Prediction of conformationally dependent atomic multipole moments in carbohydrates

PubMed Central

Cardamone, Salvatore

2015-01-01

The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an “atom in a molecule,” thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol−1 for open chains and just over 90% an error of maximum 4 kJ mol−1 for rings. © 2015 Wiley Periodicals, Inc. PMID:26547500

Prediction of conformationally dependent atomic multipole moments in carbohydrates.

PubMed

Cardamone, Salvatore; Popelier, Paul L A

2015-12-15

The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings. © 2015 Wiley Periodicals, Inc.

Convergence of highly parallel stray field calculation using the fast multipole method on irregular meshes

NASA Astrophysics Data System (ADS)

Palmesi, P.; Abert, C.; Bruckner, F.; Suess, D.

2018-05-01

Fast stray field calculation is commonly considered of great importance for micromagnetic simulations, since it is the most time consuming part of the simulation. The Fast Multipole Method (FMM) has displayed linear O(N) parallelization behavior on many cores. This article investigates the error of a recent FMM approach approximating sources using linear—instead of constant—finite elements in the singular integral for calculating the stray field and the corresponding potential. After measuring performance in an earlier manuscript, this manuscript investigates the convergence of the relative L2 error for several FMM simulation parameters. Various scenarios either calculating the stray field directly or via potential are discussed.

Multipole vectors: A new representation of the CMB sky and evidence for statistical anisotropy or non-Gaussianity at 2⩽l⩽8

NASA Astrophysics Data System (ADS)

Copi, Craig J.; Huterer, Dragan; Starkman, Glenn D.

2004-08-01

We propose a novel representation of cosmic microwave anisotropy maps, where each multipole order l is represented by l unit vectors pointing in directions on the sky and an overall magnitude. These “multipole vectors and scalars” transform as vectors under rotations. Like the usual spherical harmonics, multipole vectors form an irreducible representation of the proper rotation group SO(3). However, they are related to the familiar spherical harmonic coefficients alm in a nonlinear way and are therefore sensitive to different aspects of the cosmic microwave background (CMB) anisotropy. Nevertheless, it is straightforward to determine the multipole vectors for a given CMB map and we present an algorithm to compute them. A code implementing this algorithm is available at http://www.phys.cwru.edu/projects/mpvectors/. Using the Wilkinson Microwave Anisotropy Probe (WMAP) full-sky maps, we perform several tests of the hypothesis that the CMB anisotropy is statistically isotropic and Gaussian random. We find that the result from comparing the oriented area of planes defined by these vectors between multipole pairs 2⩽l1≠l2⩽8 is inconsistent with the isotropic Gaussian hypothesis at the 99.4% level for the internal linear combination map and at 98.9% level for the cleaned map of Tegmark et al. A particular correlation is suggested between the l=3 and l=8 multipoles, as well as several other pairs. This effect is entirely different from the now familiar planarity and alignment of the quadrupole and octupole: while the aforementioned is fairly unlikely, the multipole vectors indicate correlations not expected in Gaussian random skies that make them unusually likely. The result persists after accounting for pixel noise and after assuming a residual 10% dust contamination in the cleaned WMAP map. While the definitive analysis of these results will require more work, we hope that multipole vectors will become a valuable tool for various cosmological tests, in particular those of cosmic isotropy.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aylor, K.; Hou, Z.; Knox, L.

The Planck cosmic microwave background temperature data are best fit with a Lambda CDM model that mildly contradicts constraints from other cosmological probes. The South Pole Telescope (SPT) 2540 deg(2) SPT-SZ survey offers measurements on sub-degree angular scales (multipoles 650 <= l <= 2500) with sufficient precision to use as an independent check of the Planck data. Here we build on the recent joint analysis of the SPT-SZ and Planck data in Hou et al. by comparing Lambda CDM parameter estimates using the temperature power spectrum from both data sets in the SPT-SZ survey region. We also restrict the multipolemore » range used in parameter fitting to focus on modes measured well by both SPT and Planck, thereby greatly reducing sample variance as a driver of parameter differences and creating a stringent test for systematic errors. We find no evidence of systematic errors from these tests. When we expand the maximum multipole of SPT data used, we see low-significance shifts in the angular scale of the sound horizon and the physical baryon and cold dark matter densities, with a resulting trend to higher Hubble constant. When we compare SPT and Planck data on the SPT-SZ sky patch to Planck full-sky data but keep the multipole range restricted, we find differences in the parameters n(s) and A(s)e(-2 tau). We perform further checks, investigating instrumental effects and modeling assumptions, and we find no evidence that the effects investigated are responsible for any of the parameter shifts. Taken together, these tests reveal no evidence for systematic errors in SPT or Planck data in the overlapping sky coverage and multipole range and at most weak evidence for a breakdown of Lambda CDM or systematic errors influencing either the Planck data outside the SPT-SZ survey area or the SPT data at l > 2000.« less

NSLS-II BPM System Protection from Rogue Mode Coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blednykh, A.; Bach, B.; Borrelli, A.

2011-03-28

Rogue mode RF shielding has been successfully designed and implemented into the production multipole vacuum chambers. In order to avoid systematic errors in the NSLS-II BPM system we introduced frequency shift of HOM's by using RF metal shielding located in the antechamber slot of each multipole vacuum chamber. To satisfy the pumping requirement the face of the shielding has been perforated with roughly 50 percent transparency. It stays clear of synchrotron radiation in each chamber.

The Atacama Cosmology Telescope: Calibration with the Wilkinson Microwave Anisotropy Probe Using Cross-Correlations

NASA Technical Reports Server (NTRS)

Hajian, Amir; Acquaviva, Viviana; Ade, Peter A. R.; Aguirre, Paula; Amiri, Mandana; Appel, John William; Barrientos, L. Felipe; Battistelli, Elia S.; Bond, John R.; Brown, Ben;

Analytic halo approach to the bispectrum of galaxies in redshift space

NASA Astrophysics Data System (ADS)

Yamamoto, Kazuhiro; Nan, Yue; Hikage, Chiaki

2017-02-01

We present an analytic formula for the galaxy bispectrum in redshift space on the basis of the halo approach description with the halo occupation distribution of central galaxies and satellite galaxies. This work is an extension of a previous work on the galaxy power spectrum, which illuminated the significant contribution of satellite galaxies to the higher multipole spectrum through the nonlinear redshift space distortions of their random motions. Behaviors of the multipoles of the bispectrum are compared with results of numerical simulations assuming a halo occupation distribution of the low-redshift (LOWZ) sample of the Sloan Digital Sky Survey (SDSS) III baryon oscillation spectroscopic survey (BOSS) survey. Also presented are analytic approximate formulas for the multipoles of the bispectrum, which is useful to understanding their characteristic properties. We demonstrate that the Fingers of God effect is quite important for the higher multipoles of the bispectrum in redshift space, depending on the halo occupation distribution parameters.

Accurate van der Waals coefficients from density functional theory

PubMed Central

Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

2012-01-01

The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

High-order multipole radiation from quantum Hall states in Dirac materials

NASA Astrophysics Data System (ADS)

Gullans, Michael J.; Taylor, Jacob M.; Imamoǧlu, Ataç; Ghaemi, Pouyan; Hafezi, Mohammad

2017-06-01

We investigate the optical response of strongly disordered quantum Hall states in two-dimensional Dirac materials and find qualitatively different effects in the radiation properties of the bulk versus the edge. We show that the far-field radiation from the edge is characterized by large multipole moments (>50 ) due to the efficient transfer of angular momentum from the electrons into the scattered light. The maximum multipole transition moment is a direct measure of the coherence length of the edge states. Accessing these multipole transitions would provide new tools for optical spectroscopy and control of quantum Hall edge states. On the other hand, the far-field radiation from the bulk appears as random dipole emission with spectral properties that vary with the local disorder potential. We determine the conditions under which this bulk radiation can be used to image the disorder landscape. Such optical measurements can probe submicron-length scales over large areas and provide complementary information to scanning probe techniques. Spatially resolving this bulk radiation would serve as a novel probe of the percolation transition near half filling.

The polarization observables T, P, and H and their impact on γp → pπ0 multipoles

NASA Astrophysics Data System (ADS)

Hartmann, J.; Dutz, H.; Anisovich, A. V.; Bayadilov, D.; Beck, R.; Becker, M.; Beloglazov, Y.; Berlin, A.; Bichow, M.; Böse, S.; Brinkmann, K.-Th.; Crede, V.; Dieterle, M.; Eberhardt, H.; Elsner, D.; Fornet-Ponse, K.; Friedrich, St.; Frommberger, F.; Funke, Ch.; Gottschall, M.; Gridnev, A.; Grüner, M.; Goertz, St.; Gutz, E.; Hammann, Ch.; Hannappel, J.; Hannen, V.; Herick, J.; Hillert, W.; Hoffmeister, Ph.; Honisch, Ch.; Jahn, O.; Jude, T.; Käser, A.; Kaiser, D.; Kalinowsky, H.; Kalischewski, F.; Klassen, P.; Keshelashvili, I.; Klein, F.; Klempt, E.; Koop, K.; Krusche, B.; Kube, M.; Lang, M.; Lopatin, I.; Makonyi, K.; Messi, F.; Metag, V.; Meyer, W.; Müller, J.; Nanova, M.; Nikonov, V.; Novinski, D.; Novotny, R.; Piontek, D.; Reeve, S.; Rosenbaum, Ch.; Roth, B.; Reicherz, G.; Rostomyan, T.; Runkel, St.; Sarantsev, A.; Schmidt, Ch.; Schmieden, H.; Schmitz, R.; Seifen, T.; Sokhoyan, V.; Thämer, Ph.; Thiel, A.; Thoma, U.; Urban, M.; van Pee, H.; Walther, D.; Wendel, Ch.; Wiedner, U.; Wilson, A.; Winnebeck, A.; Witthauer, L.

2015-09-01

Data on the polarization observables T, P, and H for the reaction γp → pπ0 are reported. Compared to earlier data from other experiments, our data are more precise and extend the covered range in energy and angle substantially. The results were extracted from azimuthal asymmetries measured using a transversely polarized target and linearly polarized photons. The data were taken at the Bonn electron stretcher accelerator ELSA with the CBELSA/TAPS detector. Within the Bonn-Gatchina partial wave analysis, the new polarization data lead to a significant narrowing of the error band for the multipoles for neutral-pion photoproduction.

Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations

NASA Astrophysics Data System (ADS)

Sagui, Celeste; Pedersen, Lee G.; Darden, Thomas A.

2004-01-01

The accurate simulation of biologically active macromolecules faces serious limitations that originate in the treatment of electrostatics in the empirical force fields. The current use of "partial charges" is a significant source of errors, since these vary widely with different conformations. By contrast, the molecular electrostatic potential (MEP) obtained through the use of a distributed multipole moment description, has been shown to converge to the quantum MEP outside the van der Waals surface, when higher order multipoles are used. However, in spite of the considerable improvement to the representation of the electronic cloud, higher order multipoles are not part of current classical biomolecular force fields due to the excessive computational cost. In this paper we present an efficient formalism for the treatment of higher order multipoles in Cartesian tensor formalism. The Ewald "direct sum" is evaluated through a McMurchie-Davidson formalism [L. McMurchie and E. Davidson, J. Comput. Phys. 26, 218 (1978)]. The "reciprocal sum" has been implemented in three different ways: using an Ewald scheme, a particle mesh Ewald (PME) method, and a multigrid-based approach. We find that even though the use of the McMurchie-Davidson formalism considerably reduces the cost of the calculation with respect to the standard matrix implementation of multipole interactions, the calculation in direct space remains expensive. When most of the calculation is moved to reciprocal space via the PME method, the cost of a calculation where all multipolar interactions (up to hexadecapole-hexadecapole) are included is only about 8.5 times more expensive than a regular AMBER 7 [D. A. Pearlman et al., Comput. Phys. Commun. 91, 1 (1995)] implementation with only charge-charge interactions. The multigrid implementation is slower but shows very promising results for parallelization. It provides a natural way to interface with continuous, Gaussian-based electrostatics in the future. It is hoped that this new formalism will facilitate the systematic implementation of higher order multipoles in classical biomolecular force fields.

Multipole ordering and collective excitations in the excitonic phase of Pr0.5Ca0.5CoO3

NASA Astrophysics Data System (ADS)

Yamaguchi, Tomoki; Sugimoto, Koudai; Ohta, Yukinori

2018-05-01

As an extension of our previous paper (Yamaguchi et al., 2017) [24], we study the carrier doping dependence of the excitonic condensation in Pr0.5Ca0.5CoO3 using the random-phase and mean-field approximations for the realistic five-orbital Hubbard model. We show that the spin-triplet excitonic phase with a magnetic multipole ordering is stable against the doping of carriers in a considerable range around Co3+ (or 3d6). We discuss experimental relevance of our results.

A broadband fast multipole accelerated boundary element method for the three dimensional Helmholtz equation.

PubMed

Gumerov, Nail A; Duraiswami, Ramani

2009-01-01

The development of a fast multipole method (FMM) accelerated iterative solution of the boundary element method (BEM) for the Helmholtz equations in three dimensions is described. The FMM for the Helmholtz equation is significantly different for problems with low and high kD (where k is the wavenumber and D the domain size), and for large problems the method must be switched between levels of the hierarchy. The BEM requires several approximate computations (numerical quadrature, approximations of the boundary shapes using elements), and these errors must be balanced against approximations introduced by the FMM and the convergence criterion for iterative solution. These different errors must all be chosen in a way that, on the one hand, excess work is not done and, on the other, that the error achieved by the overall computation is acceptable. Details of translation operators for low and high kD, choice of representations, and BEM quadrature schemes, all consistent with these approximations, are described. A novel preconditioner using a low accuracy FMM accelerated solver as a right preconditioner is also described. Results of the developed solvers for large boundary value problems with 0.0001 less, similarkD less, similar500 are presented and shown to perform close to theoretical expectations.

Description of CBETA magnet tuning wire holders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brooks, S.

2017-07-19

A non-­magnetic insert will be placed directly inside the permanent magnet blocks in every CBETA Halbach magnet in order to hold a set of iron “tuning wires”. These wires have various lengths around the perimeter of the aperture in order to cancel multipole field errors from the permanent magnet blocks.

Gaussian polarizable-ion tight binding.

