in the next decade. To extract valuable information on the cosmological evolution of the Universe from the observational data, it is of major importance to derive accurate theoretical predictions for the statistical large-scale structure observables, such as the power spectrum and the bispectrum of (dark) matter density perturbations. Hence, one of the greatest challenges of modern cosmology is to theoretically understand the non-linear dynamics of large-scale structure formation in the Universe from first principles. While analytic approaches to describe the large-scale structure formation are usually based on the framework of non-relativistic cosmological perturbation theory, we pursue another road in this thesis and develop methods to derive generic, non-perturbative statements about large-scale structure correlation functions. We study unequal- and equal-time correlation functions of density and velocity perturbations in the limit where one of their wavenumbers becomes small, that is, in the soft limit. In the soft limit, it is possible to link (N+1)-point and N-point correlation functions to non-perturbative 'consistency conditions'. These provide in turn a powerful tool to test fundamental aspects of the underlying theory at hand. In this work, we first rederive the (resummed) consistency conditions at unequal times by using the so-called eikonal approximation. The main appeal of the unequal-time consistency conditions is that they are solely based on symmetry arguments and thus are universal. Proceeding from this, we direct our attention to consistency conditions at equal times, which, on the other hand, depend on the interplay between soft and hard modes. We explore the existence and validity of equal-time consistency conditions within and beyond perturbation theory. For this purpose, we investigate the predictions for the soft limit of the

  11. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    OpenAIRE

    Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco

    2016-01-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the u...

  12. Quantum inelastic electron-vibration scattering in molecular wires: Landauer-like versus Green's function approaches and temperature effects

    International Nuclear Information System (INIS)

    Ness, H

    2006-01-01

    In this paper, we consider the problem of inelastic electron transport in molecular systems in which both electronic and vibrational degrees of freedom are considered on the quantum level. The electronic transport properties of the corresponding molecular nanojunctions are obtained by means of a non-perturbative Landauer-like multi-channel inelastic scattering technique. The connections between this approach and other Green's function techniques that are useful in particular cases are studied in detail. The validity of the wide-band approximation, the effects of the lead self-energy and the dynamical polaron shift are also studied for a wide range of parameters. As a practical application of the method, we consider the effects of the temperature on the conductance properties of molecular breakjunctions in relation to recent experiments

  13. Application of radial basis functions and sinc method for solving the forced vibration of fractional viscoelastic beam

    Energy Technology Data Exchange (ETDEWEB)

    Permoon, M. R.; Haddadpour, H. [Sharif University of Tech, Tehran (Iran, Islamic Republic of); Rashidinia, J.; Parsa, A.; Salehi, R. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)

    2016-07-15

    In this paper, the forced vibrations of the fractional viscoelastic beam with the Kelvin-Voigt fractional order constitutive relationship is studied. The equation of motion is derived from Newton's second law and the Galerkin method is used to discretize the equation of motion in to a set of linear ordinary differential equations. For solving the discretized equations, the radial basis functions and Sinc quadrature rule are used. In order to show the effectiveness and accuracy of this method, some test problem are considered, and it is shown that the obtained results are in very good agreement with exact solution. In the following, the proposed numerical solution is applied to exploring the effects of fractional parameters on the response of the beam and finally some conclusions are outlined.

  14. Anisotropic extinction distortion of the galaxy correlation function

    International Nuclear Information System (INIS)

    Fang Wenjuan; Hui Lam; Menard, Brice; May, Morgan; Scranton, Ryan

    2011-01-01

    Similar to the magnification of the galaxies' fluxes by gravitational lensing, the extinction of the fluxes by comic dust, whose existence is recently detected by [B. Menard, R. Scranton, M. Fukugita, and G. Richards, Mon. Not. R. Astron. Soc. 405, 1025 (2010).], also modifies the distribution of a flux-selected galaxy sample. We study the anisotropic distortion by dust extinction to the 3D galaxy correlation function, including magnification bias and redshift distortion at the same time. We find the extinction distortion is most significant along the line of sight and at large separations, similar to that by magnification bias. The correction from dust extinction is negative except at sufficiently large transverse separations, which is almost always opposite to that from magnification bias (we consider a number count slope s>0.4). Hence, the distortions from these two effects tend to reduce each other. At low z (< or approx. 1), the distortion by extinction is stronger than that by magnification bias, but at high z, the reverse holds. We also study how dust extinction affects probes in real space of the baryon acoustic oscillations (BAO) and the linear redshift distortion parameter β. We find its effect on BAO is negligible. However, it introduces a positive scale-dependent correction to β that can be as large as a few percent. At the same time, we also find a negative scale-dependent correction from magnification bias, which is up to percent level at low z, but to ∼40% at high z. These corrections are non-negligible for precision cosmology, and should be considered when testing General Relativity through the scale-dependence of β.

  15. Vibrational Fingerprints of Low-Lying PtnP2n (n = 1–5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces

    KAUST Repository

    Jedidi, Abdesslem

    2015-11-13

    Vibrational fingerprints of small PtnP2n (n = 1–5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first PtnP2n isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the PtnP2n structures.

  16. Vibrational Fingerprints of Low-Lying PtnP2n (n = 1–5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces

    KAUST Repository

    Jedidi, Abdesslem; Li, Rui; Fornasiero, Paolo; Cavallo, Luigi; Carbonniere, Philippe

    2015-01-01

    Vibrational fingerprints of small PtnP2n (n = 1–5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first PtnP2n isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the PtnP2n structures.

  17. Noise, vibration and harshness (NVH) criteria as functions of vehicle design and consumer expectations

    Science.gov (United States)

    Raichel, Daniel R.

    2005-09-01

    The criteria for NVH design are to a large degree determined by the types of vehicles and the perceived desires of the purchasers of vehicles, as well as the cost of incorporating NVH measures. Vehicles may be classified into specific types, e.g., economy car, midsize passenger, near-luxury and luxury passenger cars, sports cars, vans, minivans, and sports utility vehicles of varying sizes. The owner of a luxury sedan would expect a quiet ride with minimal vibration and harshness-however, if that sedan is to display sporting characteristics, some aspects of NVH may actually have to be increased in order to enhance a feeling of driver exhilaration. A discussion of the requirements for specific types of vehicles is provided, with due regard for effects on the usability of installed sound/video systems, driver and passenger fatigue, feel of steering mechanisms and other mechanical components, consumer market research, etc. A number of examples of vehicles on the market are cited.

  18. High-Temperature Vibration Damper

    Science.gov (United States)

    Clarke, Alan; Litwin, Joel; Krauss, Harold

    1987-01-01

    Device for damping vibrations functions at temperatures up to 400 degrees F. Dampens vibrational torque loads as high as 1,000 lb-in. but compact enough to be part of helicopter rotor hub. Rotary damper absorbs energy from vibrating rod, dissipating it in turbulent motion of viscous hydraulic fluid forced by moving vanes through small orifices.

  19. Hydrogen bonding in protic ionic liquids: structural correlations, vibrational spectroscopy, and rotational dynamics of liquid ethylammonium nitrate

    Science.gov (United States)

    Zentel, Tobias; Overbeck, Viviane; Michalik, Dirk; Kühn, Oliver; Ludwig, Ralf

    2018-02-01

    The properties of the hydrogen bonds in ethylammonium nitrate (EAN) are analyzed by using molecular dynamics simulations and infrared as well as nuclear magnetic resonance experiments. EAN features a flexible three-dimensional network of hydrogen bonds with moderate strengths, which makes it distinct from related triethylammonium-based ionic liquids. First, the network’s flexibility is manifested in a not very pronounced correlation of the hydrogen bond geometries, which is caused by rapid interchanges of bonding partners. The large flexibility of the network also leads to a substantial broadening of the mid-IR absorption band, with the contributions due to N-H stretching motions ranging from 2800 to 3250 cm-1. Finally, the different dynamics are also seen in the rotational correlation of the N-H bond vector, where a correlation time as short as 16.1 ps is observed.

  20. a Middle-Ear Reverse Transfer Function Computed from Vibration Measurements of Otoacoustic Emissions on the Ear Drum of the Guinea PIG

    Science.gov (United States)

    Dalhoff, Ernst; Turcanu, Diana; Gummer, Anthony W.

    2009-02-01

    Using distortion products measured as vibration of the umbo and as sound pressure in the ear canal of guinea pigs, we calculated the corresponding reverse transfer function. We compare the measurements with a middle-ear model taken from the literature and adapted to the guinea pig. A reasonable fit could be achieved. We conclude that the reverse transfer function will be useful to aid fitting a middle-ear model to measured transfer functions of human subjects.

  1. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  2. Analyzing correlation functions with tesseral and Cartesian spherical harmonics

    International Nuclear Information System (INIS)

    Danielewicz, Pawel; Pratt, Scott

    2007-01-01

    The dependence of interparticle correlations on the orientation of particle relative momentum can yield unique information on the space-time features of emission in reactions with multiparticle final states. In the present paper, the benefits of a representation and analysis of the three-dimensional correlation information in terms of surface spherical harmonics is presented. The harmonics include the standard complex tesseral harmonics and the real Cartesian harmonics. Mathematical properties of the lesser known Cartesian harmonics are illuminated. The physical content of different angular harmonic components in a correlation is described. The resolving power of different final-state effects with regard to determining angular features of emission regions is investigated. The considered final-state effects include identity interference, strong interactions, and Coulomb interactions. The correlation analysis in terms of spherical harmonics is illustrated with the cases of Gaussian and blast-wave sources for proton-charged meson and baryon-baryon pairs

  3. Correlation of Thyroid Functions with Severity and Outcome of ...

    African Journals Online (AJOL)

    During normal pregnancy, changes in thyroid function are well documented; however, information regarding thyroid function in preeclampsia is scanty. Pregnancy is associated with increased total thyroxine (T4) and, in preeclampsia, biochemical hypothyroidism (raised thyroid‑stimulating hormone [TSH]) occurs.

  4. Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.

    Science.gov (United States)

    Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi

    2018-05-08

    Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.

  5. Calculation of the vibrational linewidth and line shape of Raman spectra using the relaxation function : I. method and application to nitrogen

    NARCIS (Netherlands)

    Kooi, M.E.; Smit, F.; Michels, J.P.J.; Schouten, J.A.

    2000-01-01

    The spectral line shape of the fundamental vibration of nitrogen is calculated from molecular dynamics simulations by determining the Fourier transform of the relaxation function. It has been applied to the fluid phase at various pressures and temperatures, and to solid d-N2. The validity of the

  6. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  7. Prevalence and characteristics of vibrator use by women in the United States: results from a nationally representative study.

    Science.gov (United States)

    Herbenick, Debra; Reece, Michael; Sanders, Stephanie; Dodge, Brian; Ghassemi, Annahita; Fortenberry, J Dennis

    2009-07-01

    Although vibrators are commonly recommended by clinicians as adjunct to treatment for female sexual dysfunction, and for sexual enhancement, little is known about their prevalence or correlates of use. The aim of this study was to determine the lifetime and recent prevalence of women's vibrator use during masturbation and partnered sex, and the correlates of use related to sociodemographic variables, health behaviors, and sexual function. A nationally representative sample of 3,800 women aged 18-60 years were invited to participate in a cross-sectional Internet-based survey; 2,056 (54.1%) participated. The prevalence of vibrator use, the relationship between vibrator use and physical and psychological well-being (as assessed by the Centers for Disease Control and Prevention [CDC] Healthy Days measure) and health-promoting behaviors, the relationship between vibrator use and women's scores on the Female Sexual Function Index, and an assessment of the frequency and severity of side effects potentially associated with vibrator use. The prevalence of women's vibrator use was found to be 52.5% (95% CI 50.3-54.7%). Vibrator users were significantly more likely to have had a gynecologic exam during the past year (P health-promoting behaviors and positive sexual function, and rarely associated with side effects. Clinicians may find these data useful in responding to patients' sexual issues and recommending vibrator use to improve sexual function. Further research on the relationships between vibrator use and sexual health is warranted.

  8. Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

    Science.gov (United States)

    Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

    2014-03-25

    The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Effects of shape and dopant on structural, optical absorption, Raman, and vibrational properties of silver and copper quantum clusters: A density functional theory study

    International Nuclear Information System (INIS)

    Li Wei-Yin; Chen Fu-Yi

    2014-01-01

    We investigate the effects of shape and single-atom doping on the structural, optical absorption, Raman, and vibrational properties of Ag 13 , Ag 12 Cu 1 , Cu 13 , and Cu 12 Ag 1 clusters by using the (time-dependent) density functional theory. The results show that the most stable structures are cuboctahedron (COh) for Ag 13 and icosahedron (Ih) for Cu 13 , Ag 12 Cu 1core , and Cu 12 Ag 1sur . In the visible—near infrared optical absorption, the transitions consist of the interband and the intraband transitions. Moreover, red shifts are observed as follows: 1) clusters change from Ag 12 Cu 1core to Ag 13 to Ag 12 Cu 1sur with the same motifs, 2) the shapes of pure Ag 13 and Ag 12 Cu 1core clusters change from COh to Ih to decahedron (Dh), 3) the shape of Ag 12 Cu 1sur clusters changes from Ih to COh to Dh, and 4) the shapes of pure Cu 13 and Cu 12 Ag 1 clusters change from Ih to Dh to COh. All of the Raman and vibrational spectra exhibit many significant vibrational modes related to the shapes and the compositions of the clusters. The ranges of vibrational spectra of Ag 13 , Ag 12 Cu 1 or Cu 13 , and Cu 12 Ag 1 clusters become narrower and the vibrational intensities increase as the shape of the clusters changes from Ih to Dh to COh. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  10. Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory.

    Science.gov (United States)

    Pelmenschikov, Vladimir; Birrell, James A; Pham, Cindy C; Mishra, Nakul; Wang, Hongxin; Sommer, Constanze; Reijerse, Edward; Richers, Casseday P; Tamasaku, Kenji; Yoda, Yoshitaka; Rauchfuss, Thomas B; Lubitz, Wolfgang; Cramer, Stephen P

    2017-11-22

    [FeFe]-hydrogenases are metalloenzymes that reversibly reduce protons to molecular hydrogen at exceptionally high rates. We have characterized the catalytically competent hydride state (H hyd ) in the [FeFe]-hydrogenases from both Chlamydomonas reinhardtii and Desulfovibrio desulfuricans using 57 Fe nuclear resonance vibrational spectroscopy (NRVS) and density functional theory (DFT). H/D exchange identified two Fe-H bending modes originating from the binuclear iron cofactor. DFT calculations show that these spectral features result from an iron-bound terminal hydride, and the Fe-H vibrational frequencies being highly dependent on interactions between the amine base of the catalytic cofactor with both hydride and the conserved cysteine terminating the proton transfer chain to the active site. The results indicate that H hyd is the catalytic state one step prior to H 2 formation. The observed vibrational spectrum, therefore, provides mechanistic insight into the reaction coordinate for H 2 bond formation by [FeFe]-hydrogenases.

  11. Vibration mixer

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

    1983-01-01

    The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

  12. Structurofunctional resting-state networks correlate with motor function in chronic stroke

    Directory of Open Access Journals (Sweden)

    Benjamin T. Kalinosky

    2017-01-01

    Conclusion: The results demonstrate that changes after a stroke in both intrinsic and network-based structurofunctional correlations at rest are correlated with motor function, underscoring the importance of residual structural connectivity in cortical networks.

  13. 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

  14. Studies in the method of correlated basis functions. Pt. 3

    International Nuclear Information System (INIS)

    Krotscheck, E.; Clark, J.W.