PubMed

Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

2016-10-14

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Gaussian polarizable-ion tight binding

NASA Astrophysics Data System (ADS)

Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

2016-10-01

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Use of the ( e , e prime n ) reaction to study the giant multipole resonances in sup 116 Sn

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miskimen, R.A.; Ammons, E.A.; Arruda-Neto, J.D.T.

1991-04-01

The giant multipole resonances in {sup 116}Sn have been studied using the ({ital e},{ital e}{prime}{ital n}) reaction. Data were taken at effective momentum transfers of 0.37, 0.45, and 0.55 fm{sup {minus}1} and a multipole analysis of the data was performed. The inferred multipole strength functions identify the {ital E}2 and {ital E}0 resonances as distinct peaks at 12.2 and 17.9 MeV, respectively. The energy-weighted sum-rule strengths for the {ital E}2 and {ital E}0 resonances, obtained using a Lorentzian fit to the data, are 34{plus minus}13% and 93{plus minus}37%. When compared with results from alpha scattering and pion scattering the sum-rulemore » strengths exhibit approximate agreement, but the {ital E}0 strength identified in this measurement lies at higher excitation energy, consistent with the trend observed in heavier nuclei. The ({ital e},{ital e}{prime}{ital n}) data are compared with a continuum random phase approximation (RPA) calculation of the {ital E}2 and {ital E}0 strengths, and with an open-shell RPA calculation of the {ital E}2 strength. Both calculations disagree with the data in the region of the {ital E}2 resonance.« less

Multipole Algorithms for Molecular Dynamics Simulation on High Performance Computers.

NASA Astrophysics Data System (ADS)

Elliott, William Dewey

1995-01-01

A fundamental problem in modeling large molecular systems with molecular dynamics (MD) simulations is the underlying N-body problem of computing the interactions between all pairs of N atoms. The simplest algorithm to compute pair-wise atomic interactions scales in runtime {cal O}(N^2), making it impractical for interesting biomolecular systems, which can contain millions of atoms. Recently, several algorithms have become available that solve the N-body problem by computing the effects of all pair-wise interactions while scaling in runtime less than {cal O}(N^2). One algorithm, which scales {cal O}(N) for a uniform distribution of particles, is called the Greengard-Rokhlin Fast Multipole Algorithm (FMA). This work describes an FMA-like algorithm called the Molecular Dynamics Multipole Algorithm (MDMA). The algorithm contains several features that are new to N-body algorithms. MDMA uses new, efficient series expansion equations to compute general 1/r^{n } potentials to arbitrary accuracy. In particular, the 1/r Coulomb potential and the 1/r^6 portion of the Lennard-Jones potential are implemented. The new equations are based on multivariate Taylor series expansions. In addition, MDMA uses a cell-to-cell interaction region of cells that is closely tied to worst case error bounds. The worst case error bounds for MDMA are derived in this work also. These bounds apply to other multipole algorithms as well. Several implementation enhancements are described which apply to MDMA as well as other N-body algorithms such as FMA and tree codes. The mathematics of the cell -to-cell interactions are converted to the Fourier domain for reduced operation count and faster computation. A relative indexing scheme was devised to locate cells in the interaction region which allows efficient pre-computation of redundant information and prestorage of much of the cell-to-cell interaction. Also, MDMA was integrated into the MD program SIgMA to demonstrate the performance of the program over several simulation timesteps. One MD application described here highlights the utility of including long range contributions to Lennard-Jones potential in constant pressure simulations. Another application shows the time dependence of long range forces in a multiple time step MD simulation.

The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.

PubMed

Fukuda, Ikuo; Kamiya, Narutoshi; Nakamura, Haruki

2014-05-21

In the preceding paper [I. Fukuda, J. Chem. Phys. 139, 174107 (2013)], the zero-multipole (ZM) summation method was proposed for efficiently evaluating the electrostatic Coulombic interactions of a classical point charge system. The summation takes a simple pairwise form, but prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large energetic noises and significant artifacts. The purpose of this paper is to judge the ability of the ZM method by investigating the accuracy, parameter dependencies, and stability in applications to liquid systems. To conduct this, first, the energy-functional error was divided into three terms and each term was analyzed by a theoretical error-bound estimation. This estimation gave us a clear basis of the discussions on the numerical investigations. It also gave a new viewpoint between the excess energy error and the damping effect by the damping parameter. Second, with the aid of these analyses, the ZM method was evaluated based on molecular dynamics (MD) simulations of two fundamental liquid systems, a molten sodium-chlorine ion system and a pure water molecule system. In the ion system, the energy accuracy, compared with the Ewald summation, was better for a larger value of multipole moment l currently induced until l ≲ 3 on average. This accuracy improvement with increasing l is due to the enhancement of the excess-energy accuracy. However, this improvement is wholly effective in the total accuracy if the theoretical moment l is smaller than or equal to a system intrinsic moment L. The simulation results thus indicate L ∼ 3 in this system, and we observed less accuracy in l = 4. We demonstrated the origins of parameter dependencies appearing in the crossing behavior and the oscillations of the energy error curves. With raising the moment l we observed, smaller values of the damping parameter provided more accurate results and smoother behaviors with respect to cutoff length were obtained. These features can be explained, on the basis of the theoretical error analyses, such that the excess energy accuracy is improved with increasing l and that the total accuracy improvement within l ⩽ L is facilitated by a small damping parameter. Although the accuracy was fundamentally similar to the ion system, the bulk water system exhibited distinguishable quantitative behaviors. A smaller damping parameter was effective in all the practical cutoff distance, and this fact can be interpreted by the reduction of the excess subset. A lower moment was advantageous in the energy accuracy, where l = 1 was slightly superior to l = 2 in this system. However, the method with l = 2 (viz., the zero-quadrupole sum) gave accurate results for the radial distribution function. We confirmed the stability in the numerical integration for MD simulations employing the ZM scheme. This result is supported by the sufficient smoothness of the energy function. Along with the smoothness, the pairwise feature and the allowance of the atom-based cutoff mode on the energy formula lead to the exact zero total-force, ensuring the total-momentum conservations for typical MD equations of motion.

The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: Analysis of the accuracy and application to liquid systems

NASA Astrophysics Data System (ADS)

Fukuda, Ikuo; Kamiya, Narutoshi; Nakamura, Haruki

2014-05-01

In the preceding paper [I. Fukuda, J. Chem. Phys. 139, 174107 (2013)], the zero-multipole (ZM) summation method was proposed for efficiently evaluating the electrostatic Coulombic interactions of a classical point charge system. The summation takes a simple pairwise form, but prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large energetic noises and significant artifacts. The purpose of this paper is to judge the ability of the ZM method by investigating the accuracy, parameter dependencies, and stability in applications to liquid systems. To conduct this, first, the energy-functional error was divided into three terms and each term was analyzed by a theoretical error-bound estimation. This estimation gave us a clear basis of the discussions on the numerical investigations. It also gave a new viewpoint between the excess energy error and the damping effect by the damping parameter. Second, with the aid of these analyses, the ZM method was evaluated based on molecular dynamics (MD) simulations of two fundamental liquid systems, a molten sodium-chlorine ion system and a pure water molecule system. In the ion system, the energy accuracy, compared with the Ewald summation, was better for a larger value of multipole moment l currently induced until l ≲ 3 on average. This accuracy improvement with increasing l is due to the enhancement of the excess-energy accuracy. However, this improvement is wholly effective in the total accuracy if the theoretical moment l is smaller than or equal to a system intrinsic moment L. The simulation results thus indicate L ˜ 3 in this system, and we observed less accuracy in l = 4. We demonstrated the origins of parameter dependencies appearing in the crossing behavior and the oscillations of the energy error curves. With raising the moment l we observed, smaller values of the damping parameter provided more accurate results and smoother behaviors with respect to cutoff length were obtained. These features can be explained, on the basis of the theoretical error analyses, such that the excess energy accuracy is improved with increasing l and that the total accuracy improvement within l ⩽ L is facilitated by a small damping parameter. Although the accuracy was fundamentally similar to the ion system, the bulk water system exhibited distinguishable quantitative behaviors. A smaller damping parameter was effective in all the practical cutoff distance, and this fact can be interpreted by the reduction of the excess subset. A lower moment was advantageous in the energy accuracy, where l = 1 was slightly superior to l = 2 in this system. However, the method with l = 2 (viz., the zero-quadrupole sum) gave accurate results for the radial distribution function. We confirmed the stability in the numerical integration for MD simulations employing the ZM scheme. This result is supported by the sufficient smoothness of the energy function. Along with the smoothness, the pairwise feature and the allowance of the atom-based cutoff mode on the energy formula lead to the exact zero total-force, ensuring the total-momentum conservations for typical MD equations of motion.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

An optimal FFT-based anisotropic power spectrum estimator

NASA Astrophysics Data System (ADS)

Hand, Nick; Li, Yin; Slepian, Zachary; Seljak, Uroš

2017-07-01

Measurements of line-of-sight dependent clustering via the galaxy power spectrum's multipole moments constitute a powerful tool for testing theoretical models in large-scale structure. Recent work shows that this measurement, including a moving line-of-sight, can be accelerated using Fast Fourier Transforms (FFTs) by decomposing the Legendre polynomials into products of Cartesian vectors. Here, we present a faster, optimal means of using FFTs for this measurement. We avoid redundancy present in the Cartesian decomposition by using a spherical harmonic decomposition of the Legendre polynomials. With this method, a given multipole of order l requires only 2l+1 FFTs rather than the (l+1)(l+2)/2 FFTs of the Cartesian approach. For the hexadecapole (l = 4), this translates to 40% fewer FFTs, with increased savings for higher l. The reduction in wall-clock time enables the calculation of finely-binned wedges in P(k,μ), obtained by computing multipoles up to a large lmax and combining them. This transformation has a number of advantages. We demonstrate that by using non-uniform bins in μ, we can isolate plane-of-sky (angular) systematics to a narrow bin at 0μ simeq while eliminating the contamination from all other bins. We also show that the covariance matrix of clustering wedges binned uniformly in μ becomes ill-conditioned when combining multipoles up to large values of lmax, but that the problem can be avoided with non-uniform binning. As an example, we present results using lmax=16, for which our procedure requires a factor of 3.4 fewer FFTs than the Cartesian method, while removing the first μ bin leads only to a 7% increase in statistical error on f σ8, as compared to a 54% increase with lmax=4.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hand, Nick; Seljak, Uroš; Li, Yin

Measurements of line-of-sight dependent clustering via the galaxy power spectrum's multipole moments constitute a powerful tool for testing theoretical models in large-scale structure. Recent work shows that this measurement, including a moving line-of-sight, can be accelerated using Fast Fourier Transforms (FFTs) by decomposing the Legendre polynomials into products of Cartesian vectors. Here, we present a faster, optimal means of using FFTs for this measurement. We avoid redundancy present in the Cartesian decomposition by using a spherical harmonic decomposition of the Legendre polynomials. With this method, a given multipole of order ℓ requires only 2ℓ+1 FFTs rather than the (ℓ+1)(ℓ+2)/2 FFTsmore » of the Cartesian approach. For the hexadecapole (ℓ = 4), this translates to 40% fewer FFTs, with increased savings for higher ℓ. The reduction in wall-clock time enables the calculation of finely-binned wedges in P ( k ,μ), obtained by computing multipoles up to a large ℓ{sub max} and combining them. This transformation has a number of advantages. We demonstrate that by using non-uniform bins in μ, we can isolate plane-of-sky (angular) systematics to a narrow bin at 0μ ≅ while eliminating the contamination from all other bins. We also show that the covariance matrix of clustering wedges binned uniformly in μ becomes ill-conditioned when combining multipoles up to large values of ℓ{sub max}, but that the problem can be avoided with non-uniform binning. As an example, we present results using ℓ{sub max}=16, for which our procedure requires a factor of 3.4 fewer FFTs than the Cartesian method, while removing the first μ bin leads only to a 7% increase in statistical error on f σ{sub 8}, as compared to a 54% increase with ℓ{sub max}=4.« less

Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models

PubMed Central

Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.

2010-01-01

In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise due to 1) the transfer of torque between neighboring atoms, and 2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry-dependent multipole models. In the current study, atomic force expressions for geometry-dependent multipoles are presented for use in simulations of flexible molecules. The atomic forces are derived by first proposing a new general expression for Wigner function derivatives ∂Dlm′m/∂Ω. The force equations can be applied to electrostatic models based on atomic point multipoles or Gaussian multipole charge density. Hydrogen bonded dimers are used to test the inter-molecular electrostatic energies and atomic forces calculated by geometry-dependent multipoles fit to the ab initio electrostatic potential (ESP). The electrostatic energies and forces are compared to their reference ab initio values. It is shown that both static and geometry-dependent multipole models are able to reproduce total molecular forces and torques with respect to ab initio, while geometry-dependent multipoles are needed to reproduce ab initio atomic forces. The expressions for atomic force can be used in simulations of flexible molecules with atomic multipoles. In addition, the results presented in this work should lead to further development of next generation force fields composed of geometry-dependent multipole models. PMID:20839297

Corrigendum: The creation, destruction, and transfer of multipole moments in electron- and proton-impact ionization of atoms and ions (2013 J. Phys. B: At. Mol. Opt. Phys. 46 245202)

DOE PAGES

Csanak, George; Inal, Mokhtar K; Fontes, Christopher John; ...

2015-04-15

The present corrigendum is dedicated to correcting unfortunate errors made in certain equations of our paper [1]. We should first stress the point that those errors have no serious consequences on the main results of the paper and most derived equations remain valid. This is a follow-up to the first corrigendum which was reported in reference [2] to correct errors of a similar nature in another previously reported work [3]. The source of all those errors resides in the treatment of charged-particle scattering and the subtle manipulations made to obtain some of the equations in both references [1, 3]. Allmore » equation numbers cited here correspond to those of [1] unless specified otherwise.« less

Alignments of parity even/odd-only multipoles in CMB

NASA Astrophysics Data System (ADS)

Aluri, Pavan K.; Ralston, John P.; Weltman, Amanda

2017-12-01

We compare the statistics of parity even and odd multipoles of the cosmic microwave background (CMB) sky from Planck full mission temperature measurements. An excess power in odd multipoles compared to even multipoles has previously been found on large angular scales. Motivated by this apparent parity asymmetry, we evaluate directional statistics associated with even compared to odd multipoles, along with their significances. Primary tools are the Power tensor and Alignment tensor statistics. We limit our analysis to the first 60 multipoles i.e. l = [2, 61]. We find no evidence for statistically unusual alignments of even parity multipoles. More than one independent statistic finds evidence for alignments of anisotropy axes of odd multipoles, with a significance equivalent to ∼2σ or more. The robustness of alignment axes is tested by making Galactic cuts and varying the multipole range. Very interestingly, the region spanned by the (a)symmetry axes is found to broadly contain other parity (a)symmetry axes previously observed in the literature.