    1980-01-01

    A variational theory of pairing phenomena is presented for systems like neutron matter and liquid 3 He. The strong short-range correlations among the particles in these systems are incorporated into the trial states describing normal and pair-condensed phases, via a correlation operator F. The resulting theory has the same basic structure as that ordinarily applied for weak two-body interactions; in place of the pairing matrix elements of the bare interaction one finds certain effective pairing matrix elements Psub(kl), and modified single particle energies epsilon (k) appear. Detailed prescriptions are given for the construction of the Psub(kl) and epsilon (k) in terms of off-diagonal and diagonal matrix elements of the Hamiltonian and unit operators in a correlated basis of normal states. An exact criterion for instability of the assumed normal phase with respect to pair condensation is derived for general F. This criterion is investigated numerically for the special case if Jastrow correlations, the required normal-state quantities being evaluated by integral equation techniques which extend the Fermi hypernetted-chain scheme. In neutron matter, an instability with respect to 1 S 0 pairing is found in the low-density region, in concert with the predictions of Yang and Clark. In liquid 3 He, there is some indication of a 3 P 0 pairing instability in the vicinity of the experimental equilibrium density. (orig.)

  15. Two Point Correlation Functions for a Periodic Box-Ball System

    Directory of Open Access Journals (Sweden)

    Jun Mada

    2011-03-01

    Full Text Available We investigate correlation functions in a periodic box-ball system. For the second and the third nearest neighbor correlation functions, we give explicit formulae obtained by combinatorial methods. A recursion formula for a specific N-point functions is also presented.

  16. Correlation between demographic characteristics, cognitive functioning and functional independence in stroke patients

    Directory of Open Access Journals (Sweden)

    Arsić Slađana

    2016-01-01

    Full Text Available Introduction. It has been assumed that there is causality of the achieved level of functional independence with the degree of preservation of cognitive function in stroke patients. Demographic characteristics may be important for monitoring the achieved level of functional independence. Objective. The aim of this study was to examine the relationship of demographic characteristics and functional independence in regard to the level of cognitive impairment in stroke patients. Methods. The study included 50 stroke patients after rehabilitation, as well as age- and gender-matched 50 subjects selected randomly, according to the demographic characteristics of the studied sample, who in their medical history had no neurological disorders. For the assessment of functional independence, the Functional Independence Measure (FIM test was used. The general cognition was estimated by the Mini-Mental State Examination (MMSE test. The statistical analyses included the Mann-Whitney test, for two independent samples, measures of canonical correlation, and χ2 test. Results. There was a statistically significant difference between the groups in relation to risk factors, hypertension and diabetes mellitus type II (p<0.001; There was a statistically significant difference within the groups in relation to the cognitive impairment in all the examined demographic characteristics (p<0.001; the differences within the groups in relation to the cognitive impairment are present on all subscales of the FIM test (p<0.05; the differences within the groups in relation to handedness, hemiparesis, show that mild cognitive impairment is more common among left hemiparesis, while a more severe one is more common among right-sided hemiparesis (p<0.05; More severe cognitive impairment is common among women, the elderly and in persons with lower education (p<0.05. Conclusion. By prevention of risk factors, and prevention of possible cognitive impairment, consequences of stroke can be

  17. WHOLE-BODY VIBRATION EXERCISE IMPROVES FUNCTIONAL PARAMETERS IN PATIENTS WITH OSTEOGENESIS IMPERFECTA: A SYSTEMATIC REVIEW WITH A SUITABLE APPROACH.

    Science.gov (United States)

    Sá-Caputo, Danubia C; Dionello, Carla da F; Frederico, Éric Heleno F F; Paineiras-Domingos, Laisa L; Sousa-Gonçalves, Cintia Renata; Morel, Danielle S; Moreira-Marconi, Eloá; Unger, Marianne; Bernardo-Filho, Mario

    2017-01-01

    Patients with osteogenesis imperfecta (OI) have abnormal bone modelling and resorption. The bone tissue adaptation and responsivity to dynamic and mechanical loading may be of therapeutic use under controlled circumstances. Improvements due to the wholebody vibration (WBV) exercises have been reported in strength, motion, gait, balance, posture and bone density in several osteopenic individuals, as in post-menopausal women or children with disabling conditions, as patients with OI. The aim of this investigation was to systematically analyse the current available literature to determine the effect of WBV exercises on functional parameters of OI patients. Three reviewers independently accessed bibliographical databases. Searches were performed in the PubMed, Scopus, Science Direct and PEDro databases using keywords related to possible interventions (including WBV) used in the management of patients with osteogenesis imperfecta . Three eligible studies were identified by searches in the analysed databases. It was concluded that WBV exercises could be an important option in the management of OI patients improving the mobility and functional parameters. However, further studies are necessary for establishing suitable protocols for these patients.

  18. Correlation function of four spins in the percolation model

    Directory of Open Access Journals (Sweden)

    Vladimir S. Dotsenko

    2016-10-01

    It is known that the four-point functions define the actual fusion rules of a particular model. In this respect, we find that fusion of two spins, of dimension Δσ=596, produce a new channel, in the 4-point function, which is due to the operator with dimension Δ=5/8.

  19. Hierarchical structure of correlation functions for single jets

    International Nuclear Information System (INIS)

    Lupia, S.; Giovannini, A.; Ugoccioni, R.

    1993-01-01

    Theoretical basis of void scaling function properties of hierarchical structure in rapidity and p T intervals are explored. Their phenomenological consequences are analyzed at single jet level by using Monte Carlo methods in e + e - annihilation. It is found that void scaling function study provides an interesting alternative approach for characterizing single jets of different origin. (orig.)

  20. Hierarchical structure of correlation functions for single jets

    Energy Technology Data Exchange (ETDEWEB)

    Lupia, S. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy)); Giovannini, A. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy)); Ugoccioni, R. (Dipt. di Fisica Teorica, Univ. di Torino, and INFN, Sezione di Torino (Italy))

    1993-08-01

    Theoretical basis of void scaling function properties of hierarchical structure in rapidity and p[sub T] intervals are explored. Their phenomenological consequences are analyzed at single jet level by using Monte Carlo methods in e[sup +]e[sup -] annihilation. It is found that void scaling function study provides an interesting alternative approach for characterizing single jets of different origin. (orig.)

  1. Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

    Science.gov (United States)

    Huang, K.-N.

    1977-01-01

    A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

  2. 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.

  3. Development of Colle-Salvetti type electron-nucleus correlation functional for MC-DFT

    Energy Technology Data Exchange (ETDEWEB)

    Udagawa, Taro [Department of Chemistry and Biomolecuar Science, Faculty of Engineering, Gifu University, Yanagido 1-1, Gifu 501-1193 (Japan); Tsuneda, Takao [Fuel Cell Nanomaterials Center, University of Yamanashi, Miyamae-cho 6-43, Kofu 400-0021 (Japan); Tachikawa, Masanori [Quqnatum Chemistry Division, Graduate School of Science, Yokohama City University, Seto 22-2, Kanazawa, Yokohama 236-0027 (Japan)

    2015-12-31

    A Colle-Salvetti type electron-nucleus correlation functional for multicomponent density-functional theory is proposed. We demonstrate that our correlation functional quantitatively reproduces the quantum nuclear effects of protons; the mean absolute deviation value is 2.8 millihartrees for the optimized structure of hydrogen-containing molecules. We also show other practical calculations with our new electron-deuteron and electron-triton correlation functionals. Since this functional is derived without any unphysical assumption, the strategy taken in this development will be a promising recipe to make new functionals for the potentials of other particles’ interactions.

  4. Using block pulse functions for seismic vibration semi-active control of structures with MR dampers

    Science.gov (United States)

    Rahimi Gendeshmin, Saeed; Davarnia, Daniel

    2018-03-01

    This article applied the idea of block pulse functions in the semi-active control of structures. The BP functions give effective tools to approximate complex problems. The applied control algorithm has a major effect on the performance of the controlled system and the requirements of the control devices. In control problems, it is important to devise an accurate analytical technique with less computational cost. It is proved that the BP functions are fundamental tools in approximation problems which have been applied in disparate areas in last decades. This study focuses on the employment of BP functions in control algorithm concerning reduction the computational cost. Magneto-rheological (MR) dampers are one of the well-known semi-active tools that can be used to control the response of civil Structures during earthquake. For validation purposes, numerical simulations of a 5-story shear building frame with MR dampers are presented. The results of suggested method were compared with results obtained by controlling the frame by the optimal control method based on linear quadratic regulator theory. It can be seen from simulation results that the suggested method can be helpful in reducing seismic structural responses. Besides, this method has acceptable accuracy and is in agreement with optimal control method with less computational costs.

  5. Bending, Buckling and Vibration of a Functionally Graded Porous Beam Using Finite Elements

    Directory of Open Access Journals (Sweden)

    Noha Fouda

    2017-10-01

    Full Text Available This study presents the effect of porosity on mechanical behaviors of a power distribution functionally graded beam. The Euler-Bernoulli beam is assumed to describe the kinematic relations and constitutive equations. Because of technical problems, particle size shapes and micro-voids are created during the fabrication which should be taken into consideration. Two porosity models are proposed. The first one describes properties in the explicit form as linear functions of the porosity parameter. The second is a modified model which presents porosity and Young’s modulus in an implicit form where the density is assumed as a function of the porosity parameter and Young’s modulus as a ratio of mass with porosity to the mass without porosity. The modified proposed model is more applicable than the first model. The finite element model is developed to solve the problem by using the MATLAB software. Numerical results are presented to show the effects of porosity on mechanical behaviors of functionally graded beams.

  6. A canonical correlation neural network for multicollinearity and functional data.

    Science.gov (United States)

    Gou, Zhenkun; Fyfe, Colin

    2004-03-01

    We review a recent neural implementation of Canonical Correlation Analysis and show, using ideas suggested by Ridge Regression, how to make the algorithm robust. The network is shown to operate on data sets which exhibit multicollinearity. We develop a second model which not only performs as well on multicollinear data but also on general data sets. This model allows us to vary a single parameter so that the network is capable of performing Partial Least Squares regression (at one extreme) to Canonical Correlation Analysis (at the other)and every intermediate operation between the two. On multicollinear data, the parameter setting is shown to be important but on more general data no particular parameter setting is required. Finally, we develop a second penalty term which acts on such data as a smoother in that the resulting weight vectors are much smoother and more interpretable than the weights without the robustification term. We illustrate our algorithms on both artificial and real data.

  7. A variational determination of multi-time correlation functions

    International Nuclear Information System (INIS)

    Balian, R.

    1993-01-01

    The purpose of this course is to present the general features of a work recently achieved with Marcel Veneroni. Part of the methods and results were already published in previous articles, but a synthesis has now been made, and a coherent though flexible scheme for evaluating correlations has emerged. We shall illustrate the approach by an example which leads to an elaborate extension of the mean-field theory for interacting fermions. Application to finite temperatures field theories may also be considered. (author)

  8. Illusory correlation: a function of availability or representativeness heuristics?

    Science.gov (United States)

    MacDonald, M G

    2000-08-01

    The present study sought to investigate the illusory correlation phenomenon by experimentally manipulating the availability of information through the use of the "lag" effect (Madigan, 1969). Seventy-four university students voluntarily participated in this study. Similar to Starr and Katkin's (1969) methodology, subjects were visually presented with each possible combination of four experimental problem descriptions and four sentence completions that were paired and shown twice at each of four lags (i.e., with 0, 2, 8 and 20 intervening variables). Subjects were required to make judgements concerning the frequency with which sentence completions and problem descriptions co-occurred. In agreement with previous research (Starr & Katkin, 1969), the illusory correlation effect was found for specific descriptions and sentence completions. Results also yielded a significant effect of lag for mean ratings between 0 and 2 lags; however, there was no reliable increase in judged co-occurrence at lags 8 and 20. Evidence failed to support the hypothesis that greater availability, through the experimental manipulation of lag, would result in increased frequency of co-occurrence judgements. Findings indicate that, in the present study, the illusory correlation effect is probably due to a situational bias based on the representativeness heuristic.

  9. Correlation functions of heisenberg-mattis model in one dimension

    International Nuclear Information System (INIS)

    Azeeem, W.

    1991-01-01

    The technique of real-space renormalization to the dynamics of Heisenberg-Mattis model, which represents a random magnetic system with competing ferromagnetic and antiferromagnetic interactions has been applied. The renormalization technique, which has been in use for calculating density of states, is extended to calculate dynamical response function from momentum energy dependent Green's functions. Our numerical results on density of states and structure function of one-dimensional Heisenberg-Mattis model come out to be in good agreement with computer simulation results. The numerical scheme worked out in this thesis has the advantage that it can also provide a complete map of momentum and energy dependence of the structure function. (author)

  10. On minimizing the influence of the noise tail of correlation functions in operational modal analysis

    DEFF Research Database (Denmark)

    Tarpø, Marius; Olsen, Peter; Amador, Sandro

    2017-01-01

    on the identification results (random errors) when the noise tail is included in the identification. On the other hand, if the correlation function is truncated too much, then important information is lost. In other to minimize this error, a suitable truncation based on manual inspection of the correlation function......In operational modal analysis (OMA) correlation functions are used by all classical time-domain modal identification techniques that uses the impulse response function (free decays) as primary data. However, the main difference between the impulse response and the correlation functions estimated...... from the operational responses is that the latter present a higher noise level. This is due to statistical errors in the estimation of the correlation function and it causes random noise in the end of the function and this is called the noise tail. This noise might have significant influence...

  11. The Bell inequality and correlation of spin projection functions

    International Nuclear Information System (INIS)

    Andreev, V A

    2009-01-01

    The Bell inequality two-particle spin states are considered. It is shown that violation of this inequality at experimental verifications is connected with the fact that it is proved for some arbitrary random variables, but in experimental verification random variables of special type are used. A new inequality is constructed. It contains a correlation coefficient of random variables, measured at the experiment, and does not have to be violated at experimental verification. For factorizable and separable states it coincides with the usual Bell inequality.

  12. Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Aldegunde, Manuel, E-mail: M.A.Aldegunde-Rodriguez@warwick.ac.uk; Kermode, James R., E-mail: J.R.Kermode@warwick.ac.uk; Zabaras, Nicholas

    2016-04-15

    This paper presents the development of a new exchange–correlation functional from the point of view of machine learning. Using atomization energies of solids and small molecules, we train a linear model for the exchange enhancement factor using a Bayesian approach which allows for the quantification of uncertainties in the predictions. A relevance vector machine is used to automatically select the most relevant terms of the model. We then test this model on atomization energies and also on bulk properties. The average model provides a mean absolute error of only 0.116 eV for the test points of the G2/97 set but a larger 0.314 eV for the test solids. In terms of bulk properties, the prediction for transition metals and monovalent semiconductors has a very low test error. However, as expected, predictions for types of materials not represented in the training set such as ionic solids show much larger errors.

  13. Vibrations analysis and bifurcations in the self-sustained electromechanical system with multiple functions

    International Nuclear Information System (INIS)

    Yamapi, R.; Moukam Kakmeni, F.M.; Aziz-Alaoui, M.A.

    2005-07-01

    We consider in this paper the dynamics of the self-sustained electromechanical system with multiple functions, consisting of an electrical Rayleigh-Duffing oscillator, magnetically coupled with linear mechanical oscillators. The averaging and the balance harmonic method are used to and the amplitudes of the oscillatory states respectively in the autonomous and non-autonomous cases, and analyze the condition in which the quenching of self-sustained oscillations appears. The effects of the number of linear mechanical oscillators on the behavior of the model are discussed. Various bifurcation structures, the stability chart and the variation of the Lyapunov exponent are obtained, using numerical simulations of the equations of motion. (author)

  14. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite medium

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1981-01-01

    Results are found for the dynamical correlation functions (or its corresponding Green's functions) among any combination including operator pairs of electronic and nuclear spins in an antiferromagnet semi-infinite medium, at low temperatures T [pt

  15. Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests.