Recoil polarization measurements for neutral pion electroproduction at Q2=1(GeV/c)2 near the Δ resonance

NASA Astrophysics Data System (ADS)

Kelly, J. J.; Gayou, O.; Roché, R. E.; Chai, Z.; Jones, M. K.; Sarty, A. J.; Frullani, S.; Aniol, K.; Beise, E. J.; Benmokhtar, F.; Bertozzi, W.; Boeglin, W. U.; Botto, T.; Brash, E. J.; Breuer, H.; Brown, E.; Burtin, E.; Calarco, J. R.; Cavata, C.; Chang, C. C.; Chant, N. S.; Chen, J.-P.; Coman, M.; Crovelli, D.; Leo, R. De; Dieterich, S.; Escoffier, S.; Fissum, K. G.; Garde, V.; Garibaldi, F.; Georgakopoulos, S.; Gilad, S.; Gilman, R.; Glashausser, C.; Hansen, J.-O.; Higinbotham, D. W.; Hotta, A.; Huber, G. M.; Ibrahim, H.; Iodice, M.; Jager, C. W. De; Jiang, X.; Klimenko, A.; Kozlov, A.; Kumbartzki, G.; Kuss, M.; Lagamba, L.; Laveissière, G.; Lerose, J. J.; Lindgren, R. A.; Liyange, N.; Lolos, G. J.; Lourie, R. W.; Margaziotis, D. J.; Marie, F.; Markowitz, P.; McAleer, S.; Meekins, D.; Michaels, R.; Milbrath, B. D.; Mitchell, J.; Nappa, J.; Neyret, D.; Perdrisat, C. F.; Potokar, M.; Punjabi, V. A.; Pussieux, T.; Ransome, R. D.; Roos, P. G.; Rvachev, M.; Saha, A.; Širca, S.; Suleiman, R.; Strauch, S.; Templon, J. A.; Todor, L.; Ulmer, P. E.; Urciuoli, G. M.; Weinstein, L. B.; Wijsooriya, K.; Wojtsekhowski, B.; Zheng, X.; Zhu, L.

2007-02-01

We measured angular distributions of differential cross section, beam analyzing power, and recoil polarization for neutral pion electroproduction at Q2=1.0(GeV/c)2 in 10 bins of 1.17⩽W⩽1.35 GeV across the Δ resonance. A total of 16 independent response functions were extracted, of which 12 were observed for the first time. Comparisons with recent model calculations show that response functions governed by real parts of interference products are determined relatively well near the physical mass, W=MΔ≈1.232 GeV, but the variation among models is large for response functions governed by imaginary parts, and for both types of response functions, the variation increases rapidly with W>MΔ. We performed a multipole analysis that adjusts suitable subsets of ℓπ⩽2 amplitudes with higher partial waves constrained by baseline models. This analysis provides both real and imaginary parts. The fitted multipole amplitudes are nearly model independent—there is very little sensitivity to the choice of baseline model or truncation scheme. By contrast, truncation errors in the traditional Legendre analysis of N→Δ quadrupole ratios are not negligible. Parabolic fits to the W dependence around MΔ for the multiple analysis gives values for Re(S1+/M1+)=(-6.61±0.18)% and Re(E1+/M1+)=(-2.87±0.19)% for the pπ0 channel at W=1.232 GeV and Q2=1.0(GeV/c)2 that are distinctly larger than those from the Legendre analysis of the same data. Similarly, the multipole analysis gives Re(S0+/M1+)=(+7.1±0.8)% at W=1.232 GeV, consistent with recent models, while the traditional Legendre analysis gives the opposite sign because its truncation errors are quite severe.

Planck 2015 results: XI. CMB power spectra, likelihoods, and robustness of parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aghanim, N.; Arnaud, M.; Ashdown, M.

This study presents the Planck 2015 likelihoods, statistical descriptions of the 2-point correlationfunctions of the cosmic microwave background (CMB) temperature and polarization fluctuations that account for relevant uncertainties, both instrumental and astrophysical in nature. They are based on the same hybrid approach used for the previous release, i.e., a pixel-based likelihood at low multipoles (ℓ< 30) and a Gaussian approximation to the distribution of cross-power spectra at higher multipoles. The main improvements are the use of more and better processed data and of Planck polarization information, along with more detailed models of foregrounds and instrumental uncertainties. The increased redundancy broughtmore » by more than doubling the amount of data analysed enables further consistency checks and enhanced immunity to systematic effects. It also improves the constraining power of Planck, in particular with regard to small-scale foreground properties. Progress in the modelling of foreground emission enables the retention of a larger fraction of the sky to determine the properties of the CMB, which also contributes to the enhanced precision of the spectra. Improvements in data processing and instrumental modelling further reduce uncertainties. Extensive tests establish the robustness and accuracy of the likelihood results, from temperature alone, from polarization alone, and from their combination. For temperature, we also perform a full likelihood analysis of realistic end-to-end simulations of the instrumental response to the sky, which were fed into the actual data processing pipeline; this does not reveal biases from residual low-level instrumental systematics. Even with the increase in precision and robustness, the ΛCDM cosmological model continues to offer a very good fit to the Planck data. The slope of the primordial scalar fluctuations, n s, is confirmed smaller than unity at more than 5σ from Planck alone. We further validate the robustness of the likelihood results against specific extensions to the baseline cosmology, which are particularly sensitive to data at high multipoles. For instance, the effective number of neutrino species remains compatible with the canonical value of 3.046. For this first detailed analysis of Planck polarization spectra, we concentrate at high multipoles on the E modes, leaving the analysis of the weaker B modes to future work. At low multipoles we use temperature maps at all Planck frequencies along with a subset of polarization data. These data take advantage of Planck’s wide frequency coverage to improve the separation of CMB and foreground emission. Within the baseline ΛCDM cosmology this requires τ = 0.078 ± 0.019 for the reionization optical depth, which is significantly lower than estimates without the use of high-frequency data for explicit monitoring of dust emission. At high multipoles we detect residual systematic errors in E polarization, typically at the μK 2 level; we therefore choose to retain temperature information alone for high multipoles as the recommended baseline, in particular for testing non-minimal models. Finally and nevertheless, the high-multipole polarization spectra from Planck are already good enough to enable a separate high-precision determination of the parameters of the ΛCDM model, showing consistency with those established independently from temperature information alone.« less

Planck 2015 results. XI. CMB power spectra, likelihoods, and robustness of parameters

NASA Astrophysics Data System (ADS)

Planck Collaboration; Aghanim, N.; Arnaud, M.; Ashdown, M.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Bartolo, N.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bock, J. J.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bucher, M.; Burigana, C.; Butler, R. C.; Calabrese, E.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chiang, H. C.; Christensen, P. R.; Clements, D. L.; Colombo, L. P. L.; Combet, C.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Désert, F.-X.; Di Valentino, E.; Dickinson, C.; Diego, J. M.; Dolag, K.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Ducout, A.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Fergusson, J.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Frejsel, A.; Galeotta, S.; Galli, S.; Ganga, K.; Gauthier, C.; Gerbino, M.; Giard, M.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Hamann, J.; Hansen, F. K.; Harrison, D. L.; Helou, G.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Holmes, W. A.; Hornstrup, A.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kiiveri, K.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lähteenmäki, A.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Lawrence, C. R.; Le Jeune, M.; Leonardi, R.; Lesgourgues, J.; Levrier, F.; Lewis, A.; Liguori, M.; Lilje, P. B.; Lilley, M.; Linden-Vørnle, M.; Lindholm, V.; López-Caniego, M.; Macías-Pérez, J. F.; Maffei, B.; Maggio, G.; Maino, D.; Mandolesi, N.; Mangilli, A.; Maris, M.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Meinhold, P. R.; Melchiorri, A.; Migliaccio, M.; Millea, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Mottet, S.; Munshi, D.; Murphy, J. A.; Narimani, A.; Naselsky, P.; Nati, F.; Natoli, P.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Pratt, G. W.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reinecke, M.; Remazeilles, M.; Renault, C.; Renzi, A.; Ristorcelli, I.; Rocha, G.; Rossetti, M.; Roudier, G.; Rouillé d'Orfeuil, B.; Rubiño-Martín, J. A.; Rusholme, B.; Salvati, L.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Serra, P.; Spencer, L. D.; Spinelli, M.; Stolyarov, V.; Stompor, R.; Sunyaev, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Trombetti, T.; Tucci, M.; Tuovinen, J.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, F.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Wehus, I. K.; Yvon, D.; Zacchei, A.; Zonca, A.

2016-09-01

This paper presents the Planck 2015 likelihoods, statistical descriptions of the 2-point correlationfunctions of the cosmic microwave background (CMB) temperature and polarization fluctuations that account for relevant uncertainties, both instrumental and astrophysical in nature. They are based on the same hybrid approach used for the previous release, I.e., a pixel-based likelihood at low multipoles (ℓ< 30) and a Gaussian approximation to the distribution of cross-power spectra at higher multipoles. The main improvements are the use of more and better processed data and of Planck polarization information, along with more detailed models of foregrounds and instrumental uncertainties. The increased redundancy brought by more than doubling the amount of data analysed enables further consistency checks and enhanced immunity to systematic effects. It also improves the constraining power of Planck, in particular with regard to small-scale foreground properties. Progress in the modelling of foreground emission enables the retention of a larger fraction of the sky to determine the properties of the CMB, which also contributes to the enhanced precision of the spectra. Improvements in data processing and instrumental modelling further reduce uncertainties. Extensive tests establish the robustness and accuracy of the likelihood results, from temperature alone, from polarization alone, and from their combination. For temperature, we also perform a full likelihood analysis of realistic end-to-end simulations of the instrumental response to the sky, which were fed into the actual data processing pipeline; this does not reveal biases from residual low-level instrumental systematics. Even with the increase in precision and robustness, the ΛCDM cosmological model continues to offer a very good fit to the Planck data. The slope of the primordial scalar fluctuations, ns, is confirmed smaller than unity at more than 5σ from Planck alone. We further validate the robustness of the likelihood results against specific extensions to the baseline cosmology, which are particularly sensitive to data at high multipoles. For instance, the effective number of neutrino species remains compatible with the canonical value of 3.046. For this first detailed analysis of Planck polarization spectra, we concentrate at high multipoles on the E modes, leaving the analysis of the weaker B modes to future work. At low multipoles we use temperature maps at all Planck frequencies along with a subset of polarization data. These data take advantage of Planck's wide frequency coverage to improve the separation of CMB and foreground emission. Within the baseline ΛCDM cosmology this requires τ = 0.078 ± 0.019 for the reionization optical depth, which is significantly lower than estimates without the use of high-frequency data for explicit monitoring of dust emission. At high multipoles we detect residual systematic errors in E polarization, typically at the μK2 level; we therefore choose to retain temperature information alone for high multipoles as the recommended baseline, in particular for testing non-minimal models. Nevertheless, the high-multipole polarization spectra from Planck are already good enough to enable a separate high-precision determination of the parameters of the ΛCDM model, showing consistency with those established independently from temperature information alone.

Planck 2015 results: XI. CMB power spectra, likelihoods, and robustness of parameters

DOE PAGES

Aghanim, N.; Arnaud, M.; Ashdown, M.; ...

2016-09-20

This study presents the Planck 2015 likelihoods, statistical descriptions of the 2-point correlationfunctions of the cosmic microwave background (CMB) temperature and polarization fluctuations that account for relevant uncertainties, both instrumental and astrophysical in nature. They are based on the same hybrid approach used for the previous release, i.e., a pixel-based likelihood at low multipoles (ℓ< 30) and a Gaussian approximation to the distribution of cross-power spectra at higher multipoles. The main improvements are the use of more and better processed data and of Planck polarization information, along with more detailed models of foregrounds and instrumental uncertainties. The increased redundancy broughtmore » by more than doubling the amount of data analysed enables further consistency checks and enhanced immunity to systematic effects. It also improves the constraining power of Planck, in particular with regard to small-scale foreground properties. Progress in the modelling of foreground emission enables the retention of a larger fraction of the sky to determine the properties of the CMB, which also contributes to the enhanced precision of the spectra. Improvements in data processing and instrumental modelling further reduce uncertainties. Extensive tests establish the robustness and accuracy of the likelihood results, from temperature alone, from polarization alone, and from their combination. For temperature, we also perform a full likelihood analysis of realistic end-to-end simulations of the instrumental response to the sky, which were fed into the actual data processing pipeline; this does not reveal biases from residual low-level instrumental systematics. Even with the increase in precision and robustness, the ΛCDM cosmological model continues to offer a very good fit to the Planck data. The slope of the primordial scalar fluctuations, n s, is confirmed smaller than unity at more than 5σ from Planck alone. We further validate the robustness of the likelihood results against specific extensions to the baseline cosmology, which are particularly sensitive to data at high multipoles. For instance, the effective number of neutrino species remains compatible with the canonical value of 3.046. For this first detailed analysis of Planck polarization spectra, we concentrate at high multipoles on the E modes, leaving the analysis of the weaker B modes to future work. At low multipoles we use temperature maps at all Planck frequencies along with a subset of polarization data. These data take advantage of Planck’s wide frequency coverage to improve the separation of CMB and foreground emission. Within the baseline ΛCDM cosmology this requires τ = 0.078 ± 0.019 for the reionization optical depth, which is significantly lower than estimates without the use of high-frequency data for explicit monitoring of dust emission. At high multipoles we detect residual systematic errors in E polarization, typically at the μK 2 level; we therefore choose to retain temperature information alone for high multipoles as the recommended baseline, in particular for testing non-minimal models. Finally and nevertheless, the high-multipole polarization spectra from Planck are already good enough to enable a separate high-precision determination of the parameters of the ΛCDM model, showing consistency with those established independently from temperature information alone.« less

Reduced-rank approximations to the far-field transform in the gridded fast multipole method

NASA Astrophysics Data System (ADS)

Hesford, Andrew J.; Waag, Robert C.