    Science.gov (United States)

    Cheng, Jin; Yu, Kuang; Libisch, Florian; Dieterich, Johannes M; Carter, Emily A

    2017-03-14

    Quantum mechanical embedding theories partition a complex system into multiple spatial regions that can use different electronic structure methods within each, to optimize trade-offs between accuracy and cost. The present work incorporates accurate but expensive correlated wave function (CW) methods for a subsystem containing the phenomenon or feature of greatest interest, while self-consistently capturing quantum effects of the surroundings using fast but less accurate density functional theory (DFT) approximations. We recently proposed two embedding methods [for a review, see: Acc. Chem. Res. 2014 , 47 , 2768 ]: density functional embedding theory (DFET) and potential functional embedding theory (PFET). DFET provides a fast but non-self-consistent density-based embedding scheme, whereas PFET offers a more rigorous theoretical framework to perform fully self-consistent, variational CW/DFT calculations [as defined in part 1, CW/DFT means subsystem 1(2) is treated with CW(DFT) methods]. When originally presented, PFET was only tested at the DFT/DFT level of theory as a proof of principle within a planewave (PW) basis. Part 1 of this two-part series demonstrated that PFET can be made to work well with mixed Gaussian type orbital (GTO)/PW bases, as long as optimized GTO bases and consistent electron-ion potentials are employed throughout. Here in part 2 we conduct the first PFET calculations at the CW/DFT level and compare them to DFET and full CW benchmarks. We test the performance of PFET at the CW/DFT level for a variety of types of interactions (hydrogen bonding, metallic, and ionic). By introducing an intermediate CW/DFT embedding scheme denoted DFET/PFET, we show how PFET remedies different types of errors in DFET, serving as a more robust type of embedding theory.

  16. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of Gallic acid imprinted polymers

    Science.gov (United States)

    Pardeshi, Sushma; Dhodapkar, Rita; Kumar, Anupama

    2013-12-01

    Gallic acid (GA) is known by its antioxidant, anticarcinogenic properties and scavenger activity against several types of harmful free radicals. Molecularly imprinted polymers (MIPs) are used in separation of a pure compound from complex matrices. A stable template-monomer complex generates the MIPs with the highest affinity and selectivity for the template. The quantum chemical computations based on density functional theory (DFT) was used on the template Gallic acid (GA), monomer acrylic acid (AA) and GA-AA complex to study the nature of interactions involved in the GA-AA complex. B3LYP/6-31+G(2d,2p) model chemistry was used to optimize their structures and frequency calculations. The effect of porogen acetonitrile (ACN) on complex formation was included by using polarizable continuum model (PCM). The results demonstrated the formation of a stable GA-AA complex through the intermolecular hydrogen bonding between carboxylic acid groups of GA and AA. The Mulliken atomic charge analysis and simulated vibrational spectra also supported the stable hydrogen bonding interaction between the carboxylic acid groups of GA and AA with minimal interference of porogen ACN. Further, simulations on GA-AA mole ratio revealed that 1:4 GA-AA was optimum for synthesis of MIP for GA.

  17. Vibration analysis of rotating functionally graded Timoshenko microbeam based on modified couple stress theory under different temperature distributions

    Science.gov (United States)

    Ghadiri, Majid; Shafiei, Navvab

    2016-04-01

    In this study, thermal vibration of rotary functionally graded Timoshenko microbeam has been analyzed based on modified couple stress theory considering temperature change in four types of temperature distribution on thermal environment. Material properties of FG microbeam are supposed to be temperature dependent and vary continuously along the thickness according to the power-law form. The axial forces are also included in the model as the thermal and true spatial variation due to the rotation. Governing equations and boundary conditions have been derived by employing Hamiltonian's principle. The differential quadrature method is employed to solve the governing equations for cantilever and propped cantilever boundary conditions. Validations are done by comparing available literatures and obtained results which indicate accuracy of applied method. Results represent effects of temperature changes, different boundary conditions, nondimensional angular velocity, length scale parameter, different boundary conditions, FG index and beam thickness on fundamental, second and third nondimensional frequencies. Results determine critical values of temperature changes and other essential parameters which can be applicable to design micromachines like micromotor and microturbine.

  18. Three dimensional Free Vibration and Transient Analysis of Two Directional Functionally Graded Thick Cylindrical Panels Under Impact Loading

    Directory of Open Access Journals (Sweden)

    Hassan Zafarmand

    Full Text Available AbstractIn this paper three dimensional free vibration and transient response of a cylindrical panel made of two directional functionally graded materials (2D-FGMs based on three dimensional equations of elasticity and subjected to internal impact loading is considered. Material properties vary through both radial and axial directions continuously. The 3D graded finite element method (GFEM based on Rayleigh-Ritz energy formulation and Newmark direct integration method has been applied to solve the equations in space and time domains. The fundamental normalized natural frequency, time history of displacements and stresses in three directions and velocity of radial stress wave propagation for various values of span angel of cylindrical panel and different power law exponents have been investigated. The present results show that using 2D-FGMs leads to a more flexible design than conventional 1D-FGMs. The GFEM solution have been compared with the results of an FG thick hollow cylinder and an FG curved panel, where a good agreement between them is observed.

  19. Free Vibration Analysis of Functionally Graded Porous Doubly-Curved Shells Based on the First-Order Shear Deformation Theory

    Directory of Open Access Journals (Sweden)

    Farajollah Zare Jouneghani

    2017-12-01

    Full Text Available Due to some technical issues that can appear during the manufacturing process of Functionally Graded Materials (FGMs, it can be extremely difficult to produce perfect materials. Indeed, one of the biggest problems is the presence of porosities. For this purpose, the vibrational behavior of doubly-curved shells made of FGM including porosities is investigated in this paper. With respect to previous research, the porosity has been added to the mechanical model that characterizes the through-the-thickness distribution of the graded constituents and applied to doubly-curved shell structures. Few papers have been published on this topic. In fact, it is easier to find works related to one-dimensional structures and beam models that take account the effect of porosities. The First-order Shear Deformation Theory (FSDT is considered as the theoretical framework. In addition, the mechanical properties of the constituents vary along the thickness direction. For this purpose, two power-law distributions are employed to characterize their volume fraction. Strain components are established in an orthogonal curvilinear coordinate system and the governing equations are derived according to the Hamilton’s principle. Finally, Navier’s solution method is used and the numerical results concerning three different types of shell structures are presented.

  20. Vibration analysis of a rotating functionally graded tapered microbeam based on the modified couple stress theory by DQEM

    Science.gov (United States)

    Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.

    2016-09-01

    Due to having difficulty in solving governing nonlinear differential equations of a non-uniform microbeam, a few numbers of authors have studied such fields. In the present study, for the first time, the size-dependent vibration behavior of a rotating functionally graded (FG) tapered microbeam based on the modified couple stress theory is investigated using differential quadrature element method (DQEM). It is assumed that physical and mechanical properties of the FG microbeam are varying along the thickness that will be defined as a power law equation. The governing equations are determined using Hamilton's principle, and DQEM is presented to obtain the results for cantilever and propped cantilever boundary conditions. The accuracy and validity of the results are shown in several numerical examples. In order to display the influence of size on the first two natural frequencies and consequently changing of some important microbeam parameters such as material length scale, rate of cross section, angular velocity and gradient index of the FG material, several diagrams and tables are represented. The results of this article can be used in designing and optimizing elastic and rotary-type micro-electro-mechanical systems like micro-motors and micro-robots including rotating parts.

  1. Executive Functions after Age 5: Changes and Correlates

    Science.gov (United States)

    Best, John R.; Miller, Patricia H.; Jones, Lara L.

    2009-01-01

    Research and theorizing on executive function (EF) in childhood has been disproportionately focused on preschool age children. This review paper outlines the importance of examining EF throughout childhood, and even across the lifespan. First, examining EF in older children can address the question of whether EF is a unitary construct. The…

  2. Correlation between cognitive function, gross motor skills and health â

    African Journals Online (AJOL)

    Saly Said Abd El-Hady

    and health – Related quality of life in children with Down syndrome. Saly Said Abd El-Hady ... knowledge. It is a general term involving multiple classes of mental capacities. ..... organizations that can inappropriately influence this work. .... skills, cognitive development and balance functions of children with Down · syndrome.

  3. Development and testing of new exchange correlation functionals

    DEFF Research Database (Denmark)

    Lundgård, Keld Troen

    , selectivity or similar of current chemical processes, or to make new technologies economical feasible. Kohn-Sham density functional theory (KS-DFT) has proven to be a powerful theory to find trends in current catalytic materials, which can empower a more informed search for better alternatives. KS-DFT relies...

  4. Current correlation functions of ideal Fermi gas at finite temperature

    Indian Academy of Sciences (India)

    in the study of time dependent density functional theory [5] due to the work of Vignale and. Kohn [6,7]. They obtained ... part has relevance to the study of viscous effects [10] in the electron gas and to the dia- magnetic ... is found that the diamagnetic susceptibility, related to the transverse part, smoothly cross over from ...

  5. Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, Jan; Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de [Institut für Physik, Universität Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock (Germany); Shibl, Mohamed F., E-mail: mfshibl@qu.edu.qa; Al-Marri, Mohammed J. [Gas Processing Center, College of Engineering, Qatar University, P.O. Box 2713, Doha (Qatar)

    2016-05-14

    The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitations. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation.

  6. Vibration of functionally graded plate resting on viscoelastic elastic foundation subjected to moving loads

    Science.gov (United States)

    Duy Hien, Ta; Lam, Nguyen Ngoc

    2018-04-01

    The dynamics of plates subjected to a moving load must be considered by engineering mechanics and design structures. This paper deals with the dynamic responses of functionally graded (FG) rectangular plates resting on a viscoelastic foundation under moving loads. It is assumed that material properties of the plate vary continuously in the thickness direction according to the power-law. The governing equations are derived by using Hamilton’s principle, which considers the effect of the higher-order shear deformation in the plate. Transient responses of simply supported FG rectangular plates are employed by using state-space methods. Several examples are given for displacement and stresses in the plates with various structural parameters, and the effects of these parameters are discussed.

  7. Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

    NARCIS (Netherlands)

    Malet, F.; Mirtschink, A.P.; Cremon, J. C.; Reimann, S. M.; Gori Giorgi, P.

    2013-01-01

    We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without

  8. Gluon field strength correlation functions within a constrained instanton model

    International Nuclear Information System (INIS)

    Dorokhov, A.E.; Esaibegyan, S.V.; Maximov, A.E.; Mikhailov, S.V.

    2000-01-01

    We suggest a constrained instanton (CI) solution in the physical QCD vacuum which is described by large-scale vacuum field fluctuations. This solution decays exponentially at large distances. It is stable only if the interaction of the instanton with the background vacuum field is small and additional constraints are introduced. The CI solution is explicitly constructed in the ansatz form, and the two-point vacuum correlator of the gluon field strengths is calculated in the framework of the effective instanton vacuum model. At small distances the results are qualitatively similar to the single instanton case; in particular, the D 1 invariant structure is small, which is in agreement with the lattice calculations. (orig.)

  9. Stoichiometric Correlation Analysis: Principles of Metabolic Functionality from Metabolomics Data

    Directory of Open Access Journals (Sweden)

    Kevin Schwahn

    2017-12-01

    Full Text Available Recent advances in metabolomics technologies have resulted in high-quality (time-resolved metabolic profiles with an increasing coverage of metabolic pathways. These data profiles represent read-outs from often non-linear dynamics of metabolic networks. Yet, metabolic profiles have largely been explored with regression-based approaches that only capture linear relationships, rendering it difficult to determine the extent to which the data reflect the underlying reaction rates and their couplings. Here we propose an approach termed Stoichiometric Correlation Analysis (SCA based on correlation between positive linear combinations of log-transformed metabolic profiles. The log-transformation is due to the evidence that metabolic networks can be modeled by mass action law and kinetics derived from it. Unlike the existing approaches which establish a relation between pairs of metabolites, SCA facilitates the discovery of higher-order dependence between more than two metabolites. By using a paradigmatic model of the tricarboxylic acid cycle we show that the higher-order dependence reflects the coupling of concentration of reactant complexes, capturing the subtle difference between the employed enzyme kinetics. Using time-resolved metabolic profiles from Arabidopsis thaliana and Escherichia coli, we show that SCA can be used to quantify the difference in coupling of reactant complexes, and hence, reaction rates, underlying the stringent response in these model organisms. By using SCA with data from natural variation of wild and domesticated wheat and tomato accession, we demonstrate that the domestication is accompanied by loss of such couplings, in these species. Therefore, application of SCA to metabolomics data from natural variation in wild and domesticated populations provides a mechanistic way to understanding domestication and its relation to metabolic networks.

  10. How do nuclei really vibrate or rotate

    International Nuclear Information System (INIS)

    Andresen, H.G.; Kunz, J.; Mosel, U.; Mueller, M.; Schuh, A.; Wust, U.

    1983-01-01

    By means of the adiabatic cranking model the properties of the current and velocity fields of nuclear quadrupole vibrations for even-even nuclei in the rare-earth region are investigated. BCS correlated wave functions based on the Nilsson single particle Hamiltonian have been used. The current fields are analyzed in terms of vector spherical harmonics. The realistic microscopic currents show a vortex structure not present in the classical irrotational flow. The microscopic origin of the vortex structure is investigated

  11. Globally conformal invariant gauge field theory with rational correlation functions

    CERN Document Server

    Nikolov, N M; Todorov, I T; CERN. Geneva; Todorov, Ivan T.

    2003-01-01

    Operator product expansions (OPE) for the product of a scalar field with its conjugate are presented as infinite sums of bilocal fields $V_{\\kappa} (x_1, x_2)$ of dimension $(\\kappa, \\kappa)$. For a {\\it globally conformal invariant} (GCI) theory we write down the OPE of $V_{\\kappa}$ into a series of {\\it twist} (dimension minus rank) $2\\kappa$ symmetric traceless tensor fields with coefficients computed from the (rational) 4-point function of the scalar field. We argue that the theory of a GCI hermitian scalar field ${\\cal L} (x)$ of dimension 4 in $D = 4$ Minkowski space such that the 3-point functions of a pair of ${\\cal L}$'s and a scalar field of dimension 2 or 4 vanish can be interpreted as the theory of local observables of a conformally invariant fixed point in a gauge theory with Lagrangian density ${\\cal L} (x)$.

  12. Density functional application to strongly correlated electron systems

    International Nuclear Information System (INIS)

    Eschrig, H.; Koepernik, K.; Chaplygin, I.

    2003-01-01

    The local spin density approximation plus onsite Coulomb repulsion approach (LSDA+U) to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site interaction matrix elements linking them to the values of U and J is presented. All necessary expressions for an implementation of LSDA+U into a non-orthogonal basis solver for the Kohn-Sham equations are given, and implementation into the full-potential local-orbital solver (Phys. Rev. B 59 (1999) 1743) is made. Results of application to several planar cuprate structures are reported in detail and conclusions on the interpretation of the physics of the electronic structure of the cuprates are drawn

  13. The properties of tagged lattice fluids: II. Velocity correlation functions

    International Nuclear Information System (INIS)

    Binder, P.M.; d'Humieres, D.; Poujol, L.

    1988-01-01

    We report preliminary measurements of the velocity autocorrelation function for a tagged particle in a lattice gas. These measurements agree with the Boltzmann-level theory. The Green-Kubo integration of these measurements agrees with theoretical predictions for the diffusion coefficient. To within the error bars of the simulations (3 /times/ 10/sup /minus/3/) we observe no long-time tails. 9 refs., 1 fig., 1 tab

  14. Influence Function and Robust Variant of Kernel Canonical Correlation Analysis

    OpenAIRE

    Alam, Md. Ashad; Fukumizu, Kenji; Wang, Yu-Ping

    2017-01-01

    Many unsupervised kernel methods rely on the estimation of the kernel covariance operator (kernel CO) or kernel cross-covariance operator (kernel CCO). Both kernel CO and kernel CCO are sensitive to contaminated data, even when bounded positive definite kernels are used. To the best of our knowledge, there are few well-founded robust kernel methods for statistical unsupervised learning. In addition, while the influence function (IF) of an estimator can characterize its robustness, asymptotic ...