2011-05-01

The fast multipole method (FMM) has been shown to have a reduced computational dependence on the size of finest-level groups of elements when the elements are positioned on a regular grid and FFT convolution is used to represent neighboring interactions. However, transformations between plane-wave expansions used for FMM interactions and pressure distributions used for neighboring interactions remain significant contributors to the cost of FMM computations when finest-level groups are large. The transformation operators, which are forward and inverse Fourier transforms with the wave space confined to the unit sphere, are smooth and well approximated using reduced-rank decompositions that further reduce the computational dependence of the FMM on finest-level group size. The adaptive cross approximation (ACA) is selected to represent the forward and adjoint far-field transformation operators required by the FMM. However, the actual error of the ACA is found to be greater than that predicted using traditional estimates, and the ACA generally performs worse than the approximation resulting from a truncated singular-value decomposition (SVD). To overcome these issues while avoiding the cost of a full-scale SVD, the ACA is employed with more stringent accuracy demands and recompressed using a reduced, truncated SVD. The results show a greatly reduced approximation error that performs comparably to the full-scale truncated SVD without degrading the asymptotic computational efficiency associated with ACA matrix assembly.

Reduced-Rank Approximations to the Far-Field Transform in the Gridded Fast Multipole Method.

PubMed

Hesford, Andrew J; Waag, Robert C

2011-05-10

The fast multipole method (FMM) has been shown to have a reduced computational dependence on the size of finest-level groups of elements when the elements are positioned on a regular grid and FFT convolution is used to represent neighboring interactions. However, transformations between plane-wave expansions used for FMM interactions and pressure distributions used for neighboring interactions remain significant contributors to the cost of FMM computations when finest-level groups are large. The transformation operators, which are forward and inverse Fourier transforms with the wave space confined to the unit sphere, are smooth and well approximated using reduced-rank decompositions that further reduce the computational dependence of the FMM on finest-level group size. The adaptive cross approximation (ACA) is selected to represent the forward and adjoint far-field transformation operators required by the FMM. However, the actual error of the ACA is found to be greater than that predicted using traditional estimates, and the ACA generally performs worse than the approximation resulting from a truncated singular-value decomposition (SVD). To overcome these issues while avoiding the cost of a full-scale SVD, the ACA is employed with more stringent accuracy demands and recompressed using a reduced, truncated SVD. The results show a greatly reduced approximation error that performs comparably to the full-scale truncated SVD without degrading the asymptotic computational efficiency associated with ACA matrix assembly.

Reduced-Rank Approximations to the Far-Field Transform in the Gridded Fast Multipole Method

PubMed Central

Hesford, Andrew J.; Waag, Robert C.

2011-01-01

The fast multipole method (FMM) has been shown to have a reduced computational dependence on the size of finest-level groups of elements when the elements are positioned on a regular grid and FFT convolution is used to represent neighboring interactions. However, transformations between plane-wave expansions used for FMM interactions and pressure distributions used for neighboring interactions remain significant contributors to the cost of FMM computations when finest-level groups are large. The transformation operators, which are forward and inverse Fourier transforms with the wave space confined to the unit sphere, are smooth and well approximated using reduced-rank decompositions that further reduce the computational dependence of the FMM on finest-level group size. The adaptive cross approximation (ACA) is selected to represent the forward and adjoint far-field transformation operators required by the FMM. However, the actual error of the ACA is found to be greater than that predicted using traditional estimates, and the ACA generally performs worse than the approximation resulting from a truncated singular-value decomposition (SVD). To overcome these issues while avoiding the cost of a full-scale SVD, the ACA is employed with more stringent accuracy demands and recompressed using a reduced, truncated SVD. The results show a greatly reduced approximation error that performs comparably to the full-scale truncated SVD without degrading the asymptotic computational efficiency associated with ACA matrix assembly. PMID:21552350

Convergence Rates of Best N-term Galerkin Approximations for a Class of Elliptic sPDEs

DTIC Science & Technology

2010-05-31

Todor , Karhúnen-Loève Approximation of Random Fields by General- ized Fast Multipole Methods, Journal of Computational Physics 217(2006), 100–122. [19...20] R. Todor , Robust eigenvalue computation for smoothing operators, SIAM J. Num. Anal. 44(2006), 865–878. 29 [21] R. Todor and Ch. Schwab, Convergence

Potential for a Near Term Very Low Energy Antiproton Source at Brookhaven National Laboratory.

DTIC Science & Technology

1989-04-01

9 Table III-1: Cost Summary . . . . * . . .. . * 10 IV. Lattice and Stretcher Properties . . . . . . .............. 11 Fig. IV-1 Cell... lattice functions . . . . . . . . . . 12 Fig. IV-2 Insertion region lattice . . . . . . . . . 12 Fig. IV-3 Superperiod lattice functions . . . . . . 12...8217 * . . . 13 Table IV-Ib Parameters after lattice matching . . . . 13 Table IV-lc Components specification. . . 13 Table IV-2 Random multipoles. .. . . .. 15

CMB EB and TB cross-spectrum estimation via pseudospectrum techniques

NASA Astrophysics Data System (ADS)

Grain, J.; Tristram, M.; Stompor, R.

2012-10-01

We discuss methods for estimating EB and TB spectra of the cosmic microwave background anisotropy maps covering limited sky area. Such odd-parity correlations are expected to vanish whenever parity is not broken. As this is indeed the case in the standard cosmologies, any evidence to the contrary would have a profound impact on our theories of the early Universe. Such correlations could also become a sensitive diagnostic of some particularly insidious instrumental systematics. In this work we introduce three different unbiased estimators based on the so-called standard and pure pseudo-spectrum techniques and later assess their performance by means of extensive Monte Carlo simulations performed for different experimental configurations. We find that a hybrid approach combining a pure estimate of B-mode multipoles with a standard one for E-mode (or T) multipoles, leads to the smallest error bars for both EB (or TB respectively) spectra as well as for the three other polarization-related angular power spectra (i.e., EE, BB, and TE). However, if both E and B multipoles are estimated using the pure technique, the loss of precision for the EB spectrum is not larger than ˜30%. Moreover, for the experimental configurations considered here, the statistical uncertainties-due to sampling variance and instrumental noise-of the pseudo-spectrum estimates is at most a factor ˜1.4 for TT, EE, and TE spectra and a factor ˜2 for BB, TB, and EB spectra, higher than the most optimistic Fisher estimate of the variance.

Flexibly imposing periodicity in kernel independent FMM: A multipole-to-local operator approach

NASA Astrophysics Data System (ADS)

Yan, Wen; Shelley, Michael

2018-02-01

An important but missing component in the application of the kernel independent fast multipole method (KIFMM) is the capability for flexibly and efficiently imposing singly, doubly, and triply periodic boundary conditions. In most popular packages such periodicities are imposed with the hierarchical repetition of periodic boxes, which may give an incorrect answer due to the conditional convergence of some kernel sums. Here we present an efficient method to properly impose periodic boundary conditions using a near-far splitting scheme. The near-field contribution is directly calculated with the KIFMM method, while the far-field contribution is calculated with a multipole-to-local (M2L) operator which is independent of the source and target point distribution. The M2L operator is constructed with the far-field portion of the kernel function to generate the far-field contribution with the downward equivalent source points in KIFMM. This method guarantees the sum of the near-field & far-field converge pointwise to results satisfying periodicity and compatibility conditions. The computational cost of the far-field calculation observes the same O (N) complexity as FMM and is designed to be small by reusing the data computed by KIFMM for the near-field. The far-field calculations require no additional control parameters, and observes the same theoretical error bound as KIFMM. We present accuracy and timing test results for the Laplace kernel in singly periodic domains and the Stokes velocity kernel in doubly and triply periodic domains.

Multipole expansion method for supernova neutrino oscillations

DOE PAGES

Duan, Huaiyu; Shalgar, Shashank

2014-10-31

Here, we demonstrate a multipole expansion method to calculate collective neutrino oscillations in supernovae using the neutrino bulb model. We show that it is much more efficient to solve multi-angle neutrino oscillations in multipole basis than in angle basis. The multipole expansion method also provides interesting insights into multi-angle calculations that were accomplished previously in angle basis.

Microscopic Description of Electric and Magnetic Toroidal Multipoles in Hybrid Orbitals

NASA Astrophysics Data System (ADS)

Hayami, Satoru; Kusunose, Hiroaki

2018-03-01

We derive the quantum-mechanical operator expressions of multipoles under the space-time inversion group. We elucidate that electric and magnetic toroidal multipoles, in addition to ordinary non-toroidal ones, are fundamental pieces to express arbitrary electronic degrees of freedom. We show that electric (magnetic) toroidal multipoles higher than the dipole (monopole) can become active in a hybridized-orbital system. We also demonstrate emergent cross-correlated couplings between the electric, magnetic, and elastic degrees of freedom, such as magneto-electric and magneto(electro)-elastic coupling, under toroidal multipole orders.

Windowed multipole for cross section Doppler broadening

NASA Astrophysics Data System (ADS)

Josey, C.; Ducru, P.; Forget, B.; Smith, K.

2016-02-01

This paper presents an in-depth analysis on the accuracy and performance of the windowed multipole Doppler broadening method. The basic theory behind cross section data is described, along with the basic multipole formalism followed by the approximations leading to windowed multipole method and the algorithm used to efficiently evaluate Doppler broadened cross sections. The method is tested by simulating the BEAVRS benchmark with a windowed multipole library composed of 70 nuclides. Accuracy of the method is demonstrated on a single assembly case where total neutron production rates and 238U capture rates compare within 0.1% to ACE format files at the same temperature. With regards to performance, clock cycle counts and cache misses were measured for single temperature ACE table lookup and for windowed multipole. The windowed multipole method was found to require 39.6% more clock cycles to evaluate, translating to a 7.9% performance loss overall. However, the algorithm has significantly better last-level cache performance, with 3 fewer misses per evaluation, or a 65% reduction in last-level misses. This is due to the small memory footprint of the windowed multipole method and better memory access pattern of the algorithm.

On the completeness and the linear dependence of the Cartesian multipole series in representing the solution to the Helmholtz equation.

PubMed

Liu, Yangfan; Bolton, J Stuart

2016-08-01

The (Cartesian) multipole series, i.e., the series comprising monopole, dipoles, quadrupoles, etc., can be used, as an alternative to the spherical or cylindrical wave series, in representing sound fields in a wide range of problems, such as source radiation, sound scattering, etc. The proofs of the completeness of the spherical and cylindrical wave series in these problems are classical results, and it is also generally agreed that the Cartesian multipole series spans the same space as the spherical waves: a rigorous mathematical proof of that statement has, however, not been presented. In the present work, such a proof of the completeness of the Cartesian multipole series, both in two and three dimensions, is given, and the linear dependence relations among different orders of multipoles are discussed, which then allows one to easily extract a basis from the multipole series. In particular, it is concluded that the multipoles comprising the two highest orders in the series form a basis of the whole series, since the multipoles of all the lower source orders can be expressed as a linear combination of that basis.

A unified formulation of dichroic signals using the Borrmann effect and twisted photon beams.

PubMed

Collins, Stephen P; Lovesey, Stephen W

2018-05-21

Dichroic X-ray signals derived from the Borrmann effect and a twisted photon beam with topological charge l = 1 are formulated with an effective wavevector. The unification applies for non-magnetic and magnetic materials. Electronic degrees of freedom associated with an ion are encapsulated in multipoles previously used to interpret conventional dichroism and Bragg diffraction enhanced by an atomic resonance. A dichroic signal exploiting the Borrmann effect with a linearly polarized beam presents charge-like multipoles that include a hexadecapole. A difference between dichroic signals obtained with a twisted beam carrying spin polarization (circular polarization) and opposite winding numbers presents charge-like atomic multipoles, whereas a twisted beam carrying linear polarization alone presents magnetic (time-odd) multipoles. Charge-like multipoles include a quadrupole, and magnetic multipoles include a dipole and an octupole. We discuss the practicalities and relative merits of spectroscopy exploiting the two remarkably closely-related processes. Signals using beams with topological charges l ≥ 2 present additional atomic multipoles.

Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning.

PubMed

Fletcher, Timothy L; Popelier, Paul L A

2016-06-14

A machine learning method called kriging is applied to the set of all 20 naturally occurring amino acids. Kriging models are built that predict electrostatic multipole moments for all topological atoms in any amino acid based on molecular geometry only. These models then predict molecular electrostatic interaction energies. On the basis of 200 unseen test geometries for each amino acid, no amino acid shows a mean prediction error above 5.3 kJ mol(-1), while the lowest error observed is 2.8 kJ mol(-1). The mean error across the entire set is only 4.2 kJ mol(-1) (or 1 kcal mol(-1)). Charged systems are created by protonating or deprotonating selected amino acids, and these show no significant deviation in prediction error over their neutral counterparts. Similarly, the proposed methodology can also handle amino acids with aromatic side chains, without the need for modification. Thus, we present a generic method capable of accurately capturing multipolar polarizable electrostatics in amino acids.

Multipolar electrostatics based on the Kriging machine learning method: an application to serine.

PubMed

Yuan, Yongna; Mills, Matthew J L; Popelier, Paul L A

2014-04-01

A multipolar, polarizable electrostatic method for future use in a novel force field is described. Quantum Chemical Topology (QCT) is used to partition the electron density of a chemical system into atoms, then the machine learning method Kriging is used to build models that relate the multipole moments of the atoms to the positions of their surrounding nuclei. The pilot system serine is used to study both the influence of the level of theory and the set of data generator methods used. The latter consists of: (i) sampling of protein structures deposited in the Protein Data Bank (PDB), or (ii) normal mode distortion along either (a) Cartesian coordinates, or (b) redundant internal coordinates. Wavefunctions for the sampled geometries were obtained at the HF/6-31G(d,p), B3LYP/apc-1, and MP2/cc-pVDZ levels of theory, prior to calculation of the atomic multipole moments by volume integration. The average absolute error (over an independent test set of conformations) in the total atom-atom electrostatic interaction energy of serine, using Kriging models built with the three data generator methods is 11.3 kJ mol⁻¹ (PDB), 8.2 kJ mol⁻¹ (Cartesian distortion), and 10.1 kJ mol⁻¹ (redundant internal distortion) at the HF/6-31G(d,p) level. At the B3LYP/apc-1 level, the respective errors are 7.7 kJ mol⁻¹, 6.7 kJ mol⁻¹, and 4.9 kJ mol⁻¹, while at the MP2/cc-pVDZ level they are 6.5 kJ mol⁻¹, 5.3 kJ mol⁻¹, and 4.0 kJ mol⁻¹. The ranges of geometries generated by the redundant internal coordinate distortion and by extraction from the PDB are much wider than the range generated by Cartesian distortion. The atomic multipole moment and electrostatic interaction energy predictions for the B3LYP/apc-1 and MP2/cc-pVDZ levels are similar, and both are better than the corresponding predictions at the HF/6-31G(d,p) level.