  15. Functional neural correlates of reduced physiological falls risk

    Directory of Open Access Journals (Sweden)

    Hsu Chun

    2011-08-01

    Full Text Available Abstract Background It is currently unclear whether the function of brain regions associated with executive cognitive processing are independently associated with reduced physiological falls risk. If these are related, it would suggest that the development of interventions targeted at improving executive neurocognitive function would be an effective new approach for reducing physiological falls risk in seniors. Methods We performed a secondary analysis of 73 community-dwelling senior women aged 65 to 75 years old who participated in a 12-month randomized controlled trial of resistance training. Functional MRI data were acquired while participants performed a modified Eriksen Flanker Task - a task of selective attention and conflict resolution. Brain volumes were obtained using MRI. Falls risk was assessed using the Physiological Profile Assessment (PPA. Results After accounting for baseline age, experimental group, baseline PPA score, and total baseline white matter brain volume, baseline activation in the left frontal orbital cortex extending towards the insula was negatively associated with reduced physiological falls risk over the 12-month period. In contrast, baseline activation in the paracingulate gyrus extending towards the anterior cingulate gyrus was positively associated with reduced physiological falls risk. Conclusions Baseline activation levels of brain regions underlying response inhibition and selective attention were independently associated with reduced physiological falls risk. This suggests that falls prevention strategies may be facilitated by incorporating intervention components - such as aerobic exercise - that are specifically designed to induce neurocognitive plasticity. Trial Registration ClinicalTrials.gov Identifier: NCT00426881

  16. Analysis of functional organic molecules at noble metal surfaces by means of vibrational spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Leyssner, Felix

    2011-10-24

    The goal of this work is to optimize the efficiency of photoinduced molecular switching processes on surfaces via controlled variations of the adsorption and electronic properties of the switch. We investigated the influence of external stimuli, i.e. photons and thermal activation, on surface bound molecular switches undergoing trans/cis-isomerizations and ring-opening/closing-reactions, respectively. High resolution electron energy loss spectroscopy (HREELS) and sum-frequency generation (SFG) spectroscopy have been used as the main tools to investigate the adsorption behavior and the molecular switching properties. Two basic concepts of coupling the molecular switch to the surface have been studied: (i) physisorbed or weakly chemisorbed systems deposited on noble metal surfaces under UHV conditions and (ii) molecular switches bound covalently via anchor groups. In the HREELS study following concept (i), we investigated the adsorption geometry and isomerization behavior of various molecular switches on metal substrates which are able to undergo a photoinduced trans/cis-isomerization in solution. We investigated three isoelectronic molecules on Au where we systematically changed the photochemically active group from the diazo-group in an azobenzene-derivative (on Cu(111)) to the imine-group, and the vinylene-group, respectively. Finding the photoisomerization quenched for all systems we observed considerable differences in their thermal isomerization behavior. Comparable we find the photoinduced ring-opening/closing-reaction of spiropyran quenched on Au(111) but a thermally induced ring-opening reaction resulting in the open form being strongly stabilized by the metal. SFG spectroscopy is employed to investigate the reversible, photoinduced trans/cis-isomerization of an azobenzene-functionalized self-assembled monolayer (SAM) on gold using a tripodal linker system. In consequence of the decoupling provided by the tripodal linker, the switching behavior of the

  17. Hormonal regulation of alveolarization: structure-function correlation

    Directory of Open Access Journals (Sweden)

    Godinez Marye H

    2006-03-01

    Full Text Available Abstract Background Dexamethasone (Dex limits and all-trans-retinoic acid (RA promotes alveolarization. While structural changes resulting from such hormonal exposures are known, their functional consequences are unclear. Methods Neonatal rats were treated with Dex and/or RA during the first two weeks of life or were given RA after previous exposure to Dex. Morphology was assessed by light microscopy and radial alveolar counts. Function was evaluated by plethysmography at d13, pressure volume curves at d30, and exercise swim testing and arterial blood gases at both d15 and d30. Results Dex-treated animals had simplified lung architecture without secondary septation. Animals given RA alone had smaller, more numerous alveoli. Concomitant treatment with Dex + RA prevented the Dex-induced changes in septation. While the results of exposure to Dex + RA were sustained, the effects of RA alone were reversed two weeks after treatment was stopped. At d13, Dex-treated animals had increased lung volume, respiratory rate, tidal volume, and minute ventilation. On d15, both RA- and Dex-treated animals had hypercarbia and low arterial pH. By d30, the RA-treated animals resolved this respiratory acidosis, but Dex-treated animals continued to demonstrate blood gas and lung volume abnormalities. Concomitant RA treatment improved respiratory acidosis, but failed to normalize Dex-induced changes in pulmonary function and lung volumes. No differences in exercise tolerance were noted at either d15 or d30. RA treatment after the period of alveolarization also corrected the effects of earlier Dex exposure, but the structural changes due to RA alone were again lost two weeks after treatment. Conclusion We conclude that both RA- and corticosteroid-treatments are associated with respiratory acidosis at d15. While RA alone-induced changes in structure andrespiratory function are reversed, Dex-treated animals continue to demonstrate increased respiratory rate, minute

  18. Microscopic universality of complex matrix model correlation functions at weak non-Hermiticity

    International Nuclear Information System (INIS)

    Akemann, G.

    2002-01-01

    The microscopic correlation functions of non-chiral random matrix models with complex eigenvalues are analyzed for a wide class of non-Gaussian measures. In the large-N limit of weak non-Hermiticity, where N is the size of the complex matrices, we can prove that all k-point correlation functions including an arbitrary number of Dirac mass terms are universal close to the origin. To this aim we establish the universality of the asymptotics of orthogonal polynomials in the complex plane. The universality of the correlation functions then follows from that of the kernel of orthogonal polynomials and a mapping of massive to massless correlators

  19. 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)

  20. The time-oriented boundary states and the Lorentzian-spinfoam correlation functions

    International Nuclear Information System (INIS)

    Bianchi, Eugenio; Ding You

    2012-01-01

    A time-oriented semiclassical boundary state is introduced to calculate the correlation function in the Lorentzian Engle-Pereira-Rovelli-Livine spinfoam model. The resulting semiclassical correlation function is shown to match with the one in Regge calculus in a proper limit.

  1. Peripheral origins and functional characteristics of vibration-sensitive VIIIth nerve fibers in the frog Rana temporaria

    DEFF Research Database (Denmark)

    Jøgensen, Morten Buhl; Christensen-Dalsgaard, Jakob

    1991-01-01

    were studied. 2) Vibration-sensitive fibers were found in both the anterior and posterior branch of the VIIIth nerve. 3) No vibration-sensitive fibers were found in the lagenar nerve. 4) The vibration-sensitive fibers in the posterior branch probably innervated the amphibian papilla and many...... of these fibers also responded to low-frequency sound. 5) The vibration-sensitive fibers in the anterior branch probably innervated the sacculus and the utriculus. 6) Hence, the grassfrog has at least two, and probably three, vibration-sensitive organs in the inner ear. 7) All fibers had V-shaped vibrational...... tuning curves. In the posterior branch best frequencies (BFs) ranged from 10 to 300 Hz, in the anterior branch from 10 to 100 Hz. In the posterior branch spike-rate thresholds at BF ranged from 0.04 to 1.28 cm/s2, in the anterior branch from 0.02 to 1.28 cm/s2. All fibers showed strong synchronization...

  2. Zinc phthalocyanine thin film and chemical analyte interaction studies by density functional theory and vibrational techniques

    International Nuclear Information System (INIS)

    Saini, G S S; Singh, Sukhwinder; Kumar, Ranjan; Tripathi, S K; Kaur, Sarvpreet; Sathe, Vasant

    2009-01-01

    Thin films of zinc phthalocyanine have been deposited on KBr and glass substrates by the thermal evaporation method and characterized by the x-ray diffraction, optical, infrared and Raman techniques. The observed x-ray diffraction and infrared absorption spectra of as-deposited thin films suggest the presence of an α crystalline phase. Infrared and Raman spectra of thin films after exposure to vapours of ammonia and methanol have also been recorded. Shifts in the position of some IR and Raman bands in the spectra of exposed films have been observed. Some bands also show changes in their intensity on exposure. Increased charge on the phthalocyanine ring and out-of-plane distortion of the core due to interaction between zinc phthalocyanine and vapour molecules involving the fifth coordination site of the central metal ion may be responsible for the band shifts. Changes in the intensity of bands are interpreted in terms of the lowering of molecular symmetry from D 4h to C 4v due to doming of the core. Molecular parameters and Mulliken atomic charges of zinc phthalocyanine and its complexes with methanol and ammonia have been calculated from density functional theory. The binding energy of the complexes have also been calculated. Calculated values of the energy for different complexes suggest that axially coordinated vapour molecules form the most stable complex. Calculated Mulliken atomic charges show net charge transfer from vapour molecules to the phthalocyanine ring for the most stable complex.

  3. Assessment of density-functional approximations: Long-range correlations and self-interaction effects

    International Nuclear Information System (INIS)

    Jung, J.; Alvarellos, J.E.; Garcia-Gonzalez, P.; Godby, R.W.

    2004-01-01

    The complex nature of electron-electron correlations is made manifest in the very simple but nontrivial problem of two electrons confined within a sphere. The description of highly nonlocal correlation and self-interaction effects by widely used local and semilocal exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles

  4. The elimination of singularities in pair correlation functions of a multicomponent liquid system

    International Nuclear Information System (INIS)

    Vasil'jev, O.M.; Chalij, O.V.

    2004-01-01

    In this paper we propose a method that allows to find nonsingular expressions for pair correlation functions of a multicomponent liquid system. The nature of the method deals with using integral and differential Ornstein-Zernike equations for finding asymptotic expressions for pair correlation functions and their subsequent precision. The obtained results are analyzed taking into account their possible applicability for studying the correlative behaviour of multicomponent liquid systems

  5. Synchrotron radiation and atom pair correlation functions in electrolyte solutions

    International Nuclear Information System (INIS)

    Triolo, R.; D'Aprano, A.

    1978-01-01

    Despite the enormous effort invested in experimental determinations of the properties of water and aqueous solutions, understanding is still rudimentary. Many of the problems are consequences of a nonrigorous definition of interparticle interactions. It is now clear that after properly ion--water interactions in terms of probability functions of position and orientation it is possible to probe these interactions at molecular levels using diffraction experiments. The role of synchrotron x-ray radiation in this context is being examined. Emphasis is given to the possibility of performing different experiments analogous to those done using the isotopic substitution method in neutron diffraction

  6. Functional and Anatomic Correlates of Neural Aging in Birds.

    Science.gov (United States)

    Ottinger, Mary Ann

    2018-01-01

    Avian species show variation in longevity, habitat, physiologic characteristics, and lifetime endocrine patterns. Lifetime reproductive and metabolic function vary. Much is known about the neurobiology of the song system in many altricial birds. Little is known about aging in neural systems in birds. Captive birds often survive beyond the age they would in the wild, providing an opportunity to gain an understanding of the physiologic and neural changes. This paper reviews the available information with the goal of capturing areas of potential investigation into gaps in our understanding of neural aging as reflected in physiologic, endocrine, and cognitive aging. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. New extended interpolating operators for hadron correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Scardino, Francesco; Papinutto, Mauro [Roma ' ' Sapienza' ' Univ. (Italy). Dipt. di Fisica; INFN, Sezione di Roma (Italy); Schaefer, Stefan [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2016-12-22

    New extended interpolating operators made of quenched three dimensional fermions are introduced in the context of lattice QCD. The mass of the 3D fermions can be tuned in a controlled way to find a better overlap of the extended operators with the states of interest. The extended operators have good renormalisation properties and are easy to control when taking the continuum limit. Moreover the short distance behaviour of the two point functions built from these operators is greatly improved. The operators have been numerically implemented and a comparison to point sources and Jacobi smeared sources has been performed on the new CLS configurations.

  8. New extended interpolating operators for hadron correlation functions

    International Nuclear Information System (INIS)

    Scardino, Francesco; Papinutto, Mauro; Schaefer, Stefan

    2016-01-01

    New extended interpolating operators made of quenched three dimensional fermions are introduced in the context of lattice QCD. The mass of the 3D fermions can be tuned in a controlled way to find a better overlap of the extended operators with the states of interest. The extended operators have good renormalisation properties and are easy to control when taking the continuum limit. Moreover the short distance behaviour of the two point functions built from these operators is greatly improved. The operators have been numerically implemented and a comparison to point sources and Jacobi smeared sources has been performed on the new CLS configurations.

  9. Correlation functions in hard and (semi-)inclusive processes

    International Nuclear Information System (INIS)

    Schlegel, Marc; Meissner, Stephan; Metz, Andreas

    2009-01-01

    Possible relations between two a priori different classes of parton distributions, the Generalized Parton Distributions (GPDs) and the Transverse Momentum Dependent parton distributions (TMDs), are discussed in this note. Although these relations were proven to hold exactly only in simple models they imply an appealingly simple and intuitive explanation for single-spin asymmetries in semi-inclusive deep-inelastic scattering. In this context we perform a first classification of common mother functions of GPDs and TMDs, so-called Generalized Transverse Momentum Dependent parton distributions (GTMDs), investigate their GPD- and TMD-limits, and gain new insight into the nature of these relations.

  10. Density functional theory for prediction of far-infrared vibrational frequencies: molecular crystals of astrophysical interest

    Science.gov (United States)

    Ennis, C.; Auchettl, R.; Appadoo, D. R. T.; Robertson, E. G.

    2017-11-01

    Solid-state density functional theory code has been implemented for the structure optimization of crystalline methanol, acetaldehyde and acetic acid and for the calculation of infrared frequencies. The results are compared to thin film spectra obtained from low-temperature experiments performed at the Australian Synchrotron. Harmonic frequency calculations of the internal modes calculated at the B3LYP-D3/m-6-311G(d) level shows higher deviation from infrared experiment than more advanced theory applied to the gas phase. Importantly for the solid-state, the simulation of low-frequency molecular lattice modes closely resembles the observed far-infrared features after application of a 0.92 scaling factor. This allowed experimental peaks to be assigned to specific translation and libration modes, including acetaldehyde and acetic acid lattice features for the first time. These frequency calculations have been performed without the need for supercomputing resources that are required for large molecular clusters using comparable levels of theory. This new theoretical approach will find use for the rapid characterization of intermolecular interactions and bonding in crystals, and the assignment of far-infrared spectra for crystalline samples such as pharmaceuticals and molecular ices. One interesting application may be for the detection of species of prebiotic interest on the surfaces of Kuiper-Belt and Trans-Neptunian Objects. At such locations, the three small organic molecules studied here could reside in their crystalline phase. The far-infrared spectra for their low-temperature solid phases are collected under planetary conditions, allowing us to compile and assign their most intense spectral features to assist future far-infrared surveys of icy Solar system surfaces.

  11. Patching the Exchange-Correlation Potential in Density Functional Theory.

    Science.gov (United States)

    Huang, Chen

    2016-05-10

    A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

  12. PyCCF: Python Cross Correlation Function for reverberation mapping studies

    Science.gov (United States)

    Sun, Mouyuan; Grier, C. J.; Peterson, B. M.

    2018-05-01

    PyCCF emulates a Fortran program written by B. Peterson for use with reverberation mapping. The code cross correlates two light curves that are unevenly sampled using linear interpolation and measures the peak and centroid of the cross-correlation function. In addition, it is possible to run Monto Carlo iterations using flux randomization and random subset selection (RSS) to produce cross-correlation centroid distributions to estimate the uncertainties in the cross correlation results.