Robust Diagnosis Method Based on Parameter Estimation for an Interturn Short-Circuit Fault in Multipole PMSM under High-Speed Operation.

PubMed

Lee, Jewon; Moon, Seokbae; Jeong, Hyeyun; Kim, Sang Woo

2015-11-20

This paper proposes a diagnosis method for a multipole permanent magnet synchronous motor (PMSM) under an interturn short circuit fault. Previous works in this area have suffered from the uncertainties of the PMSM parameters, which can lead to misdiagnosis. The proposed method estimates the q-axis inductance (Lq) of the faulty PMSM to solve this problem. The proposed method also estimates the faulty phase and the value of G, which serves as an index of the severity of the fault. The q-axis current is used to estimate the faulty phase, the values of G and Lq. For this reason, two open-loop observers and an optimization method based on a particle-swarm are implemented. The q-axis current of a healthy PMSM is estimated by the open-loop observer with the parameters of a healthy PMSM. The Lq estimation significantly compensates for the estimation errors in high-speed operation. The experimental results demonstrate that the proposed method can estimate the faulty phase, G, and Lq besides exhibiting robustness against parameter uncertainties.

Parallel Fast Multipole Method For Molecular Dynamics

DTIC Science & Technology

2007-06-01

Parallel Fast Multipole Method For Molecular Dynamics THESIS Reid G. Ormseth, Captain, USAF AFIT/GAP/ENP/07-J02 DEPARTMENT OF THE AIR FORCE AIR...the United States Government. AFIT/GAP/ENP/07-J02 Parallel Fast Multipole Method For Molecular Dynamics THESIS Presented to the Faculty Department of...has also been provided by ‘The Art of Molecular Dynamics Simulation ’ by Dennis Rapaport. This work is the clearest treatment of the Fast Multipole

Controlling the stability of nonlinear optical modes via electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Zhang, Kun; Liang, Yi-zeng; Lin, Ji; Li, Hui-jun

2018-02-01

We propose a scheme to generate and stabilize the high-dimensional spatial solitons via electromagnetically induced transparency (EIT). The system we consider is a resonant atomic ensemble having Λ configuration. We illustrate that under EIT conditions the equation satisfied by the probe field envelope is reduced to a saturable nonlinear Schrödinger equation with the trapping potential, provided by a far-detuned laser field and a random magnetic field. We present high-dimensional soliton solutions exhibiting many interesting characteristics, including diversity (i.e., many different types of soliton solutions can be found, including bright, ring multipole bright, ring multipole defect mode, multiring bright, multiring defect mode, and vortices solitons), the phase transition between bright soliton and higher-order defect modes (i.e., the phase transition can be realized by controlling the nonlinear coefficient or the intensity of the trapping potential), and stability (i.e., various solitons can be stabilized by the Gaussian potential provided by the far detuned laser field, or the random potential provided by the magnetic field). We also find that some solitons are the extension of the linear eigenmode, whereas others entirely derive from the role of nonlinearity. Compared with previous studies, we not only show the diverse soliton solutions in the same system but also find the boundary of the phase transition for the type of solitons. In addition, we present the possibility of using the random potential to stabilize various solitons and vortices.

Karhunen Loève approximation of random fields by generalized fast multipole methods

NASA Astrophysics Data System (ADS)

Schwab, Christoph; Todor, Radu Alexandru

2006-09-01

KL approximation of a possibly instationary random field a( ω, x) ∈ L2( Ω, d P; L∞( D)) subject to prescribed meanfield Ea(x)=∫a(ω,x) dP(ω) and covariance Va(x,x')=∫(a(ω,x)-Ea(x))(a(ω,x')-Ea(x')) dP(ω) in a polyhedral domain D⊂Rd is analyzed. We show how for stationary covariances Va( x, x') = ga(| x - x'|) with ga( z) analytic outside of z = 0, an M-term approximate KL-expansion aM( ω, x) of a( ω, x) can be computed in log-linear complexity. The approach applies in arbitrary domains D and for nonseparable covariances Ca. It involves Galerkin approximation of the KL eigenvalue problem by discontinuous finite elements of degree p ⩾ 0 on a quasiuniform, possibly unstructured mesh of width h in D, plus a generalized fast multipole accelerated Krylov-Eigensolver. The approximate KL-expansion aM( x, ω) of a( x, ω) has accuracy O(exp(- bM1/ d)) if ga is analytic at z = 0 and accuracy O( M- k/ d) if ga is Ck at zero. It is obtained in O( MN(log N) b) operations where N = O( h- d).

Multipole Structure and Coordinate Systems

ERIC Educational Resources Information Center

Burko, Lior M.

2007-01-01

Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bahrdt, J.; Frentrup, W.; Gaupp, A.

BESSY plans to go to topping up operation in the near future. A high injection efficiency is essential to avoid particle losses inside the undulator magnets and to ensure a low radiation background in the beamlines. Dynamic and static multipoles of the insertion devices have to be minimized to accomplish this requirement. APPLE II devices show strong dynamic multipoles in the elliptical and vertical polarization mode. Measurements before and after shimming of these multipoles are presented. The static multipoles of the BESSY UE56-2 which are due to systematic block inhomgeneities have successfully been shimmed recovering the full dynamic aperture.

The active site of hen egg-white lysozyme: flexibility and chemical bonding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Held, Jeanette, E-mail: jeanette.netzel@uni-bayreuth.de; Smaalen, Sander van

Chemical bonding at the active site of lysozyme is analyzed on the basis of a multipole model employing transferable multipole parameters from a database. Large B factors at low temperatures reflect frozen-in disorder, but therefore prevent a meaningful free refinement of multipole parameters. Chemical bonding at the active site of hen egg-white lysozyme (HEWL) is analyzed on the basis of Bader’s quantum theory of atoms in molecules [QTAIM; Bader (1994 ▶), Atoms in Molecules: A Quantum Theory. Oxford University Press] applied to electron-density maps derived from a multipole model. The observation is made that the atomic displacement parameters (ADPs) ofmore » HEWL at a temperature of 100 K are larger than ADPs in crystals of small biological molecules at 298 K. This feature shows that the ADPs in the cold crystals of HEWL reflect frozen-in disorder rather than thermal vibrations of the atoms. Directly generalizing the results of multipole studies on small-molecule crystals, the important consequence for electron-density analysis of protein crystals is that multipole parameters cannot be independently varied in a meaningful way in structure refinements. Instead, a multipole model for HEWL has been developed by refinement of atomic coordinates and ADPs against the X-ray diffraction data of Wang and coworkers [Wang et al. (2007), Acta Cryst. D63, 1254–1268], while multipole parameters were fixed to the values for transferable multipole parameters from the ELMAM2 database [Domagala et al. (2012), Acta Cryst. A68, 337–351] . Static and dynamic electron densities based on this multipole model are presented. Analysis of their topological properties according to the QTAIM shows that the covalent bonds possess similar properties to the covalent bonds of small molecules. Hydrogen bonds of intermediate strength are identified for the Glu35 and Asp52 residues, which are considered to be essential parts of the active site of HEWL. Furthermore, a series of weak C—H⋯O hydrogen bonds are identified by means of the existence of bond critical points (BCPs) in the multipole electron density. It is proposed that these weak interactions might be important for defining the tertiary structure and activity of HEWL. The deprotonated state of Glu35 prevents a distinction between the Phillips and Koshland mechanisms.« less

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries

NASA Astrophysics Data System (ADS)

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-01

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2 ,|m |=2 ) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m |)=(2 ,2 ),(3 ,3 ),(4 ,4 ),(2 ,1 ),(3 ,2 ),(4 ,3 ) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

A wideband fast multipole boundary element method for half-space/plane-symmetric acoustic wave problems

NASA Astrophysics Data System (ADS)

Zheng, Chang-Jun; Chen, Hai-Bo; Chen, Lei-Lei

2013-04-01

This paper presents a novel wideband fast multipole boundary element approach to 3D half-space/plane-symmetric acoustic wave problems. The half-space fundamental solution is employed in the boundary integral equations so that the tree structure required in the fast multipole algorithm is constructed for the boundary elements in the real domain only. Moreover, a set of symmetric relations between the multipole expansion coefficients of the real and image domains are derived, and the half-space fundamental solution is modified for the purpose of applying such relations to avoid calculating, translating and saving the multipole/local expansion coefficients of the image domain. The wideband adaptive multilevel fast multipole algorithm associated with the iterative solver GMRES is employed so that the present method is accurate and efficient for both lowand high-frequency acoustic wave problems. As for exterior acoustic problems, the Burton-Miller method is adopted to tackle the fictitious eigenfrequency problem involved in the conventional boundary integral equation method. Details on the implementation of the present method are described, and numerical examples are given to demonstrate its accuracy and efficiency.

Reconstruction of real-space linear matter power spectrum from multipoles of BOSS DR12 results

NASA Astrophysics Data System (ADS)

Lee, Seokcheon

2018-02-01

Recently, the power spectrum (PS) multipoles using the Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 12 (DR12) sample are analyzed [1]. The based model for the analysis is the so-called TNS quasi-linear model and the analysis provides the multipoles up to the hexadecapole [2]. Thus, one might be able to recover the real-space linear matter PS by using the combinations of multipoles to investigate the cosmology [3]. We provide the analytic form of the ratio of quadrupole (hexadecapole) to monopole moments of the quasi-linear PS including the Fingers-of-God (FoG) effect to recover the real-space PS in the linear regime. One expects that observed values of the ratios of multipoles should be consistent with those of the linear theory at large scales. Thus, we compare the ratios of multipoles of the linear theory, including the FoG effect with the measured values. From these, we recover the linear matter power spectra in real-space. These recovered power spectra are consistent with the linear matter power spectra.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries.

PubMed

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-20

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2,|m|=2) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m|)=(2,2),(3,3),(4,4),(2,1),(3,2),(4,3) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

Multipole analysis of {sup 2}H({gamma},p)n in the {Delta} resonance region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whisnant, C.S.; Mize, W.K.; Pomarede, D.

1998-07-01

An energy-dependent multipole analysis of the photodisintegration of deuterium has been performed for photon energies between 187 and 314 MeV using recent data taken with linearly polarized photons. A good fit is obtained with 11 free parameters determining eight multipoles. A wide variety of multipole solutions has been examined and in all cases the cross section with photon polarization parallel to the reaction plane is dominated by electric transitions, with E2{bold {center_dot}}E1 interference responsible for the observed forward-backward angular asymmetry. The cross sections observed in perpendicular kinematics are dominated by magnetic multipoles. Several recent N{Delta}/NN coupled-channel calculations have predicted amore » pronounced 90{degree} dip in the cross section that is absent from the data. This dip can be reproduced by changing the M2 strength distribution in our fit. A comparison is made with multipoles calculated by Wilhelm and Arenh{umlt o}vel at 300 MeV. {copyright} {ital 1998} {ital The American Physical Society}« less

Efficient Broadband Simulation of Fluid-Structure Coupling for Membrane-Type Acoustic Transducer Arrays Using the Multilevel Fast Multipole Algorithm.

PubMed

Shieh, Bernard; Sabra, Karim G; Degertekin, F Levent

2016-11-01

A boundary element model provides great flexibility for the simulation of membrane-type micromachined ultrasonic transducers (MUTs) in terms of membrane shape, actuating mechanism, and array layout. Acoustic crosstalk is accounted for through a mutual impedance matrix that captures the primary crosstalk mechanism of dispersive-guided modes generated at the fluid-solid interface. However, finding the solution to the fully populated boundary element matrix equation using standard techniques requires computation time and memory usage that scales by the cube and by the square of the number of nodes, respectively, limiting simulation to a small number of membranes. We implement a solver with improved speed and efficiency through the application of a multilevel fast multipole algorithm (FMA). By approximating the fields of collections of nodes using multipole expansions of the free-space Green's function, an FMA solver can enable the simulation of hundreds of thousands of nodes while incurring an approximation error that is controllable. Convergence is drastically improved using a problem-specific block-diagonal preconditioner. We demonstrate the solver's capabilities by simulating a 32-element 7-MHz 1-D capacitive MUT (CMUT) phased array with 2880 membranes. The array is simulated using 233280 nodes for a very wide frequency band up to 50 MHz. For a simulation with 15210 nodes, the FMA solver performed ten times faster and used 32 times less memory than a standard solver based on LU decomposition. We investigate the effects of mesh density and phasing on the predicted array response and find that it is necessary to use about seven nodes over the width of the membrane to observe convergence of the solution-even below the first membrane resonance frequency-due to the influence of higher order membrane modes.

Gravitational scattering of electromagnetic radiation

NASA Technical Reports Server (NTRS)

Brooker, J. T.; Janis, A. I.

1980-01-01

The scattering of electromagnetic radiation by linearized gravitational fields is studied to second order in a perturbation expansion. The incoming electromagnetic radiation can be of arbitrary multipole structure, and the gravitational fields are also taken to be advanced fields of arbitrary multipole structure. All electromagnetic multipole radiation is found to be scattered by gravitational monopole and time-varying dipole fields. No case has been found, however, in which any electromagnetic multipole radiation is scattered by gravitational fields of quadrupole or higher-order multipole structure. This lack of scattering is established for infinite classes of special cases, and is conjectured to hold in general. The results of the scattering analysis are applied to the case of electromagnetic radiation scattered by a moving mass. It is shown how the mass and velocity may be determined by a knowledge of the incident and scattered radiation.

Polynomial interpretation of multipole vectors

NASA Astrophysics Data System (ADS)

Katz, Gabriel; Weeks, Jeff

2004-09-01

Copi, Huterer, Starkman, and Schwarz introduced multipole vectors in a tensor context and used them to demonstrate that the first-year Wilkinson microwave anisotropy probe (WMAP) quadrupole and octopole planes align at roughly the 99.9% confidence level. In the present article, the language of polynomials provides a new and independent derivation of the multipole vector concept. Bézout’s theorem supports an elementary proof that the multipole vectors exist and are unique (up to rescaling). The constructive nature of the proof leads to a fast, practical algorithm for computing multipole vectors. We illustrate the algorithm by finding exact solutions for some simple toy examples and numerical solutions for the first-year WMAP quadrupole and octopole. We then apply our algorithm to Monte Carlo skies to independently reconfirm the estimate that the WMAP quadrupole and octopole planes align at the 99.9% level.

Preparing the BESSY APPLE Undulators for Top-Up Operation

NASA Astrophysics Data System (ADS)

Bahrdt, J.; Frentrup, W.; Gaupp, A.; Scheer, M.

2007-01-01

BESSY plans to go to topping up operation in the near future. A high injection efficiency is essential to avoid particle losses inside the undulator magnets and to ensure a low radiation background in the beamlines. Dynamic and static multipoles of the insertion devices have to be minimized to accomplish this requirement. APPLE II devices show strong dynamic multipoles in the elliptical and vertical polarization mode. Measurements before and after shimming of these multipoles are presented. The static multipoles of the BESSY UE56-2 which are due to systematic block inhomgeneities have successfully been shimmed recovering the full dynamic aperture.

Multipole surface plasmons in metallic nanohole arrays

NASA Astrophysics Data System (ADS)

Nishida, Munehiro; Hatakenaka, Noriyuki; Kadoya, Yutaka

2015-06-01

The quasibound electromagnetic modes for the arrays of nanoholes perforated in thin gold film are analyzed both numerically by the rigorous coupled wave analysis (RCWA) method and semianalytically by the coupled mode method. It is shown that when the size of the nanohole occupies a large portion of the unit cell, the surface plasmon polaritons (SPPs) at both sides of the film are combined by the higher order waveguide modes of the holes to produce multipole surface plasmons: coupled surface plasmon modes with multipole texture on the elec-tric field distributions. Further, it is revealed that the multipole texture either enhances or suppresses the couplings between SPPs depending on their diffraction orders and also causes band inversion and reconstruction in the coupled SPP band structure. Due to the multipole nature of the quasibound modes, multiple dark modes coexist to produce a variety of Fano resonance structures on the transmission and reflection spectra.

Mean-field theory for multipole ordering in f-electron systems on the basis of a j-j coupling scheme

NASA Astrophysics Data System (ADS)

Yamamura, Ryosuke; Hotta, Takashi

2018-05-01

We develop a microscopic theory for multipole ordering, applicable to the system with plural numbers of f electrons per ion, from an itinerant picture on the basis of a j-j coupling scheme. For the purpose, by introducing the Γ8 Hubbard Hamiltonian as the minimum model to discuss the multipole ordering in f-electron systems, we describe the mean-field approximation in terms of the multipole operators. For the case of n = 2 , where n denotes the average f-electron number per ion, we analyze the model on a simple cubic lattice to obtain the multipole phase diagram. In particular, we find the order of non-Kramers Γ3 quadrupoles, O20 and O22 , with different ordering vectors. We attempt to explain the phase diagram from the discussion on the interaction energy.

AUTOMATIC GENERATION OF FFT FOR TRANSLATIONS OF MULTIPOLE EXPANSIONS IN SPHERICAL HARMONICS

PubMed Central

Mirkovic, Dragan; Pettitt, B. Montgomery; Johnsson, S. Lennart

2009-01-01

The fast multipole method (FMM) is an efficient algorithm for calculating electrostatic interactions in molecular simulations and a promising alternative to Ewald summation methods. Translation of multipole expansion in spherical harmonics is the most important operation of the fast multipole method and the fast Fourier transform (FFT) acceleration of this operation is among the fastest methods of improving its performance. The technique relies on highly optimized implementation of fast Fourier transform routines for the desired expansion sizes, which need to incorporate the knowledge of symmetries and zero elements in the input arrays. Here a method is presented for automatic generation of such, highly optimized, routines. PMID:19763233

Polarizable atomic multipole X-ray refinement: application to peptide crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schnieders, Michael J.; Fenn, Timothy D.; Howard Hughes Medical Institute

2009-09-01

A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussianmore » multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered R{sub free} by 20–40% relative to the original spherically symmetric scattering model.« less

First-principles Theory of Magnetic Multipoles in Condensed Matter Systems

NASA Astrophysics Data System (ADS)

Suzuki, Michi-To; Ikeda, Hiroaki; Oppeneer, Peter M.

2018-04-01

The multipole concept, which characterizes the spacial distribution of scalar and vector objects by their angular dependence, has already become widely used in various areas of physics. In recent years it has become employed to systematically classify the anisotropic distribution of electrons and magnetization around atoms in solid state materials. This has been fuelled by the discovery of several physical phenomena that exhibit unusual higher rank multipole moments, beyond that of the conventional degrees of freedom as charge and magnetic dipole moment. Moreover, the higher rank electric/magnetic multipole moments have been suggested as promising order parameters in exotic hidden order phases. While the experimental investigations of such anomalous phases have provided encouraging observations of multipolar order, theoretical approaches have developed at a slower pace. In particular, a materials' specific theory has been missing. The multipole concept has furthermore been recognized as the key quantity which characterizes the resultant configuration of magnetic moments in a cluster of atomic moments. This cluster multipole moment has then been introduced as macroscopic order parameter for a noncollinear antiferromagnetic structure in crystals that can explain unusual physical phenomena whose appearance is determined by the magnetic point group symmetry. It is the purpose of this review to discuss the recent developments in the first-principles theory investigating multipolar degrees of freedom in condensed matter systems. These recent developments exemplify that ab initio electronic structure calculations can unveil detailed insight in the mechanism of physical phenomena caused by the unconventional, multipole degree of freedom.

Design and Analysis of an Axisymmetric Phased Array Fed Gregorian Reflector System for Limited Scanning

DTIC Science & Technology

2016-01-22

Numerical electromagnetic simulations based on the multilevel fast multipole method (MLFMM) were used to analyze and optimize the antenna...and are not necessarily endorsed by the United States Government. numerical simulations with the multilevel fast multipole method (MLFMM...and optimized using numerical simulations conducted with the multilevel fast multipole method (MLFMM) using FEKO software (www.feko.info). The

A field-cancellation algorithm for constructing economical planar permanent magnet (PM) multipoles with large high-quality field apertures

NASA Astrophysics Data System (ADS)

Tatchyn, Roman

1997-05-01

In recent years studies have been initiated on a new class of multipole field generators consisting of cuboid planar permanent magnet (PM) pieces arranged in bi-planar arrays of 2-fold rotational symmetry(R. Tatchyn, "Planar Permanent Magnet Multipoles: for Particle Accelerator and Storage Ring Applications ," IEEE Trans. Mag. 30, 5050(1994).)(T. Cremer, R. Tatchyn, "Planar Permanent Magnet Multipoles: Measurements and Configurations," in Proceedings of the 1995 Particle Accelerator Conference, IEEE Catalog No. 95CH35843, paper FAQ-20.). These structures, first introduced for Free Electron Laser (FEL) applications(R. Tatchyn, "Selected applications of planar permanent magnet multipoles in FEL insertion device design," NIM A341, 449(1994).), are based on reducing the rotational symmetry of conventional N-pole field generators from N-fold to 2-fold. One consequence of this reduction is a large higher-multipole content in a planar PM multipole's field at distances relatively close to the structure's axis, making it generally unsuitable for applications requiring a large high-quality field aperture. In this paper we outline an economical field-cancellation algorithm that can substantially decrease the harmonic content of a planar PM's field without breaking its biplanar geometry or 2-fold rotational symmetry. This will enable planar PM multipoles to be employed in a broader range of applications than heretofore possible, in particular as distributed focusing elements installed in insertion device gaps on synchrotron storage rings. This accomplishment is expected to remove the conventional restriction of an insertion device's length to the scale of the local focusing beta, enabling short-period, small-gap undulators to be installed and operated as high-brightness sources on lower-energy storage rings(R. Tatchyn, P. Csonka, A. Toor, "Perspectives on micropole undulators in synchrotron radiation technology," Rev. Sci. Instrum. 60(7), 1796(1989).). Operation as ordinary focusing elements in storage ring magnetic lattices, as well as the performance of other high-quality multipole applications, should also becomes possible with the realization of the proposed structures.

Modeling super-resolution SERS using a T-matrix method to elucidate molecule-nanoparticle coupling and the origins of localization errors

NASA Astrophysics Data System (ADS)

Heaps, Charles W.; Schatz, George C.

2017-06-01

A computational method to model diffraction-limited images from super-resolution surface-enhanced Raman scattering microscopy is introduced. Despite significant experimental progress in plasmon-based super-resolution imaging, theoretical predictions of the diffraction limited images remain a challenge. The method is used to calculate localization errors and image intensities for a single spherical gold nanoparticle-molecule system. The light scattering is calculated using a modification of generalized Mie (T-matrix) theory with a point dipole source and diffraction limited images are calculated using vectorial diffraction theory. The calculation produces the multipole expansion for each emitter and the coherent superposition of all fields. Imaging the constituent fields in addition to the total field provides new insight into the strong coupling between the molecule and the nanoparticle. Regardless of whether the molecular dipole moment is oriented parallel or perpendicular to the nanoparticle surface, the anisotropic excitation distorts the center of the nanoparticle as measured by the point spread function by approximately fifty percent of the particle radius toward to the molecule. Inspection of the nanoparticle multipoles reveals that distortion arises from a weak quadrupole resonance interfering with the dipole field in the nanoparticle. When the nanoparticle-molecule fields are in-phase, the distorted nanoparticle field dominates the observed image. When out-of-phase, the nanoparticle and molecule are of comparable intensity and interference between the two emitters dominates the observed image. The method is also applied to different wavelengths and particle radii. At off-resonant wavelengths, the method predicts images closer to the molecule not because of relative intensities but because of greater distortion in the nanoparticle. The method is a promising approach to improving the understanding of plasmon-enhanced super-resolution experiments.

Geometry-dependent atomic multipole models for the water molecule.

PubMed

Loboda, O; Millot, C

2017-10-28

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.

Geometry-dependent atomic multipole models for the water molecule

NASA Astrophysics Data System (ADS)

Loboda, O.; Millot, C.

2017-10-01

Models of atomic electric multipoles for the water molecule have been optimized in order to reproduce the electric potential around the molecule computed by ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set. Different models of increasing complexity, from atomic charges up to models containing atomic charges, dipoles, and quadrupoles, have been obtained. The geometry dependence of these atomic multipole models has been investigated by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For several models, the atomic multipole components have been fitted as a function of the geometry by a Taylor series of fourth order in monomer coordinate displacements.

15 cm mercury multipole thruster

NASA Technical Reports Server (NTRS)

Longhurst, G. R.; Wilbur, P. J.

1978-01-01

A 15 cm multipole ion thruster was adapted for use with mercury propellant. During the optimization process three separable functions of magnetic fields within the discharge chamber were identified: (1) they define the region where the bulk of ionization takes place, (2) they influence the magnitudes and gradients in plasma properties in this region, and (3) they control impedance between the cathode and main discharge plasmas in hollow cathode thrusters. The mechanisms for these functions are discussed. Data from SERT II and cusped magnetic field thrusters are compared with those measured in the multipole thruster. The performance of this thruster is shown to be similar to that of the other two thrusters. Means of achieving further improvement in the performance of the multipole thruster are suggested.

Design of an rf quadrupole for Landau damping

NASA Astrophysics Data System (ADS)

Papke, K.; Grudiev, A.

2017-08-01

The recently proposed superconducting quadrupole resonator for Landau damping in accelerators is subjected to a detailed design study. The optimization process of two different cavity types is presented following the requirements of the High Luminosity Large Hadron Collider (HL-LHC) with the main focus on quadrupolar strength, surface peak fields, and impedance. The lower order and higher order mode (LOM and HOM) spectrum of the optimized cavities is investigated and different approaches for their damping are proposed. On the basis of an example the first two higher order multipole errors are calculated. Likewise on this example the required rf power and optimal external quality factor for the input coupler is derived.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doose, Charles; Jain, Animesh

The APS-U is planned to be a 4th generation hard X-ray light source utilizing a multi-bend achromat (MBA) magnet lattice. The MBA lattice will be installed in the existing APS storage ring enclosure. The stored electron beam will circulate clockwise when viewed from above. The X-ray beamlines will for the most part exit at the same source points as the present APS. This document defines the signs and conventions related to the APS-U MBA magnets. Included in this document are: the local magnet coordinate system, definitions of mechanical and magnetic centers, definitions of multipole field errors, magnetic roll angle, andmore » magnet polarities.« less

Comparison of temporal and spectral scattering methods using acoustically large breast models derived from magnetic resonance images.

PubMed

Hesford, Andrew J; Tillett, Jason C; Astheimer, Jeffrey P; Waag, Robert C

2014-08-01

Accurate and efficient modeling of ultrasound propagation through realistic tissue models is important to many aspects of clinical ultrasound imaging. Simplified problems with known solutions are often used to study and validate numerical methods. Greater confidence in a time-domain k-space method and a frequency-domain fast multipole method is established in this paper by analyzing results for realistic models of the human breast. Models of breast tissue were produced by segmenting magnetic resonance images of ex vivo specimens into seven distinct tissue types. After confirming with histologic analysis by pathologists that the model structures mimicked in vivo breast, the tissue types were mapped to variations in sound speed and acoustic absorption. Calculations of acoustic scattering by the resulting model were performed on massively parallel supercomputer clusters using parallel implementations of the k-space method and the fast multipole method. The efficient use of these resources was confirmed by parallel efficiency and scalability studies using large-scale, realistic tissue models. Comparisons between the temporal and spectral results were performed in representative planes by Fourier transforming the temporal results. An RMS field error less than 3% throughout the model volume confirms the accuracy of the methods for modeling ultrasound propagation through human breast.

Correlated isocurvature fluctuation in quintessence and suppressed cosmic microwave background anisotropies at low multipoles.

PubMed

Moroi, Takeo; Takahashi, Tomo

2004-03-05

We consider cosmic microwave background (CMB) anisotropy in models with quintessence, taking into account isocurvature fluctuation. It is shown that, if the primordial fluctuation of the quintessence has a correlation with the adiabatic density fluctuations, the CMB angular power spectrum C(l) at low multipoles can be suppressed without affecting C(l) at high multipoles. A possible scenario for generating a correlated mixture of the quintessence and adiabatic fluctuations is also discussed.

Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharchenko, V.F., E-mail: vkharchenko@bitp.kiev.ua

2015-04-15

The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determinemore » the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities.« less

Electromagnetic multipole moments of the P_c^+(4380) pentaquark in light-cone QCD

NASA Astrophysics Data System (ADS)

Özdem, U.; Azizi, K.