  13. Correlation between videogame mechanics and executive functions through EEG analysis.

    Science.gov (United States)

    Mondéjar, Tania; Hervás, Ramón; Johnson, Esperanza; Gutierrez, Carlos; Latorre, José Miguel

    2016-10-01

    This paper addresses a different point of view of videogames, specifically serious games for health. This paper contributes to that area with a multidisciplinary perspective focus on neurosciences and computation. The experiment population has been pre-adolescents between the ages of 8 and 12 without any cognitive issues. The experiment consisted in users playing videogames as well as performing traditional psychological assessments; during these tasks the frontal brain activity was evaluated. The main goal was to analyse how the frontal lobe of the brain (executive function) works in terms of prominent cognitive skills during five types of game mechanics widely used in commercial videogames. The analysis was made by collecting brain signals during the two phases of the experiment, where the signals were analysed with an electroencephalogram neuroheadset. The validated hypotheses were whether videogames can develop executive functioning and if it was possible to identify which kind of cognitive skills are developed during each kind of typical videogame mechanic. The results contribute to the design of serious games for health purposes on a conceptual level, particularly in support of the diagnosis and treatment of cognitive-related pathologies. Copyright © 2016 Elsevier Inc. All rights reserved.

  14. The heat current density correlation function: sum rules and thermal conductivity

    International Nuclear Information System (INIS)

    Singh, Shaminder; Tankeshwar, K; Pathak, K N; Ranganathan, S

    2006-01-01

    Expressions for the second and fourth sum rules of the heat current density correlation function have been derived in an appropriate ensemble. The thermal conductivity of Lennard-Jones fluids has been calculated using these sum rules for the heat current density correlation function and the Gaussian form of the memory function. It is found that the results obtained for the thermal conductivity are in good agreement with the molecular dynamics simulation results over a wide range of densities and temperatures. Earlier results obtained using the energy current density correlation function are also discussed

  15. The heat current density correlation function: sum rules and thermal conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Shaminder [Department of Physics, Panjab University, Chandigarh-160 014 (India); Tankeshwar, K [Department of Physics, Panjab University, Chandigarh-160 014 (India); Pathak, K N [Department of Physics, Panjab University, Chandigarh-160 014 (India); Ranganathan, S [Department of Physics, Royal Military College, Kingston, ON, K7K 7B4 (Canada)

    2006-02-01

    Expressions for the second and fourth sum rules of the heat current density correlation function have been derived in an appropriate ensemble. The thermal conductivity of Lennard-Jones fluids has been calculated using these sum rules for the heat current density correlation function and the Gaussian form of the memory function. It is found that the results obtained for the thermal conductivity are in good agreement with the molecular dynamics simulation results over a wide range of densities and temperatures. Earlier results obtained using the energy current density correlation function are also discussed.

  16. Correlation function and electronic spectral line broadening in relativistic plasmas

    Directory of Open Access Journals (Sweden)

    Douis S.

    2013-01-01

    Full Text Available The electrons dynamics and the time autocorrelation function Cee(t for the total electric microfield of the electrons on positive charge impurity embedded in a plasma are considered when the relativistic dynamic of the electrons is taken into account. We have, at first, built the effective potential governing the electrons dynamics. This potential obeys a nonlinear integral equation that we have solved numerically. Regarding the electron broadening of the line in plasma, we have found that when the plasma parameters change, the amplitude of the collision operator changes in the same way as the time integral of Cee(t. The electron-impurity interaction is taken at first time as screened Deutsh interaction and at the second time as Kelbg interaction. Comparisons of all interesting quantities are made with respect to the previous interactions as well as between classical and relativistic dynamics of electrons.

  17. Ship Vibrations

    DEFF Research Database (Denmark)

    Sørensen, Herman

    1997-01-01

    Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...

  18. On the zero temperature limit of the Kubo-transformed quantum time correlation function

    Science.gov (United States)

    Hernández de la Peña, Lisandro

    2014-04-01

    The zero temperature limit of several quantum time correlation functions is analysed. It is shown that while the canonical quantum time correlation function retains the full dynamical information as temperature approaches zero, the Kubo-transformed and the thermally symmetrised quantum time correlation functions lose all dynamical information at this limit. This is shown to be a consequence of the projection onto the ground state, via the limiting process of the quantities ? and ?, either together as a product, or separately. Although these findings would seem to suggest that finite-temperature methods commonly used to estimate Kubo correlation functions would be incapable of retaining any ground state dynamics, we propose a route for recovering in principle all dynamical information at the ground state. It is first shown that the usual frequency space relation between canonical and Kubo correlation functions also holds for microcanonical time correlation functions. Since the Kubo-transformed microcanonical correlation function can be obtained from the usual finite-temperature function by including a projection onto the corresponding microcanonical ensemble, finite-temperature methods, properly modified to incorporate such a constraint, can be used to capture full quantum dynamics at any arbitrary energy state, including the ground state. This approach is illustrated with the application of centroid dynamics to the ground state dynamics of the harmonic oscillator.

  19. On Montgomery's pair correlation conjecture to the zeros of Riedmann zeta function

    OpenAIRE

    Li, Pei

    2005-01-01

    In this thesis, we are interested in Montgomery's pair correlation conjecture which is about the distribution of.the spacings between consecutive zeros of the Riemann Zeta function. Our goal is to explain and study Montgomery's pair correlation conjecture and discuss its connection with the random matrix theory. In Chapter One, we will explain how to define the Ftiemann Zeta function by using the analytic continuation. After this, several classical properties of the Ftiemann Zeta function wil...

  20. Conformal scalar field on the hyperelliptic curve and critical Ashkin-Teller multipoint correlation functions

    International Nuclear Information System (INIS)

    Zamolodchikov, A.B.

    1987-01-01

    A multipoint conformal block of Ramond states of the two-dimensional free scalar field is calculated. This function is related to the free energy of the scalar field on the hyperelliptic Riemann surface under a particular choice of boundary conditions. Being compactified on the circle this field leads to the crossing symmetric correlation functions with a discrete spectrum of scale dimensions. These functions are supposed to describe multipoint spin correlations of the critical Ashkin-Teller model. (orig.)

  1. The correlation function for density perturbations in an expanding universe. II - Nonlinear theory

    Science.gov (United States)

    Mcclelland, J.; Silk, J.

    1977-01-01

    A formalism is developed to find the two-point and higher-order correlation functions for a given distribution of sizes and shapes of perturbations which are randomly placed in three-dimensional space. The perturbations are described by two parameters such as central density and size, and the two-point correlation function is explicitly related to the luminosity function of groups and clusters of galaxies

  2. Functional hypothalamic amenorrhea and its psychological correlates: a controlled comparison.

    Science.gov (United States)

    Pentz, Ivana; Nakić Radoš, Sandra

    2017-04-01

    The goal of the study was to examine differences between adolescents and young women with functional hypothalamic amenorrhea (FHA) and control groups in personality traits, eating attitudes and behaviours, and perception of parental behaviour. The FHA is stress-induced anovulation, both related to metabolic challenges, such as excessive exercise and malnutrition, and psychogenic challenges, such as perfectionism and poor coping strategies. Three groups of adolescents and young women participated in the study: the FHA group (N = 25), the organic anovulation group (N = 21) and the eumenorrheic group with regular menstrual cycle (N = 20). Questionnaires on multidimensional perfectionism, self-control methods, eating attitudes and behaviours and perception of parental behaviour were administered. A clinical interview (SCID) was conducted with each participant. The FHA group had higher levels of perfectionism traits, i.e. higher levels of concerns over mistakes and personal standards, compared to control groups. The FHA group did not engage in disordered eating behaviours more often in comparison with control groups, but reported more prevalent history of anorexia nervosa. The FHA group did not differ from controls in perception of parental rejection, emotional warmth or overprotection. The findings suggest that FHA can be characterised by the subtle psychological differences in personality traits, so the patients need to be diagnosed carefully.

  3. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.

    2000-01-01

    at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...

  4. Nonlinearity of the forward-backward correlation function in the model with string fusion

    Science.gov (United States)

    Vechernin, Vladimir

    2017-12-01

    The behavior of the forward-backward correlation functions and the corresponding correlation coefficients between multiplicities and transverse momenta of particles produced in high energy hadronic interactions is analyzed by analytical and MC calculations in the models with and without string fusion. The string fusion is taking into account in simplified form by introducing the lattice in the transverse plane. The results obtained with two alternative definitions of the forward-backward correlation coefficient are compared. It is shown that the nonlinearity of correlation functions increases with the width of observation windows, leading at small string density to a strong dependence of correlation coefficient value on the definition. The results of the modeling enable qualitatively to explain the experimentally observed features in the behavior of the correlation functions between multiplicities and mean transverse momenta at small and large multiplicities.

  5. Polymer density functional theory approach based on scaling second-order direct correlation function.

    Science.gov (United States)

    Zhou, Shiqi

    2006-06-01

    A second-order direct correlation function (DCF) from solving the polymer-RISM integral equation is scaled up or down by an equation of state for bulk polymer, the resultant scaling second-order DCF is in better agreement with corresponding simulation results than the un-scaling second-order DCF. When the scaling second-order DCF is imported into a recently proposed LTDFA-based polymer DFT approach, an originally associated adjustable but mathematically meaningless parameter now becomes mathematically meaningful, i.e., the numerical value lies now between 0 and 1. When the adjustable parameter-free version of the LTDFA is used instead of the LTDFA, i.e., the adjustable parameter is fixed at 0.5, the resultant parameter-free version of the scaling LTDFA-based polymer DFT is also in good agreement with the corresponding simulation data for density profiles. The parameter-free version of the scaling LTDFA-based polymer DFT is employed to investigate the density profiles of a freely jointed tangent hard sphere chain near a variable sized central hard sphere, again the predictions reproduce accurately the simulational results. Importance of the present adjustable parameter-free version lies in its combination with a recently proposed universal theoretical way, in the resultant formalism, the contact theorem is still met by the adjustable parameter associated with the theoretical way.

  6. Cross-Correlation-Function-Based Multipath Mitigation Method for Sine-BOC Signals

    Directory of Open Access Journals (Sweden)

    H. H. Chen

    2012-06-01

    Full Text Available Global Navigation Satellite Systems (GNSS positioning accuracy indoor and urban canyons environments are greatly affected by multipath due to distortions in its autocorrelation function. In this paper, a cross-correlation function between the received sine phased Binary Offset Carrier (sine-BOC modulation signal and the local signal is studied firstly, and a new multipath mitigation method based on cross-correlation function for sine-BOC signal is proposed. This method is implemented to create a cross-correlation function by designing the modulated symbols of the local signal. The theoretical analysis and simulation results indicate that the proposed method exhibits better multipath mitigation performance compared with the traditional Double Delta Correlator (DDC techniques, especially the medium/long delay multipath signals, and it is also convenient and flexible to implement by using only one correlator, which is the case of low-cost mass-market receivers.

  7. Correlations between motor and sensory functions in upper limb chronic hemiparetics after stroke

    Directory of Open Access Journals (Sweden)

    Thais Botossi Scalha

    2011-08-01

    Full Text Available OBJECTIVE: Describe the somatosensory function of the affected upper limb of hemiparetic stroke patients and investigate the correlations between measurements of motor and sensory functions in tasks with and without visual deprivation. METHOD: We applied the Fugl-Meyer Assessment (FMA, Nottingham Sensory Assessment (NSA, and several motor and sensory tests: Paper manipulation (PM, Motor Sequences (MS, Reaching and grasping (RG Tests Functional (TF, Tactile Discrimination (TD, Weight Discrimination (WD and Tactile Recognition of Objects (RO. RESULTS: We found moderate correlations between the FMA motor subscale and the tactile sensation score of the NSA. Additionally, the FMA sensitivity was correlated with the NSA total; and performance on the WD test items correlated with the NSA. CONCLUSION: There was a correlation between the sensory and motor functions of the upper limb in chronic hemiparetic stroke patients. Additionally, there was a greater reliance on visual information to compensate for lost sensory-motor skills.

  8. Correlation with liver scintigram, reticuloendothelial function test, plasma endotoxin level and liver function tests in chronic liver diseases. Multivariate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ohmoto, Kenji; Yamamoto, Shinichi; Ideguchi, Seiji and others

    1989-02-01

    Liver scintigrams with Tc-99m phytate were reviewed in a total of 64 consecutive patients, comprising 28 with chronic hepatitis and 36 with liver cirrhosis. Reticuloendothelial (RES) function, plasma endotoxin (Et) levels and findings of general liver function tests were used as reference parameters to determine the diagnostic ability of liver scintigraphy. Multivariate analyses revealed that liver scintigrams had a strong correlation with RES function and Et levels in terms of morphology of the liver and hepatic and bone marrow Tc-99m uptake. General liver function tests revealed gamma globulin to be correlated with hepatic uptake and the degree of splenogemaly on liver scintigrams; and ICG levels at 15 min to be correlated with bone marrow and splenic uptake. Accuracy of liver scintigraphy was 73% for chronic hepatitis, which was inferior to general liver function tests (83%). When both modalities were combined, diangostic accuracy increased to 95%. Liver scintigraphy seems to be useful as a complementary approach. (Namekawa, K).

  9. Genetic and Environmental Basis in Phenotype Correlation Between Physical Function and Cognition in Aging Chinese Twins

    DEFF Research Database (Denmark)

    Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao

    2017-01-01

    for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative......Although the correlation between cognition and physical function has been well studied in the general population, the genetic and environmental nature of the correlation has been rarely investigated. We conducted a classical twin analysis on cognitive and physical function, including forced...... and cognitive function. Bivariate analysis showed mildly positively genetic correlations between cognition and FEV1, r G = 0.23 [95% CI: 0.03, 0.62], as well as FVC, r G = 0.35 [95% CI: 0.06, 1.00]. We found that FTSST and cognition presented very high common environmental correlation, r C = -1.00 [95% CI: -1...

  10. Bulk stress auto-correlation function in simple liquids-sum rules

    International Nuclear Information System (INIS)

    Tankeshwar, K.; Bhandari, R.; Pathak, K.N.

    1990-10-01

    Expressions for the zeroth, second and fourth frequency sum rules of the bulk stress auto correlation function have been derived. The exact expressions involve static correlation function up to four particles. Because of the non availability of any information about static quadruplet correlation function we use a low order decoupling approximation for this. In this work, we have obtained, separately, the sum rules for the different mechanism of momentum transfer in the fluids. The results are expected to be useful in the study of bulk viscosity of the fluids. (author). 9 refs

  11. Characterization of topological phases of dimerized Kitaev chain via edge correlation functions

    Science.gov (United States)

    Wang, Yucheng; Miao, Jian-Jian; Jin, Hui-Ke; Chen, Shu

    2017-11-01

    We study analytically topological properties of a noninteracting modified dimerized Kitaev chain and an exactly solvable interacting dimerized Kitaev chain under open boundary conditions by analyzing two introduced edge correlation functions. The interacting dimerized Kitaev chain at the symmetry point Δ =t and the chemical potential μ =0 can be exactly solved by applying two Jordan-Wigner transformations and a spin rotation, which permits us to calculate the edge correlation functions analytically. We demonstrate that the two edge correlation functions can be used to characterize the trivial, Su-Schrieffer-Heeger-like topological and topological superconductor phases of both the noninteracting and interacting systems and give their phase diagrams.

  12. The correlation functions for the clustering of galaxies and Abell clusters

    International Nuclear Information System (INIS)

    Jones, B.J.T.; Jones, J.E.; Copenhagen Univ.

    1985-01-01

    The difference in amplitudes between the galaxy-galaxy correlation function and the correlation function between Abell clusters is a consequence of two facts. Firstly, most Abell clusters with z<0.08 lie in a relatively small volume of the sampled space, and secondly, the fraction of galaxies lying in Abell clusters differs considerably inside and outside of this volume. (The Abell clusters are confined to a smaller volume of space than are the galaxies.) We discuss the implications of this interpretation of the clustering correlation functions and present a simple model showing how such a situation may arise quite naturally in standard theories for galaxy formation. (orig.)

  13. Two-proton correlation functions for equilibrium and non-equilibrium emission

    International Nuclear Information System (INIS)

    Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.

    1990-01-01

    Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)

  14. Correlation functions of the energy-momentum tensor in SU(2) gauge theory at finite temperature

    DEFF Research Database (Denmark)

    Huebner, K.; Karsch, F.; Pica, Claudio

    2008-01-01

    We calculate correlation functions of the energy-momentum tensor in the vicinity of the deconfinement phase transition of (3+1)-dimensional SU(2) gauge theory and discuss their critical behavior in the vicinity of the second order deconfinement transition. We show that correlation functions...... of the trace of the energy momentum tensor diverge uniformly at the critical point in proportion to the specific heat singularity. Correlation functions of the pressure, on the other hand, stay finite at the critical point. We discuss the consequences of these findings for the analysis of transport...... coefficients, in particular the bulk viscosity, in the vicinity of a second order phase transition point....

  15. Correlation between Cognitive Functions and Activity of Daily Living among Post-Stroke Patients

    Directory of Open Access Journals (Sweden)

    Kurniawan Prakoso

    2016-09-01

    Full Text Available Background: Cognitive impairment is one of the most common post-stroke complications; however, neither patients nor health professionals are often aware of this complication. The impact of cognitive impairment on quality of life is reflected through basic activity daily living (bADL and instrumental activity daily living (IADL. Prior studies concerning the correlation between cognitive impairment and activity daily living has shown contradictive results. This study was conducted in order to analyze the correlation between the cognitive functions and activity daily living in post stroke patients at Dr. Hasan Sadikin General Hospital. Methods: This cross-sectional study was carried out to 23 post-stroke patients from September–November 2015. Samples were collected through consecutive sampling at Dr. Hasan Sadikin General Hospital. Mini Mental State Examination (MMSE was used to assess the cognitive functions and Lawton and Brody Scale to assess both bADL and IADL. Spearman correlation was selected to analyze the existing correlation between each cognitive domain and activity daily living. Results: Spearman statistical correlation showed an insignificant correlation between the cognitive functions and bADL (r2=0.181, p=0.408 and a significant correlation with IADL was obtained (r2=0.517, p=0.03. The only cognitive domain positively correlated with IADL was orientation to time and verbal recall. Conclusions: There is a correlation between cognitive functions and IADL among post-stroke patients at Dr. Hasan Sadikin General Hospital.

  16. Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections.

    Science.gov (United States)

    Arbuznikov, Alexei V; Kaupp, Martin

    2012-01-07

    Local hybrid functionals with their position-dependent exact-exchange admixture are a conceptually simple and promising extension of the concept of a hybrid functional. Local hybrids based on a simple mixing of the local spin density approximation (LSDA) with exact exchange have been shown to be successful for thermochemistry, reaction barriers, and a range of other properties. So far, the combination of this generation of local hybrids with an LSDA correlation functional has been found to give the most favorable results for atomization energies, for a range of local mixing functions (LMFs) governing the exact-exchange admixture. Here, we show that the choice of correlation functional to be used with local hybrid exchange crucially influences the parameterization also of the exchange part as well as the overall performance. A novel ansatz for the correlation part of local hybrids is suggested based on (i) range-separation of LSDA correlation into short-range (SR) and long-range (LR) parts, and (ii) partial or full elimination of the one-electron self-correlation from the SR part. It is shown that such modified correlation functionals allow overall larger exact exchange admixture in thermochemically competitive local hybrids than before. This results in improvements for reaction barriers and for other properties crucially influenced by self-interaction errors, as demonstrated by a number of examples. Based on the range-separation approach, a fresh view on the breakdown of the correlation energy into dynamical and non-dynamical parts is suggested.

  17. Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO-LUMO of midodrine by using density functional methods.

    Science.gov (United States)

    Shahidha, R; Al-Saadi, Abdulaziz A; Muthu, S

    2015-01-05

    The FTIR (4000-400 cm(-1)), FT-Raman (4000-100 cm(-1)) and UV-Visible (400-200 nm) spectra of midodrine were recorded in the condensed state. The complete vibrational frequencies, optimized geometry, intensity of vibrational bands and atomic charges were obtained by using Density Functional Theory (DFT) with the help of 6-311++G(d,p) basis set. The first order hyperpolarizability (β) and related properties (μ, α and Δα) of this molecular system were calculated by using DFT/6-311++G(d,p) method based on the finite-field approach. The assignments of the vibrational spectra have been carried out with the help of Normal Co-ordinate Analysis (NCA) following the scaled quantum mechanical force methodology. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using NBO analysis. From the recorded UV-Visible spectrum, the electronic properties such as excitation energies, oscillator strength and wavelength are calculated by DFT in water and gas methods using 6-311++G(d,p) basis set. The calculated HOMO and LUMO energies confirm that charge transfer occurs within the molecule. Besides MEP, NLO and thermodynamic properties were also calculated and interpreted. The electron density-based local reactivity descriptor such as Fukui functions was calculated to explain the chemical selectivity or reactivity site in midodrine. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

    Science.gov (United States)

    Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

    2013-10-01

    An organic-organic salt, bis (4-nitrophenol) 2,4,6-triamino 1,3,5-triazine monohydrate (BNPM) has been prepared by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in triclinic system with centrosymmetric space group P-1. IR and Raman spectra of BNPM have been recorded and analyzed. The study has been extended to confocal Raman spectral analysis. Band assignments have been made for the melamine and p-nitrophenol molecules. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory calculations using Firefly (PC GAMESS) Version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with the experimental one. The Mulliken charges, HOMO-LUMO orbital energies are calculated and analyzed. The chemical structure of the compound was established by 1H NMR and 13C NMR spectra.

  19. Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

    DEFF Research Database (Denmark)

    Kumpf, C.; Müller, A.; Weigand, W.

    2003-01-01

    The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

  20. Quantum spin correction scheme based on spin-correlation functional for Kohn-Sham spin density functional theory

    International Nuclear Information System (INIS)

    Yamanaka, Shusuke; Takeda, Ryo; Nakata, Kazuto; Takada, Toshikazu; Shoji, Mitsuo; Kitagawa, Yasutaka; Yamaguchi, Kizashi

    2007-01-01

    We present a simple quantum correction scheme for ab initio Kohn-Sham spin density functional theory (KS-SDFT). This scheme is based on a mapping from ab initio results to a Heisenberg model Hamiltonian. The effective exchange integral is estimated by using energies and spin correlation functionals calculated by ab initio KS-SDFT. The quantum-corrected spin-correlation functional is open to be designed to cover specific quantum spin fluctuations. In this article, we present a simple correction for dinuclear compounds having multiple bonds. The computational results are discussed in relation to multireference (MR) DFT, by which we treat the quantum many-body effects explicitly

  1. 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.

  2. Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function

    DEFF Research Database (Denmark)

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

    2003-01-01

    correlation function g4(r,t) and corresponding "structure factor" S4(q,t) which measure the spatial correlations between the local liquid density at two points in space, each at two different times, and so are sensitive to dynamical heterogeneity. We study g4(r,t) and S4(q,t) via molecular dynamics......Relaxation in supercooled liquids above their glass transition and below the onset temperature of "slow" dynamics involves the correlated motion of neighboring particles. This correlated motion results in the appearance of spatially heterogeneous dynamics or "dynamical heterogeneity." Traditional...... two-point time-dependent density correlation functions, while providing information about the transient "caging" of particles on cooling, are unable to provide sufficiently detailed information about correlated motion and dynamical heterogeneity. Here, we study a four-point, time-dependent density...

  3. Whole-body vibration improves functional capacity and quality of life in patients with severe chronic obstructive pulmonary disease (COPD: a pilot study

    Directory of Open Access Journals (Sweden)

    Braz Júnior DS

    2015-01-01

    Full Text Available Donato S Braz Júnior, Arméle Dornelas de Andrade, Andrei S Teixeira, Cléssyo A Cavalcanti, André B Morais, Patrícia EM Marinho Department of Physical Therapy, Cardiopulmonary Physical Therapy Laboratory, Universidade Federal de Pernambuco, Recife, Brazil Background: Exercise intolerance is a common development in patients with chronic obstructive pulmonary disease (COPD. There is little data on the use of an isolated program using vibration platform training on functional capacity in these patients, which is an area that deserves investigation.Aim: To investigate the effect of training on a vibrating platform (whole-body vibration [WBV] on functional performance and quality of life of subjects with COPD.Methods: A randomized controlled crossover pilot study with eleven subjects with COPD (forced expiratory volume in 1 second [FEV1]% predicted =14.63±11.14; forced vital capacity [FVC]% predicted =48.84±15.21; FEV1/FVC =47.39±11.63 underwent a 12-week WBV training program. Participants were randomized into the intervention group (IG undergoing three sessions per week for a total of 12 weeks and control group (CG without intervention. We evaluated the 6-minute walk test (6MWT, distance walked (DW, duration of the walk (TW, and index of perceived exertion (IPE, quality of life using St George’s Respiratory Questionnaire (SGRQ and developed a 12-week program of training on a vibrating platform.Results: The mean age was 62.91±8.82 years old (72.7% male. The DW increased at the end of training with a difference between groups of 75 m; all domains of the SGRQ improved at the end of training. The effect size Cohen’s d ranged from small to large for all the measured results.Conclusion: These preliminary results suggest that WBV may potentially be a safe and feasible way to improve functional capacity in the 6MWT of patients with COPD undergoing a training program on the vibrating platform as well as in all domains of the SGRQ quality of life

  4. Long-distance behavior of temperature correlation functions in the one-dimensional Bose gas

    Energy Technology Data Exchange (ETDEWEB)

    Kozlowski, K.K. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Maillet, J.M. [UMR 5672 du CNRS, ENS Lyon (France). Lab. de Physique; Slavnov, N.A. [Steklov Mathematical Institute, Moscow (Russian Federation)

    2010-12-15

    We describe a Bethe ansatz based method to derive, starting from a multiple integral representation, the long-distance asymptotic behavior at finite temperature of the density-density correlation function in the interacting onedimensional Bose gas. We compute the correlation lengths in terms of solutions of non-linear integral equations of the thermodynamic Bethe ansatz type. Finally, we establish a connection between the results obtained in our approach with the correlation lengths stemming from the quantum transfer matrix method. (orig.)

  5. Correlation functions of the chiral stress-tensor multiplet in $ \\mathcal{N}=4 $ SYM

    CERN Document Server

    Chicherin, Dmitry; Eden, Burkhard; Heslop, Paul; Korchemsky, Gregory P.; Mason, Lionel; Sokatchev, Emery

    2015-01-01

    We give a new method for computing the correlation functions of the chiral part of the stress-tensor supermultiplet that relies on the reformulation of N=4 SYM in twistor space. It yields the correlation functions in the Born approximation as a sum of Feynman diagrams on twistor space that involve only propagators and no integration vertices. We use this unusual feature of the twistor Feynman rules to compute the correlation functions in terms of simple building blocks which we identify as a new class of N=4 off-shell superconformal invariants. Making use of the duality between correlation functions and planar scattering amplitudes, we demonstrate that these invariants represent an off-shell generalisation of the on-shell invariants defining tree-level scattering amplitudes in N=4 SYM.

  6. Four-point correlation function of stress-energy tensors in N=4 superconformal theories

    CERN Document Server

    Korchemsky, G P

    2015-01-01

    We derive the explicit expression for the four-point correlation function of stress-energy tensors in four-dimensional N=4 superconformal theory. We show that it has a remarkably simple and suggestive form allowing us to predict a large class of four-point correlation functions involving the stress-energy tensor and other conserved currents. We then apply the obtained results on the correlation functions to computing the energy-energy correlations, which measure the flow of energy in the final states created from the vacuum by a source. We demonstrate that they are given by a universal function independent of the choice of the source. Our analysis relies only on N=4 superconformal symmetry and does not use the dynamics of the theory.

  7. Correlation of bowel symptoms with colonic transit, length, and faecal load in functional faecal retention

    DEFF Research Database (Denmark)

    Raahave, Dennis; Christensen, Elsebeth; Loud, Franck B.

    2009-01-01

    INTRODUCTION: Abdominal pain, bloating, and defecation disturbances are common complaints in gastrointestinal functional disorders. This study explores whether bowel symptoms are correlated to colon transit time (CTT), faecal loading (coprostasis), and colon length; and whether prokinetic interve...

  8. 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...

  9. Mean density and two-point correlation function for the CfA redshift survey slices

    International Nuclear Information System (INIS)

    De Lapparent, V.; Geller, M.J.; Huchra, J.P.

    1988-01-01

    The effect of large-scale inhomogeneities on the determination of the mean number density and the two-point spatial correlation function were investigated for two complete slices of the extension of the Center for Astrophysics (CfA) redshift survey (de Lapparent et al., 1986). It was found that the mean galaxy number density for the two strips is uncertain by 25 percent, more so than previously estimated. The large uncertainty in the mean density introduces substantial uncertainty in the determination of the two-point correlation function, particularly at large scale; thus, for the 12-deg slice of the CfA redshift survey, the amplitude of the correlation function at intermediate scales is uncertain by a factor of 2. The large uncertainties in the correlation functions might reflect the lack of a fair sample. 45 references

  10. Four-body correlation embedded in antisymmetrized geminal power wave function.

    Science.gov (United States)

    Kawasaki, Airi; Sugino, Osamu

    2016-12-28

    We extend the Coleman's antisymmetrized geminal power (AGP) to develop a wave function theory that can incorporate up to four-body correlation in a region of strong correlation. To facilitate the variational determination of the wave function, the total energy is rewritten in terms of the traces of geminals. This novel trace formula is applied to a simple model system consisting of one dimensional Hubbard ring with a site of strong correlation. Our scheme significantly improves the result obtained by the AGP-configuration interaction scheme of Uemura et al. and also achieves more efficient compression of the degrees of freedom of the wave function. We regard the result as a step toward a first-principles wave function theory for a strongly correlated point defect or adsorbate embedded in an AGP-based mean-field medium.

  11. Simulation-based computation of the workload correlation function in a Lévy-driven queue

    NARCIS (Netherlands)

    Glynn, P.W.; Mandjes, M.

    2011-01-01

    In this paper we consider a single-server queue with Lévy input, and, in particular, its workload process (Qt)t≥0, focusing on its correlation structure. With the correlation function defined as r(t):= cov(Q0, Qt) / varQ0 (assuming that the workload process is in stationarity at time 0), we first

  12. Simulation-based computation of the workload correlation function in a Levy-driven queue

    NARCIS (Netherlands)

    P. Glynn; M.R.H. Mandjes (Michel)

    2009-01-01

    htmlabstractIn this paper we consider a single-server queue with Levy input, and in particular its workload process (Q_t), focusing on its correlation structure. With the correlation function defined as r(t) := Cov(Q_0, Q_t)/Var Q_0 (assuming the workload process is in stationarity at time 0), we

  13. Simulation-based computation of the workload correlation function in a Lévy-driven queue

    NARCIS (Netherlands)

    P. Glynn; M.R.H. Mandjes (Michel)

    2010-01-01

    htmlabstractIn this paper we consider a single-server queue with Levy input, and in particular its workload process (Q_t), focusing on its correlation structure. With the correlation function defined as r(t) := Cov(Q_0,Q_t)/Var(Q_0) (assuming the workload process is in stationarity at time 0), we

  14. Effects of wave function correlations on scaling violation in quasi-free electron scattering

    International Nuclear Information System (INIS)

    Tornow, V.; Drechsel, D.; Orlandini, G.; Traini, M.

    1981-01-01

    The scaling law in quasi-free electron scattering is broken due to the existence of exchange forces, leading to a finite mean value of the scaling variable anti y. This effect is considerably increased by wave function correlations, in particular by tensor correlations, similar to the case of the photonuclear enhancement factor k. (orig.)