2018-05-01

We calculate the electromagnetic multipole moments of the P_c^+(4380) pentaquark by modeling it as the diquark-diquark-antiquark and {\\bar{D}}^*Σ _c molecular state with quantum numbers J^P = 3/2^-. In particular, the magnetic dipole, electric quadrupole and magnetic octupole moments of this particle are extracted in the framework of light-cone QCD sum rule. The values of the electromagnetic multipole moments obtained via two pictures differ substantially from each other, which can be used to pin down the underlying structure of P_c^+(4380). The comparison of any future experimental data on the electromagnetic multipole moments of the P_c^+(4380) pentaquark with the results of the present work can shed light on the nature and inner quark organization of this state.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Inverse computation for cardiac sources using single current dipole and current multipole models

NASA Astrophysics Data System (ADS)

Wang, Qian; Ma, Ping; Lu, Hong; Tang, Xue-Zheng; Hua, Ning; Tang, Fa-Kuan

2009-12-01

Two cardiac functional models are constructed in this paper. One is a single current model and the other is a current multipole model. Parameters denoting the properties of these two models are calculated by a least-square fit to the measurements using a simulated annealing algorithm. The measured signals are detected at 36 observation nodes by a superconducting quantum interference device (SQUID). By studying the trends of position, orientation and magnitude of the single current dipole model and the current multipole model in the QRS complex during one time span and comparing the reconstructed magnetocardiography (MCG) of these two cardiac models, we find that the current multipole model is a more appropriate model to represent cardiac electrophysiological activity.

Implementation of a finite-amplitude method in a relativistic meson-exchange model

NASA Astrophysics Data System (ADS)

Sun, Xuwei; Lu, Dinghui

2017-08-01

The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.

Structural analysis according to reduced data: VIII. Refinement of the extended model of aspherical atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudka, A. P.

A program for the refinement of the model of aspherical atoms within the Stewart-Hansen-Coppens formalism has been developed. Deformation scattering up to the 8th expansion order in multipoles has been taken into account for the first time. The program was tested for 11 crystals. The effect of the result of interpolation of radial scattering curves on the model parameters is considered. The importance of introduction of multipoles of high (5th-8th) orders into the model for a number of crystals is shown. The use of the extended multipole model for a silicon crystal revealed some new specific features of the electronicmore » structure: consideration of multipoles up to the 7th order makes it possible to explain the intensity of the forbidden 222 reflection.« less

Leakage of power from dipole to higher multipoles due to non-symmetric beam shape of the CMB missions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Santanu; Souradeep, Tarun, E-mail: santanud@iucaa.ernet.in, E-mail: tarun@iucaa.ernet.in

2015-05-01

A number of studies of WMAP and Planck claimed the low multipole (specially quadrupole) power deficiency in CMB power spectrum. Anomaly in the orientations of the low multipoles have also been claimed. There is a possibility that the power deficiency at low multipoles may not be of primordial origin and is only an observation artifact coming from the scan procedure adapted in the WMAP or Planck satellites. Therefore, it is always important to investigate all the observational artifacts that can mimic them. The CMB dipole which is much higher than the quadrupole can leak to the higher multipoles due tomore » the non-symmetric beam shape of the WMAP or Planck. We observe that a non-negligible amount of power from the dipole can get transferred to the quadrupole and the higher multipoles due to the non-symmetric beam shapes and contaminate the observed measurements. The orientation of the quadrupole generated by this power transfer is surprisingly very close to the quadrupole observed from the WMAP and Planck maps. However, our analysis shows that the orientation of the quadrupole can not be explained using only the dipole power leakage. In this paper we calculate the amount of quadrupole power leakage for different WMAP bands. For Planck we present the results in terms of upper limits on asymmetric beam parameters that can lead to significant amount of power leakage.« less

pureS2HAT: S 2HAT-based Pure E/B Harmonic Transforms

NASA Astrophysics Data System (ADS)

Grain, J.; Stompor, R.; Tristram, M.

2011-10-01

The pS2HAT routines allow efficient, parallel calculation of the so-called 'pure' polarized multipoles. The computed multipole coefficients are equal to the standard pseudo-multipoles calculated for the apodized sky maps of the Stokes parameters Q and U subsequently corrected by so-called counterterms. If the applied apodizations fullfill certain boundary conditions, these multipoles correspond to the pure multipoles. Pure multipoles of one type, i.e., either E or B, are ensured not to contain contributions from the other one, at least to within numerical artifacts. They can be therefore further used in the estimation of the sky power spectra via the pseudo power spectrum technique, which has to however correctly account for the applied apodization on the one hand, and the presence of the counterterms, on the other. In addition, the package contains the routines permitting calculation of the spin-weighted apodizations, given an input scalar, i.e., spin-0 window. The former are needed to compute the counterterms. It also provides routines for maps and window manipulations. The routines are written in C and based on the S2HAT library, which is used to perform all required spherical harmonic transforms as well as all inter-processor communication. They are therefore parallelized using MPI and follow the distributed-memory computational model. The data distribution patterns, pixelization choices, conventions etc are all as those assumed/allowed by the S2HAT library.

Apparatus and method of dissociating ions in a multipole ion guide

DOEpatents

Webb, Ian K.; Tang, Keqi; Smith, Richard D.; Ibrahim, Yehia M.; Anderson, Gordon A.

2014-07-08

A method of dissociating ions in a multipole ion guide is disclosed. A stream of charged ions is supplied to the ion guide. A main RF field is applied to the ion guide to confine the ions through the ion guide. An excitation RF field is applied to one pair of rods of the ion guide. The ions undergo dissociation when the applied excitation RF field is resonant with a secular frequency of the ions. The multipole ion guide is, but not limited to, a quadrupole, a hexapole, and an octopole.

Strong Evidence for Nucleon Resonances near 1900 MeV

DOE PAGES

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; ...

2017-08-11

Data on the reaction yp→K +A from the CLAS experiments are used to derive the leading multipoles, E 0+, M 1-, E 1+, and M 1+, from the production threshold to 2180 MeV in 24 slices of the invariant mass. The four multipoles are determined without any constraints. The multipoles are fitted using a multichannel L+P model that allows us to search for singularities and to extract the positions of poles on the complex energy plane in an almost model-independent method. The multipoles are also used as additional constraints in an energy-dependent analysis of a large body of pion andmore » photoinduced reactions within the Bonn-Gatchina partial wave analysis. The study confirms the existence of poles due to nucleon resonances with spin parity J P=1/2 -, 1/2 +, and 3/2 + in the region at about 1.9 GeV.« less

Ab initio study of the electrostatic multipole nature of torsional potentials in CH3SSCH3, CH3SSH, and HOOH

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Lai, J.; Luo, N.; Sun, S.; Shibata, M.; Ornstein, R.; Rein, R.

1991-01-01

The origin of torsional potentials in H3CSSCH3, H3CSSH, and HOOH and the anisotropy of the local charge distribution has been analyzed in terms of atomic multipoles calculated from the ab initio LCAO-MO-SCF wave function in the 6-31G* basis set. The results indicate that for longer -S-S-bonds the major contribution to these torsional barriers are electrostatic interactions of the atomic multipoles located on two atoms forming the rotated bond. This finding demonstrates the important role of electrostatic 1-2 interatomic interactions, usually neglected in conformational studies. It also opens the possibility to derive directly from accurate ab initio wave functions a simple nonempirical torsional potential involving atomic multipoles of two bonded atoms defining the torsional angle. For shorter -O-O- bonds, use of more precise models and inclusion of 1-3 interactions seems to be necessary.

Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Keller, D. A.; Ornstein, R. L.; Rein, R.

1993-01-01

The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off-center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for N-acetyl, N'-methylamide-blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. The role of the correlation effects in the peptide molecular charge distribution are discussed.

Strong Evidence for Nucleon Resonances near 1900 MeV

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; Ireland, D. G.; Klempt, E.; Nikonov, V. A.; Omerović, R.; Osmanović, H.; Sarantsev, A. V.; Stahov, J.; Švarc, A.; Thoma, U.

2017-08-01

Data on the reaction γ p →K+Λ from the CLAS experiments are used to derive the leading multipoles, E0 +, M1 -, E1 +, and M1 +, from the production threshold to 2180 MeV in 24 slices of the invariant mass. The four multipoles are determined without any constraints. The multipoles are fitted using a multichannel L +P model that allows us to search for singularities and to extract the positions of poles on the complex energy plane in an almost model-independent method. The multipoles are also used as additional constraints in an energy-dependent analysis of a large body of pion and photoinduced reactions within the Bonn-Gatchina partial wave analysis. The study confirms the existence of poles due to nucleon resonances with spin parity JP=1 /2- , 1 /2+ , and 3 /2+ in the region at about 1.9 GeV.

Tunable multipole resonances in plasmonic crystals made by four-beam holographic lithography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Y.; Li, X.; Zhang, X.

2016-02-01

Plasmonic nanostructures confine light to sub-wavelength scales, resulting in drastically enhanced light-matter interactions. Recent interest has focused on controlled symmetry breaking to create higher-order multipole plasmonic modes that store electromagnetic energy more efficiently than dipole modes. Here we demonstrate that four-beam holographic lithography enables fabrication of large-area plasmonic crystals with near-field coupled plasmons as well as deliberately broken symmetry to sustain multipole modes and Fano-resonances. Compared with the spectrally broad dipole modes we demonstrate an order of magnitude improved Q-factors (Q = 21) when the quadrupole mode is activated. We further demonstrate continuous tuning of the Fano-resonances using the polarization state ofmore » the incident light beam. The demonstrated technique opens possibilities to extend the rich physics of multipole plasmonic modes to wafer-scale applications that demand low-cost and high-throughput.« less

Rare-Earth Fourth-Order Multipole Moment in Cubic ErCo2 Probed by Linear Dichroism in Core-Level Photoemission

NASA Astrophysics Data System (ADS)

Abozeed, Amina A.; Kadono, Toshiharu; Sekiyama, Akira; Fujiwara, Hidenori; Higashiya, Atsushi; Yamasaki, Atsushi; Kanai, Yuina; Yamagami, Kohei; Tamasaku, Kenji; Yabashi, Makina; Ishikawa, Tetsuya; Andreev, Alexander V.; Wada, Hirofumi; Imada, Shin

2018-03-01

We developed a method to experimentally quantify the fourth-order multipole moment of the rare-earth 4f orbital. Linear dichroism (LD) in the Er 3d5/2 core-level photoemission spectra of cubic ErCo2 was measured using bulk-sensitive hard X-ray photoemission spectroscopy. Theoretical calculation reproduced the observed LD, and the result showed that the observed result does not contradict the suggested Γ 83 ground state. Theoretical calculation further showed a linear relationship between the LD size and the size of the fourth-order multipole moment of the Er3+ ion, which is proportional to the expectation value < O40 + 5O44> , where Onm are the Stevens operators. These analyses indicate that the LD in 3d photoemission spectra can be used to quantify the average fourth-order multipole moment of rare-earth atoms in a cubic crystal electric field.

Electron beam control for barely separated beams

DOEpatents

Douglas, David R.; Ament, Lucas J. P.

2017-04-18

A method for achieving independent control of multiple beams in close proximity to one another, such as in a multi-pass accelerator where coaxial beams are at different energies, but moving on a common axis, and need to be split into spatially separated beams for efficient recirculation transport. The method for independent control includes placing a magnet arrangement in the path of the barely separated beams with the magnet arrangement including at least two multipole magnets spaced closely together and having a multipole distribution including at least one odd multipole and one even multipole. The magnetic fields are then tuned to cancel out for a first of the barely separated beams to allow independent control of the second beam with common magnets. The magnetic fields may be tuned to cancel out either the dipole component or tuned to cancel out the quadrupole component in order to independently control the separate beams.

Measurement of the generalized form factors near threshold via γ*p→nπ+ at high Q2

NASA Astrophysics Data System (ADS)

Park, K.; Gothe, R. W.; Adhikari, K. P.; Adikaram, D.; Anghinolfi, M.; Baghdasaryan, H.; Ball, J.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Bennett, R. P.; Biselli, A. S.; Bookwalter, C.; Boiarinov, S.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Daniel, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fradi, A.; Gabrielyan, M. Y.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gohn, W.; Golovatch, E.; Graham, L.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Heddle, D.; Hicks, K.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jo, H. S.; Joo, K.; Kalantarians, N.; Khandaker, M.; Khetarpal, P.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Kubarovsky, A.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Kvaltine, N. D.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Mestayer, M. D.; Meyer, C. A.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Moutarde, H.; Munevar, E.; Nadel-Turonski, P.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Pappalardo, L.; Paremuzyan, R.; Park, S.; Pereira, S. Anefalos; Phelps, E.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Ricco, G.; Rimal, D.; Ripani, M.; Ritchie, B. G.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seraydaryan, H.; Sharabian, Y. G.; Smith, E. S.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tang, W.; Taylor, C. E.; Tian, Y.; Tkachenko, S.; Trivedi, A.; Ungaro, M.; Vernarsky, B.; Vlassov, A. V.; Voutier, E.; Watts, D. P.; Weygand, D. P.; Wood, M. H.; Zachariou, N.; Zhao, B.; Zhao, Z. W.

2012-03-01

We report the first extraction of the pion-nucleon multipoles near the production threshold for the nπ+ channel at relatively high momentum transfer (Q2 up to 4.2 GeV2). The dominance of the s-wave transverse multipole (E0+), expected in this region, allowed us to access the generalized form factor G1 within the light-cone sum-rule (LCSR) framework as well as the axial form factor GA. The data analyzed in this work were collected by the nearly 4π CEBAF Large Acceptance Spectrometer (CLAS) using a 5.754-GeV electron beam on a proton target. The differential cross section and the π-N multipole E0+/GD were measured using two different methods, the LCSR and a direct multipole fit. The results from the two methods are found to be consistent and almost Q2 independent.

Large-scale galactic motions: test of the Dipole Repeller model with the RFGC galaxies data

NASA Astrophysics Data System (ADS)

Parnovsky, S.

2017-06-01

The paper "The Dipole Repeller" in Nature Astronomy by Hoffman et al. state that the local large-scale galactic flow is dominated by a single attractor - associated with the Shapley Concentration - and a single previously unidentified repeller. We check this hypothesis using the data for 1459 galaxies from RFGC catalogue with distances up to 100 h-1 Mpc. We compared the models with multipole velocity field for pure Hubble expansion and dipole, quadrupole and octopole motion with the models with two attractors in the regions indicated by Hoffman et al with the multipole velocity field background. The results do not support the hypothesis, but does not contradict it. In any case, the inclusion of the following multipole is more effective than the addition of two attractors. Estimations of excess mass of attractors vary greatly, even changing their sign depending on the highest multipole used in model.