  15. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

  16. Do all pure entangled states violate Bell's inequalities for correlation functions?

    Science.gov (United States)

    Zukowski, Marek; Brukner, Caslav; Laskowski, Wiesław; Wieśniak, Marcin

    2002-05-27

    Any pure entangled state of two particles violates a Bell inequality for two-particle correlation functions (Gisin's theorem). We show that there exist pure entangled N>2 qubit states that do not violate any Bell inequality for N particle correlation functions for experiments involving two dichotomic observables per local measuring station. We also find that Mermin-Ardehali-Belinskii-Klyshko inequalities may not always be optimal for refutation of local realistic description.

  17. A model for the two-point velocity correlation function in turbulent channel flow

    International Nuclear Information System (INIS)

    Sahay, A.; Sreenivasan, K.R.

    1996-01-01

    A relatively simple analytical expression is presented to approximate the equal-time, two-point, double-velocity correlation function in turbulent channel flow. To assess the accuracy of the model, we perform the spectral decomposition of the integral operator having the model correlation function as its kernel. Comparisons of the empirical eigenvalues and eigenfunctions with those constructed from direct numerical simulations data show good agreement. copyright 1996 American Institute of Physics

  18. Structure functions and pair correlations of the quark-gluon plasma

    International Nuclear Information System (INIS)

    Thoma, Markus H.

    2005-01-01

    Recent experiments at RHIC and theoretical considerations indicate that the quark-gluon plasma, present in the fireball of relativistic heavy-ion collisions, might be in a liquid phase. The liquid state can be identified by characteristic correlation and structure functions. Here definitions of the structure functions and pair correlations of the quark-gluon plasma are presented as well as perturbative results. These definitions might be useful for verifying the quark-gluon-plasma liquid in QCD lattice calculations

  19. Short-Term Effects of Whole-Body Vibration Combined with Task-Related Training on Upper Extremity Function, Spasticity, and Grip Strength in Subjects with Poststroke Hemiplegia: A Pilot Randomized Controlled Trial.

    Science.gov (United States)

    Lee, Jung-Sun; Kim, Chang-Yong; Kim, Hyeong-Dong

    2016-08-01

    The aim of this study was to determine the effect of whole-body vibration training combined with task-related training on arm function, spasticity, and grip strength in subjects with poststroke hemiplegia. Forty-five subjects with poststroke were randomly allocated to 3 groups, each with 15 subjects as follows: control group, whole-body vibration group, and whole-body vibration plus task-related training group. Outcome was evaluated by clinical evaluation and measurements of the grip strength before and 4 weeks after intervention. Our results show that there was a significantly greater increase in the Fugl-Meyer scale, maximal grip strength of the affected hand, and grip strength normalized to the less affected hand in subjects undergoing the whole-body vibration training compared with the control group after the test. Furthermore, there was a significantly greater increase in the Wolf motor function test and a decrease in the modified Ashworth spasticity total scores in subjects who underwent whole-body vibration plus task-related training compared with those in the other 2 groups after the test. The findings indicate that the use of whole-body vibration training combined with task-related training has more benefits on the improvement of arm function, spasticity, and maximal grip strength than conventional upper limb training alone or with whole-body vibration in people with poststroke hemiplegia.

  20. Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

    Science.gov (United States)

    Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

    2013-08-14

    Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

  1. Accuracy of three-body wave functions obtained with the correlation-function hyperspherical-harmonic method

    International Nuclear Information System (INIS)

    Haftel, M.I.; Mandelzweig, V.B.

    1990-01-01

    The local convergence and accuracy of wave functions obtained by direct solution of the Schroedinger equation with the help of the correlation-function hyperspherical-harmonic method are analyzed for ground and excited states of the helium atom and for the ground state of the positronium negative ion. The inclusion of the cusp conditions into the correlation function is shown to be of crucial importance, not only near the coalescence points, but also away from them. The proper inclusion of all cusps yields for the ground state of the helium atom the local wave-function accuracy of about 10 -7 for different interparticle distances. The omission of one of the cusps in the excited helium atom reduces the wave-function precision to 10 -2 near the corresponding coalescence point and to 10 -4 --10 -5 away from it

  2. Correlation of 68Ga Ventilation-Perfusion PET/CT with Pulmonary Function Test Indices for Assessing Lung Function.

    Science.gov (United States)

    Le Roux, Pierre-Yves; Siva, Shankar; Steinfort, Daniel P; Callahan, Jason; Eu, Peter; Irving, Lou B; Hicks, Rodney J; Hofman, Michael S

    2015-11-01

    Pulmonary function tests (PFTs) are routinely used to assess lung function, but they do not provide information about regional pulmonary dysfunction. We aimed to assess correlation of quantitative ventilation-perfusion (V/Q) PET/CT with PFT indices. Thirty patients underwent V/Q PET/CT and PFT. Respiration-gated images were acquired after inhalation of (68)Ga-carbon nanoparticles and administration of (68)Ga-macroaggregated albumin. Functional volumes were calculated by dividing the volume of normal ventilated and perfused (%NVQ), unmatched and matched defects by the total lung volume. These functional volumes were correlated with forced expiratory volume in 1 s (FEV1), forced vital capacity (FVC), FEV1/FVC, and diffusing capacity for carbon monoxide (DLCO). All functional volumes were significantly different in patients with chronic obstructive pulmonary disease (P volume of unmatched defects (r = -0.55). Considering %NVQ only, a cutoff value of 90% correctly categorized 28 of 30 patients with or without significant pulmonary function impairment. Our study demonstrates strong correlations between V/Q PET/CT functional volumes and PFT parameters. Because V/Q PET/CT is able to assess regional lung function, these data support the feasibility of its use in radiation therapy and preoperative planning and assessing pulmonary dysfunction in a variety of respiratory diseases. © 2015 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

  3. Adaptive endpoint detection of seismic signal based on auto-correlated function

    International Nuclear Information System (INIS)

    Fan Wanchun; Shi Ren

    2001-01-01

    Based on the analysis of auto-correlation function, the notion of the distance between auto-correlation function was quoted, and the characterization of the noise and the signal with noise were discussed by using the distance. Then, the method of auto- adaptable endpoint detection of seismic signal based on auto-correlated similarity was summed up. The steps of implementation and determining of the thresholds were presented in detail. The experimental results that were compared with the methods based on artificial detecting show that this method has higher sensitivity even in a low signal with noise ratio circumstance

  4. Correlation Function Approach for Estimating Thermal Conductivity in Highly Porous Fibrous Materials

    Science.gov (United States)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    Heat transport in highly porous fiber networks is analyzed via two-point correlation functions. Fibers are assumed to be long and thin to allow a large number of crossing points per fiber. The network is characterized by three parameters: the fiber aspect ratio, the porosity and the anisotropy of the structure. We show that the effective thermal conductivity of the system can be estimated from knowledge of the porosity and the correlation lengths of the correlation functions obtained from a fiber structure image. As an application, the effects of the fiber aspect ratio and the network anisotropy on the thermal conductivity is studied.

  5. Correlation functions of the Ising model and the eight-vertex model

    International Nuclear Information System (INIS)

    Ko, L.F.

    1986-01-01

    Calculations for the two-point correlation functions in the scaling limit for two statistical models are presented. In Part I, the Ising model with a linear defect is studied for T T/sub c/. The transfer matrix method of Onsager and Kaufman is used. The energy-density correlation is given by functions related to the modified Bessel functions. The dispersion expansion for the spin-spin correlation functions are derived. The dominant behavior for large separations at T not equal to T/sub c/ is extracted. It is shown that these expansions lead to systems of Fredholm integral equations. In Part II, the electric correlation function of the eight-vertex model for T < T/sub c/ is studied. The eight vertex model decouples to two independent Ising models when the four spin coupling vanishes. To first order in the four-spin coupling, the electric correlation function is related to a three-point function of the Ising model. This relation is systematically investigated and the full dispersion expansion (to first order in four-spin coupling) is obtained. The results is a new kind of structure which, unlike those of many solvable models, is apparently not expressible in terms of linear integral equations

  6. Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

    Science.gov (United States)

    Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

    2018-04-01

    The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

  7. Imaging the square of the correlated two-electron wave function of a hydrogen molecule.

    Science.gov (United States)

    Waitz, M; Bello, R Y; Metz, D; Lower, J; Trinter, F; Schober, C; Keiling, M; Lenz, U; Pitzer, M; Mertens, K; Martins, M; Viefhaus, J; Klumpp, S; Weber, T; Schmidt, L Ph H; Williams, J B; Schöffler, M S; Serov, V V; Kheifets, A S; Argenti, L; Palacios, A; Martín, F; Jahnke, T; Dörner, R

    2017-12-22

    The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H 2 two-electron wave function in which electron-electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources.

  8. S-pairing in neutron matter: I. Correlated basis function theory

    International Nuclear Information System (INIS)

    Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.

    2008-01-01

    S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions

  9. Decay of Complex-Time Determinantal and Pfaffian Correlation Functionals in Lattices

    Science.gov (United States)

    Aza, N. J. B.; Bru, J.-B.; de Siqueira Pedra, W.

    2018-06-01

    We supplement the determinantal and Pfaffian bounds of Sims and Warzel (Commun Math Phys 347:903-931, 2016) for many-body localization of quasi-free fermions, by considering the high dimensional case and complex-time correlations. Our proof uses the analyticity of correlation functions via the Hadamard three-line theorem. We show that the dynamical localization for the one-particle system yields the dynamical localization for the many-point fermionic correlation functions, with respect to the Hausdorff distance in the determinantal case. In Sims and Warzel (2016), a stronger notion of decay for many-particle configurations was used but only at dimension one and for real times. Considering determinantal and Pfaffian correlation functionals for complex times is important in the study of weakly interacting fermions.

  10. Decay of Complex-Time Determinantal and Pfaffian Correlation Functionals in Lattices

    Science.gov (United States)

    Aza, N. J. B.; Bru, J.-B.; de Siqueira Pedra, W.

    2018-04-01

    We supplement the determinantal and Pfaffian bounds of Sims and Warzel (Commun Math Phys 347:903-931, 2016) for many-body localization of quasi-free fermions, by considering the high dimensional case and complex-time correlations. Our proof uses the analyticity of correlation functions via the Hadamard three-line theorem. We show that the dynamical localization for the one-particle system yields the dynamical localization for the many-point fermionic correlation functions, with respect to the Hausdorff distance in the determinantal case. In Sims and Warzel (2016), a stronger notion of decay for many-particle configurations was used but only at dimension one and for real times. Considering determinantal and Pfaffian correlation functionals for complex times is important in the study of weakly interacting fermions.

  11. Closed-Form Representations of the Density Function and Integer Moments of the Sample Correlation Coefficient

    Directory of Open Access Journals (Sweden)

    Serge B. Provost

    2015-07-01

    Full Text Available This paper provides a simplified representation of the exact density function of R, the sample correlation coefficient. The odd and even moments of R are also obtained in closed forms. Being expressed in terms of generalized hypergeometric functions, the resulting representations are readily computable. Some numerical examples corroborate the validity of the results derived herein.

  12. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    Science.gov (United States)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  13. WHOLE-BODY VIBRATION EXERCISE IMPROVES FUNCTIONAL PARAMETERS IN PATIENTS WITH OSTEOGENESIS IMPERFECTA: A SYSTEMATIC REVIEW WITH A SUITABLE APPROACH

    OpenAIRE

    S?-Caputo, Danubia C; Dionello, Carla da F; Frederico, ?ric Heleno F. F; Paineiras-Domingos, Laisa L; Sousa-Gon?alves, Cintia Renata; Morel, Danielle S; Moreira-Marconi, Elo?; Unger, Marianne; Bernardo-Filho, Mario

    2017-01-01

    Background: Patients with osteogenesis imperfecta (OI) have abnormal bone modelling and resorption. The bone tissue adaptation and responsivity to dynamic and mechanical loading may be of therapeutic use under controlled circumstances. Improvements due to the wholebody vibration (WBV) exercises have been reported in strength, motion, gait, balance, posture and bone density in several osteopenic individuals, as in post-menopausal women or children with disabling conditions, as patients with OI...

  14. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite media

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1980-01-01

    Results are found for the correlation dynamic functions (or the correspondent green functions) between any combination including pairs of electronic anel nuclear spin operators in an antiferromagnet semi-infinite media., at low temperature T N . These correlation functions, are used to investigate, at the same time, the properties of surface spin waves in volume and surface. The dispersion relatons of nuclear and electronic spin waves coupled modes, in surface are found, resolving a system of linearized equatons of spin operators a system of linearized equations of spin operators. (author) [pt

  15. Spectral density analysis of time correlation functions in lattice QCD using the maximum entropy method

    International Nuclear Information System (INIS)

    Fiebig, H. Rudolf

    2002-01-01

    We study various aspects of extracting spectral information from time correlation functions of lattice QCD by means of Bayesian inference with an entropic prior, the maximum entropy method (MEM). Correlator functions of a heavy-light meson-meson system serve as a repository for lattice data with diverse statistical quality. Attention is given to spectral mass density functions, inferred from the data, and their dependence on the parameters of the MEM. We propose to employ simulated annealing, or cooling, to solve the Bayesian inference problem, and discuss the practical issues of the approach

  16. Signed zeros of Gaussian vector fields - density, correlation functions and curvature

    CERN Document Server

    Foltin, G

    2003-01-01

    We calculate correlation functions of the (signed) density of zeros of Gaussian distributed vector fields. We are able to express correlation functions of arbitrary order through the curvature tensor of a certain abstract Riemann Cartan or Riemannian manifold. As an application, we discuss one- and two-point functions. The zeros of a two-dimensional Gaussian vector field model the distribution of topological defects in the high-temperature phase of two-dimensional systems with orientational degrees of freedom, such as superfluid films, thin superconductors and liquid crystals.

  17. Frequency and spatial correlation functions in a fading communication channel through the ionosphere

    International Nuclear Information System (INIS)

    Liu, C.H.; Yeh, K.C.

    1975-01-01

    Equations for the two-frequency two-position mutual coherence functions are derived under the usual parabolic and Markov approximations. These equations are then solved numerically. It is shown that the mutual coherence functions occur naturally in the study of pulse distortion through a random communication channel and in the investigation of signal correlations. Contour plots of correlation functions show the possibility of having equal values at two frequency separations for a given spatial separation. This behavior is explainable in terms of overlapping Fresnel zones

  18. Superaging correlation function and ergodicity breaking for Brownian motion in logarithmic potentials.

    Science.gov (United States)

    Dechant, A; Lutz, E; Kessler, D A; Barkai, E

    2012-05-01

    We consider an overdamped Brownian particle moving in a confining asymptotically logarithmic potential, which supports a normalized Boltzmann equilibrium density. We derive analytical expressions for the two-time correlation function and the fluctuations of the time-averaged position of the particle for large but finite times. We characterize the occurrence of aging and nonergodic behavior as a function of the depth of the potential, and we support our predictions with extensive Langevin simulations. While the Boltzmann measure is used to obtain stationary correlation functions, we show how the non-normalizable infinite covariant density is related to the superaging behavior.

  19. Analytical expressions for the correlation function of a hard sphere dimer fluid

    Science.gov (United States)

    Kim, Soonho; Chang, Jaeeon; Kim, Hwayong

    A closed form expression is given for the correlation function of a hard sphere dimer fluid. A set of integral equations is obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with Percus-Yevick approximation. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of the individual correlation functions are obtained. By the inverse Laplace transformation, the radial distribution function (RDF) is obtained in closed form out to 3D (D is the segment diameter). The analytical expression for the RDF of the hard dimer should be useful in developing the perturbation theory of dimer fluids.

  20. Analytical expression for the correlation function of a hard sphere chain fluid

    Science.gov (United States)

    Chang, Jaeeon; Kim, Hwayong

    A closed form expression is given for the correlation function of flexible hard sphere chain fluid. A set of integral equations obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with the polymer Percus-Yevick ideal chain approximation is considered. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of individual correlation functions are obtained. By inverse Laplace transformation the inter- and intramolecular radial distribution functions (RDFs) are obtained in closed forms up to 3D(D is segment diameter). These analytical expressions for the RDFs would be useful in developing the perturbation theory of chain fluids.

  1. Influence of the exchange and correlation functional on the structure of amorphous InSb and In{sub 3}SbTe{sub 2} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco, E-mail: marco.bernasconi@mater.unimib.it [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi 55, I-20125 Milano (Italy); Los, Jan H.; Kühne, Thomas D. [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany)

    2016-05-28

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In{sub 3}SbTe{sub 2} compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge{sub 2}Sb{sub 2}Te{sub 5} phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  2. Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques.

    Science.gov (United States)

    Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M; Prates, Luciana L; Yu, Peiqiang

    2017-08-05

    The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HED N/OM ), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Total and Direct Correlation Function Integrals from Molecular Simulation of Binary Systems

    DEFF Research Database (Denmark)

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

    2011-01-01

    The possibility for obtaining derivative properties for mixtures from integrals of spatial total and direct correlation functions obtained from molecular dynamics simulations is explored. Theoretically well-supported methods are examined to extend simulation radial distribution functions to long...... are consistent with an excess Helmholtz energy model fitted to available simulations. In addition, simulations of water/methanol and water/t-butanol mixtures have been carried out. The method yields results for partial molar volumes, activity coefficient derivatives, and individual correlation function integrals...... in reasonable agreement with smoothed experimental data. The proposed method for obtaining correlation function integrals is shown to perform at least as well as or better than two previously published approaches....

  4. Correlation between Retinopathy and Vibration Perception Threshold in Type 2 Diabetes Mellitus%2型糖尿病视网膜病变与震动感觉阈值的相关性分析

    Institute of Scientific and Technical Information of China (English)

    熊春霖

    2016-01-01

    目的:探讨2型糖尿病视网膜病变与震动感觉阈值的相关性。方法将135例2型糖尿病患者按眼科检查结果分为糖尿病背景期视网膜病变组(BDR,n =45)、增殖期视网膜病变组(PDR,n =45)以及无视网膜病变组(NDR,n=45),3组均采用震动感觉阈值检测仪检测周围神经的震动感觉阈值(VPT),采用眼震电图描记法检测前庭功能及动眼系统功能损害情况,对比分析3组生化指标、VPT 检测结果、前庭功能损害及动眼系统功能损害发生率。结果FINS、2 h INS、TC、TG、HDL-C 以及 LDL-C 3组间比较差异无统计学意义(P >0.05),BDP 组与PDR 组周围神经 VPT 均高于 NDP 组(P <0.05),且 PDR 组周围神经 VPT 均显著高于 BDP 组(P <0.05),BDP组与 PDR 组患者前庭功能损害发生率以及动眼系统功能损害发生率均高于 NDP 组(P <0.05),且 PDR 组上述VPT 均显著高于 BDP 组(P <0.05)。结论2型糖尿病视网膜病变与震动感觉阈值具有相关性,可作为2型糖尿病视网膜病变的重要筛查指标。%Objective To investigate the correlation between retinopathy and vibration percep-tion threshold(VPT)in patients with type 2 diabetes mellitus(T2DM).Methods According to the results of ophthalmologic examination,135 T2DM patients were divided into three groups:background diabetic retinopathy(BDR,n=45)group,proliferative diabetic retinopathy(PDR,n=45)group,and non-diabetic retinopathy(PDR,n=45)group.The vibration threshold of peripher-al nerve was measured using VPT.The ocular motion threshold was detected using electronystag-mography.The biochemical indexes,VPT test results,vestibular dysfunction and oculomotor function damage were compared among the three groups.Results There were no significant differences in the levels of fasting insulin,2-hour postprandial insulin,total cholesterol,triglycer-ides,high-density lipoprotein cholesterol and

  5. Biologic variability and correlation of platelet function testing in healthy dogs.

    Science.gov (United States)

    Blois, Shauna L; Lang, Sean T; Wood, R Darren; Monteith, Gabrielle

    2015-12-01

    Platelet function tests are influenced by biologic variability, including inter-individual (CVG ) and intra-individual (CVI ), as well as analytic (CVA ) variability. Variability in canine platelet function testing is unknown, but if excessive, would make it difficult to interpret serial results. Additionally, the correlation between platelet function tests is poor in people, but not well described in dogs. The aims were to: (1) identify the effect of variation in preanalytic factors (venipuncture, elapsed time until analysis) on platelet function tests; (2) calculate analytic and biologic variability of adenosine diphosphate (ADP) and arachidonic acid (AA)-induced thromboelastograph platelet mapping (TEG-PM), ADP-, AA-, and collagen-induced whole blood platelet aggregometry (WBA), and collagen/ADP and collagen/epinephrine platelet function analysis (PFA-CADP, PFA-CEPI); and (3) determine the correlation between these variables. In this prospective observational trial, platelet function was measured once every 7 days, for 4 consecutive weeks, in 9 healthy dogs. In addition, CBC, TEG-PM, WBA, and PFA were performed. Overall coefficients of variability ranged from 13.3% to 87.8% for the platelet function tests. Biologic variability was highest for AA-induced maximum amplitude generated during TEG-PM (MAAA; CVG = 95.3%, CVI = 60.8%). Use of population-based reference intervals (RI) was determined appropriate only for PFA-CADP (index of individuality = 10.7). There was poor correlation between most platelet function tests. Use of population-based RI appears inappropriate for most platelet function tests, and tests poorly correlate with one another. Future studies on biologic variability and correlation of platelet function tests should be performed in dogs with platelet dysfunction and those treated with antiplatelet therapy. © 2015 American Society for Veterinary Clinical Pathology.

  6. Pulmonary function tests correlated with thoracic volumes in adolescent idiopathic scoliosis.

    Science.gov (United States)

    Ledonio, Charles Gerald T; Rosenstein, Benjamin E; Johnston, Charles E; Regelmann, Warren E; Nuckley, David J; Polly, David W

    2017-01-01

    Scoliosis deformity has been linked with deleterious changes in the thoracic cavity that affect pulmonary function. The causal relationship between spinal deformity and pulmonary function has yet to be fully defined. It has been hypothesized that deformity correction improves pulmonary function by restoring both respiratory muscle efficiency and increasing the space available to the lungs. This research aims to correlate pulmonary function and thoracic volume before and after scoliosis correction. Retrospective correlational analysis between thoracic volume modeling from plain x-rays and pulmonary function tests was conducted. Adolescent idiopathic scoliosis patients enrolled in a multicenter database were sorted by pre-operative Total Lung Capacities (TLC) % predicted values from their Pulmonary Function Tests (PFT). Ten patients with the best and ten patients with the worst TLC values were included. Modeled thoracic volume and TLC values were compared before and 2 years after surgery. Scoliosis correction resulted in an increase in the thoracic volume for patients with the worst initial TLCs (11.7%) and those with the best initial TLCs (12.5%). The adolescents with the most severe pulmonary restriction prior to surgery strongly correlated with post-operative change in total lung capacity and thoracic volume (r 2  = 0.839; p volume in this group was 373.1 cm 3 (11.7%) which correlated with a 21.2% improvement in TLC. Scoliosis correction in adolescents was found to increase thoracic volume and is strongly correlated with improved TLC in cases with severe restrictive pulmonary function, but no correlation was found in cases with normal pulmonary function. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:175-182, 2017. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  7. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    The vibrating string problem is the source of much mathe- matics and physics. ... ing this science [mechanics],and the art of solving the problems pertaining to it, to .... used tools for finding maxima and minima of functions of several variables.

  8. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

  9. Emotional Availability Modulates Electrophysiological Correlates of Executive Functions in Preschool Children

    OpenAIRE

    Schneider-Hassloff, Henriette; Zw?nitzer, Annabel; K?nster, Anne K.; Mayer, Carmen; Ziegenhain, Ute; Kiefer, Markus

    2016-01-01

    Executive functions (EFs) – a set of cognitive control abilities – mediate resilience to stress and are associated with academic achievement and health throughout life. They are crucially linked to prefrontal cortex function as well as to other cortical and subcortical brain functions, which are maturing throughout childhood at different rates. Recent behavioral research suggested that children’s EFs were related to parenting quality and child attachment security, but the neural correlates of...

  10. Current-current correlation function in presence of chemical potential and external magnetic field

    International Nuclear Information System (INIS)

    Apresyan, E.A.

    2017-01-01

    The (2+1)-dimensional electron system was observed, where relation between the Green functions and conductivity was used. The current-current correlation function Π_μ_ν(B) for the fermion system was calculated in presence of non-quantizing magnetic field B, chemical potential η and gap m. From this function it is possible to obtain the equation for polarization operator calculated without the magnetic field. The result is also applicable for graphene

  11. Inter-species activity correlations reveal functional correspondences between monkey and human brain areas

    Science.gov (United States)

    Mantini, Dante; Hasson, Uri; Betti, Viviana; Perrucci, Mauro G.; Romani, Gian Luca; Corbetta, Maurizio; Orban, Guy A.; Vanduffel, Wim

    2012-01-01

    Evolution-driven functional changes in the primate brain are typically assessed by aligning monkey and human activation maps using cortical surface expansion models. These models use putative homologous areas as registration landmarks, assuming they are functionally correspondent. In cases where functional changes have occurred in an area, this assumption prohibits to reveal whether other areas may have assumed lost functions. Here we describe a method to examine functional correspondences across species. Without making spatial assumptions, we assess similarities in sensory-driven functional magnetic resonance imaging responses between monkey (Macaca mulatta) and human brain areas by means of temporal correlation. Using natural vision data, we reveal regions for which functional processing has shifted to topologically divergent locations during evolution. We conclude that substantial evolution-driven functional reorganizations have occurred, not always consistent with cortical expansion processes. This novel framework for evaluating changes in functional architecture is crucial to building more accurate evolutionary models. PMID:22306809

  12. Ground state hydrogen conformations and vibrational analysis of 1,2-dihdroxyanthraquinone (alizarin) molecule by AB initio Hartree-Fock and density functional theory calculations

    International Nuclear Information System (INIS)

    Delta, E.; Ucun, F.; Saglam, A.

    2010-01-01

    The ground state hydrogen conformations of 1,2-dihydroxyanthraquinone (alizarin) molecule have been investigated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d,p) basis set. The calculations indicate that the compound in the ground state exist with the doubly bonded O atom linked intra molecularly by the two hydrogen bonds. The vibrational analyses of the ground state conformation of the compound were also made and its optimized geometry parameters were given.

  13. Improvement of a new rotation function for molecular replacement by designing new scoring functions and dynamic correlation coefficient

    Science.gov (United States)

    Jiang, Fan; Ding, Wei

    2010-10-01

    A previously published new rotation function has been improved by using a dynamic correlation coefficient as well as two new scoring functions of relative entropy and mean-square-residues to make the rotation function more robust and independent of a specific set of weights for scoring and ranking. The previously described new rotation function calculates the rotation function of molecular replacement by matching the search model directly with the Patterson vector map. The signal-to-noise ratio for the correct match was increased by averaging all the matching peaks. Several matching scores were employed to evaluate the goodness of matching. These matching scores were then combined into a single total score by optimizing a set of weights using the linear regression method. It was found that there exists an optimal set of weights that can be applied to the global rotation search and the correct solution can be ranked in the top 100 or less. However, this set of optimal weights in general is dependent on the search models and the crystal structures with different space groups and cell parameters. In this work, we try to solve this problem by designing a dynamic correlation coefficient. It is shown that the dynamic correlation coefficient works for a variety of space groups and cell parameters in the global search of rotation function. We also introduce two new matching scores: relative entropy and mean-square-residues. Last but not least, we discussed a valid method for the optimization of the adjustable parameters for matching vectors.

  14. Correlations between Sportsmen’s Morpho-Functional Measurements and Voice Acoustic Variables

    Directory of Open Access Journals (Sweden)

    Rexhepi Agron M.

    2016-12-01

    Full Text Available Purpose. Since human voice characteristics are specific to each individual, numerous anthropological studies have been oriented to find significant relationships between voice and morpho-functional features. The goal of this study was to identify the correlation between seven morpho-functional variables and six voice acoustic parameters in sportsmen. Methods. Following the protocols of the International Biological Program, seven morpho-functional variables and six voice acoustic parameters have been measured in 88 male professional athletes from Kosovo, aged 17-35 years, during the period of April-October 2013. The statistical analysis was accomplished through the SPSS program, version 20. The obtained data were analysed through descriptive parameters and with Spearman’s method of correlation analysis. Results. Spearman’s method of correlation showed significant negative correlations (R = -0.215 to -0.613; p = 0.05 between three voice acoustic variables of the fundamental frequency of the voice sample (Mean, Minimum, and Maximum Pitch and six morpho-functional measures (Body Height, Body Weight, Margaria-Kalamen Power Test, Sargent Jump Test, Pull-up Test, and VO2max.abs. Conclusions. The significant correlations imply that the people with higher stature have longer vocal cords and a lower voice. These results encourage investigations on predicting sportsmen’s functional abilities on the basis of their voice acoustic parameters.

  15. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    Science.gov (United States)

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So

    2017-09-01

    A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.

  16. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    International Nuclear Information System (INIS)

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So

    2017-01-01

    Here, a new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss–Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm -1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.

  17. Tomographic elastography of contracting skeletal muscles from their natural vibrations

    Science.gov (United States)

    Sabra, Karim G.; Archer, Akibi

    2009-11-01

    Conventional elastography techniques require an external mechanical or radiation excitation to measure noninvasively the viscoelastic properties of skeletal muscles and thus monitor human motor functions. We developed instead a passive elastography technique using only an array of skin-mounted accelerometers to record the low-frequency vibrations of the biceps brachii muscle naturally generated during voluntary contractions and to determine their two-dimensional directionality. Cross-correlating these recordings provided travel-times measurements of these muscle vibrations between multiple sensor pairs. Travel-time tomographic inversions yielded spatial variations of their propagation velocity during isometric elbow flexions which indicated a nonuniform longitudinal stiffening of the biceps.

  18. 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

  19. СREATION OF CORRELATION FUNCTIONS OF LINEAR CONTINUOUS SYSTEMS BASED ON THEIR FUNDAMENTAL MATRICES

    Directory of Open Access Journals (Sweden)

    N. A. Vunder

    2015-11-01

    Full Text Available The paper presents a method of creating correlation matrices and functions of the state vectors and outputs of the linear continuous systems functioning under the conditions of stochastic stationary, in a broad sense, effects. Fundamental matrices form the basis of the method. We have shown that for the linear continuous systems with single dimensional input and single dimensional output the correlation output function of such system can be found as the free movement of this system generated by its initial state. This state is constructed from the variance matrix of the state vector and the transposed output matrix. We have elucidated that when a continuous system belongs to a class of multi-dimensional input – multi-dimensional output systems, the following options are available for solving the problem of creation of the correlation function of a linear system. The first option is to partition the system into separate channels. Then the approach developed for systems with onedimensional input and one-dimensional output is applied to each of the separate channels. The second option is used to preserve the vector nature of the stochastic external influence. It consists in partition of output vector to scalar components by separating output matrix into separate rows with subsequent formation of the correlation function according to the scheme for single dimensional input and single dimensional output type systems. The third option is based on the scalarization of matrix correlation output function by applying the singular value decomposition to it. That gives the possibility to form scalar majorant and minorant of correlation output functions. We have established that a key component of a computational procedure of creating the correlation function of continuous linear system is a variance matrix of the system state vector. In the case of functioning under an exogenous stochastic effect like "white noise" the variance matrix is calculated by

  20. Molecular vibrations the theory of infrared and Raman vibrational spectra

    CERN Document Server

    Wilson, E Bright; Cross, Paul C

    1980-01-01

    Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.