Visual Multipoles And The Assessment Of Visual Sensitivity To Displayed Images

NASA Astrophysics Data System (ADS)

Klein, Stanley A.

1989-08-01

The contrast sensitivity function (CSF) is widely used to specify the sensitivity of the visual system. Each point of the CSF specifies the amount of contrast needed to detect a sinusoidal grating of a given spatial frequency. This paper describes a set of five mathematically related visual patterns, called "multipoles," that should replace the CSF for measuring visual performance. The five patterns (ramp, edge, line, dipole and quadrupole) are localized in space rather than being spread out as sinusoidal gratings. The multipole sensitivity of the visual system provides an alternative characterization that complements the CSF in addition to offering several advantages. This paper provides an overview of the properties and uses of the multipole stimuli. This paper is largely a summary of several unpublished manuscripts with excerpts from them. Derivations and full references are omitted here. Please write me if you would like the full manuscripts.

Error and Complexity Analysis for a Collocation-Grid-Projection Plus Precorrected-FFT Algorithm for Solving Potential Integral Equations with LaPlace or Helmholtz Kernels

NASA Technical Reports Server (NTRS)

Phillips, J. R.

1996-01-01

In this paper we derive error bounds for a collocation-grid-projection scheme tuned for use in multilevel methods for solving boundary-element discretizations of potential integral equations. The grid-projection scheme is then combined with a precorrected FFT style multilevel method for solving potential integral equations with 1/r and e(sup ikr)/r kernels. A complexity analysis of this combined method is given to show that for homogeneous problems, the method is order n natural log n nearly independent of the kernel. In addition, it is shown analytically and experimentally that for an inhomogeneity generated by a very finely discretized surface, the combined method slows to order n(sup 4/3). Finally, examples are given to show that the collocation-based grid-projection plus precorrected-FFT scheme is competitive with fast-multipole algorithms when considering realistic problems and 1/r kernels, but can be used over a range of spatial frequencies with only a small performance penalty.

Bright-type and dark-type vector solitons of the (2 + 1)-dimensional spatially modulated quintic nonlinear Schrödinger equation in nonlinear optics and Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Wu, Hong-Yu; Jiang, Li-Hong

2018-03-01

We study a (2 + 1) -dimensional N -coupled quintic nonlinear Schrödinger equation with spatially modulated nonlinearity and transverse modulation in nonlinear optics and Bose-Einstein condensate, and obtain bright-type and dark-type vector multipole as well as vortex soliton solutions. When the modulation depth q is fixed as 0 and 1, we can construct vector multipole and vortex solitons, respectively. Based on these solutions, we investigate the form and phase characteristics of vector multipole and vortex solitons.

Newman-Penrose constants of the Kerr-Newman metric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong Xuefei; Shang Yu; Bai Shan

The Newman-Unti formalism of the Kerr-Newman metric near future null infinity is developed, with which the Newman-Penrose constants for both the gravitational and electromagnetic fields of the Kerr-Newman metric are computed and shown to be zero. The multipole structure near future null infinity in the sense of Janis-Newman of the Kerr-Newman metric is then further studied. It is found that up to the 2{sup 4}-pole, modulo a constant dependent upon the order of the pole, these multipole moments agree with those of Geroch-Hansen multipole moments defined at spatial infinity.

Multipole-Based Cable Braid Electromagnetic Penetration Model: Electric Penetration Case

DOE PAGES

Campione, Salvatore; Warne, Larry K.; Langston, William L.; ...

2017-07-11

In this paper, we investigate the electric penetration case of the first principles multipole-based cable braid electromagnetic penetration model reported in the Progress in Electromagnetics Research B 66, 63–89 (2016). We first analyze the case of a 1-D array of wires: this is a problem which is interesting on its own, and we report its modeling based on a multipole-conformal mapping expansion and extension by means of Laplace solutions in bipolar coordinates. We then compare the elastance (inverse of capacitance) results from our first principles cable braid electromagnetic penetration model to that obtained using the multipole-conformal mapping bipolar solution. Thesemore » results are found in a good agreement up to a radius to half spacing ratio of 0.6, demonstrating a robustness needed for many commercial cables. We then analyze realistic cable implementations without dielectrics and compare the results from our first principles braid electromagnetic penetration model to the semiempirical results reported by Kley in the IEEE Transactions on Electromagnetic Compatibility 35, 1–9 (1993). Finally, although we find results on the same order of magnitude of Kley's results, the full dependence on the actual cable geometry is accounted for only in our proposed multipole model which, in addition, enables us to treat perturbations from those commercial cables measured.« less

Multipole-Based Cable Braid Electromagnetic Penetration Model: Electric Penetration Case

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campione, Salvatore; Warne, Larry K.; Langston, William L.

In this paper, we investigate the electric penetration case of the first principles multipole-based cable braid electromagnetic penetration model reported in the Progress in Electromagnetics Research B 66, 63–89 (2016). We first analyze the case of a 1-D array of wires: this is a problem which is interesting on its own, and we report its modeling based on a multipole-conformal mapping expansion and extension by means of Laplace solutions in bipolar coordinates. We then compare the elastance (inverse of capacitance) results from our first principles cable braid electromagnetic penetration model to that obtained using the multipole-conformal mapping bipolar solution. Thesemore » results are found in a good agreement up to a radius to half spacing ratio of 0.6, demonstrating a robustness needed for many commercial cables. We then analyze realistic cable implementations without dielectrics and compare the results from our first principles braid electromagnetic penetration model to the semiempirical results reported by Kley in the IEEE Transactions on Electromagnetic Compatibility 35, 1–9 (1993). Finally, although we find results on the same order of magnitude of Kley's results, the full dependence on the actual cable geometry is accounted for only in our proposed multipole model which, in addition, enables us to treat perturbations from those commercial cables measured.« less

Modeling Organochlorine Compounds and the σ-Hole Effect Using a Polarizable Multipole Force Field

PubMed Central

2015-01-01

The charge distribution of halogen atoms on organochlorine compounds can be highly anisotropic and even display a so-called σ-hole, which leads to strong halogen bonds with electron donors. In this paper, we have systematically investigated a series of chloromethanes with one to four chloro substituents using a polarizable multipole-based molecular mechanics model. The atomic multipoles accurately reproduced the ab initio electrostatic potential around chloromethanes, including CCl4, which has a prominent σ-hole on the Cl atom. The van der Waals parameters for Cl were fitted to the experimental density and heat of vaporization. The calculated hydration free energy, solvent reaction fields, and interaction energies of several homo- and heterodimer of chloromethanes are in good agreement with experimental and ab initio data. This study suggests that sophisticated electrostatic models, such as polarizable atomic multipoles, are needed for accurate description of electrostatics in organochlorine compounds and halogen bonds, although further improvement is necessary for better transferability. PMID:24484473

Measurement of the generalized form factors near threshold via γ *p → nπ + at high Q 2

DOE PAGES

Park, K.; Adhikari, K. P.; Adikaram, D.; ...

2012-03-26

We report the first extraction of the pion-nucleon multipoles near the production threshold for the nπ + channel at relatively high momentum transfer (Q 2 up to 4.2 GeV 2). The dominance of the s-wave transverse multipole (E 0+), expected in this region, allowed us to access the generalized form factor G 1 within the light-cone sum rule (LCSR) framework as well as the axial form factor G A. The data analyzed in this work were collected by the nearly 4π CEBAF Large Acceptance Spectrometer (CLAS) using a 5.754-GeV electron beam on a proton target. The differential cross section andmore » the π-N multipole E 0+/G D were measured using two different methods, the LCSR and a direct multipole fit. The results from the two methods are found to be consistent and almost Q 2 independent.« less

Global Aspects of Charged Particle Motion in Axially Symmetric Multipole Magnetic Fields

NASA Technical Reports Server (NTRS)

Shebalin, John V.

2003-01-01

The motion of a single charged particle in the space outside of a compact region of steady currents is investigated. The charged particle is assumed to produce negligible electromagnetic radiation, so that its energy is conserved. The source of the magnetic field is represented as a point multipole. After a general description, attention is focused on magnetic fields with axial symmetry. Lagrangian dynamical theory is utilized to identify constants of the motion as well as the equations of motion themselves. The qualitative method of Stonner is used to examine charged particle motion in axisymmetric multipole fields of all orders. Although the equations of motion generally have no analytical solutions and must be integrated numerically to produce a specific orbit, a topological examination of dynamics is possible, and can be used, d la Stonner, to completely describe the global aspects of the motion of a single charged particle in a space with an axisymmetric multipole magnetic field.

Multipole gas thruster design. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Isaacson, G. C.

1977-01-01

The development of a low field strength multipole thruster operating on both argon and xenon is described. Experimental results were obtained with a 15-cm diameter multipole thruster and are presented for a wide range of discharge-chamber configurations. Minimum discharge losses were 300-350 eV/ion for argon and 200-250 eV/ion for xenon. Ion beam flatness parameters in the plane of the accelerator grid ranged from 0.85 to 0.93 for both propellants. Thruster performance is correlated for a range of ion chamber sizes and operating conditions as well as propellant type and accelerator system open area. A 30-cm diameter ion source designed and built using the procedure and theory presented here-in is shown capable of low discharge losses and flat ion-beam profiles without optimization. This indicates that by using the low field strength multipole design, as well as general performance correlation information provided herein, it should be possible to rapidly translate initial performance specifications into easily fabricated, high performance prototypes.

Polarization of Cosmic Microwave Background

NASA Astrophysics Data System (ADS)

Buzzelli, A.; Cabella, P.; de Gasperis, G.; Vittorio, N.

2016-02-01

In this work we present an extension of the ROMA map-making code for data analysis of Cosmic Microwave Background polarization, with particular attention given to the inflationary polarization B-modes. The new algorithm takes into account a possible cross- correlated noise component among the different detectors of a CMB experiment. We tested the code on the observational data of the BOOMERanG (2003) experiment and we show that we are provided with a better estimate of the power spectra, in particular the error bars of the BB spectrum are smaller up to 20% for low multipoles. We point out the general validity of the new method. A possible future application is the LSPE balloon experiment, devoted to the observation of polarization at large angular scales.

Emergent odd-parity multipoles and magnetoelectric effects on a diamond structure: Implication for the 5 d transition metal oxides A OsO4 (A =K ,Rb, and Cs)

NASA Astrophysics Data System (ADS)

Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

2018-01-01

We report our theoretical predictions on the linear magnetoelectric (ME) effects originating from odd-parity multipoles associated with spontaneous spin and orbital ordering on a diamond structure. We derive a two-orbital model for d electrons in eg orbitals by including the effective spin-orbit coupling which arises from the mixing between eg and t2 g orbitals. We show that the model acquires a net antisymmetric spin-orbit coupling once staggered spin and orbital orders occur spontaneously. The staggered orders are accompanied by odd-parity multipoles: magnetic monopole, quadrupoles, and toroidal dipoles. We classify the types of the odd-parity multipoles according to the symmetry of the spin and orbital orders. Furthermore, by computing the ME tensor using the linear response theory, we show that the staggered orders induce a variety of the linear ME responses. We elaborate all possible ME responses for each staggered order, which are useful to identify the order parameter and to detect the odd-parity multipoles by measuring the ME effects. We also elucidate the effect of lowering symmetry by a tetragonal distortion, which leads to richer ME responses. The implications of our results are discussed for the 5 d transition metal oxides, A OsO4 (A =K,Rb, and Cs) , in which the order parameters are not fully identified.

Effect of patient setup errors on simultaneously integrated boost head and neck IMRT treatment plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siebers, Jeffrey V.; Keall, Paul J.; Wu Qiuwen

2005-10-01

Purpose: The purpose of this study is to determine dose delivery errors that could result from random and systematic setup errors for head-and-neck patients treated using the simultaneous integrated boost (SIB)-intensity-modulated radiation therapy (IMRT) technique. Methods and Materials: Twenty-four patients who participated in an intramural Phase I/II parotid-sparing IMRT dose-escalation protocol using the SIB treatment technique had their dose distributions reevaluated to assess the impact of random and systematic setup errors. The dosimetric effect of random setup error was simulated by convolving the two-dimensional fluence distribution of each beam with the random setup error probability density distribution. Random setup errorsmore » of {sigma} = 1, 3, and 5 mm were simulated. Systematic setup errors were simulated by randomly shifting the patient isocenter along each of the three Cartesian axes, with each shift selected from a normal distribution. Systematic setup error distributions with {sigma} = 1.5 and 3.0 mm along each axis were simulated. Combined systematic and random setup errors were simulated for {sigma} = {sigma} = 1.5 and 3.0 mm along each axis. For each dose calculation, the gross tumor volume (GTV) received by 98% of the volume (D{sub 98}), clinical target volume (CTV) D{sub 90}, nodes D{sub 90}, cord D{sub 2}, and parotid D{sub 50} and parotid mean dose were evaluated with respect to the plan used for treatment for the structure dose and for an effective planning target volume (PTV) with a 3-mm margin. Results: Simultaneous integrated boost-IMRT head-and-neck treatment plans were found to be less sensitive to random setup errors than to systematic setup errors. For random-only errors, errors exceeded 3% only when the random setup error {sigma} exceeded 3 mm. Simulated systematic setup errors with {sigma} = 1.5 mm resulted in approximately 10% of plan having more than a 3% dose error, whereas a {sigma} = 3.0 mm resulted in half of the plans having more than a 3% dose error and 28% with a 5% dose error. Combined random and systematic dose errors with {sigma} = {sigma} = 3.0 mm resulted in more than 50% of plans having at least a 3% dose error and 38% of the plans having at least a 5% dose error. Evaluation with respect to a 3-mm expanded PTV reduced the observed dose deviations greater than 5% for the {sigma} = {sigma} = 3.0 mm simulations to 5.4% of the plans simulated. Conclusions: Head-and-neck SIB-IMRT dosimetric accuracy would benefit from methods to reduce patient systematic setup errors. When GTV, CTV, or nodal volumes are used for dose evaluation, plans simulated including the effects of random and systematic errors deviate substantially from the nominal plan. The use of PTVs for dose evaluation in the nominal plan improves agreement with evaluated GTV, CTV, and nodal dose values under simulated setup errors. PTV concepts should be used for SIB-IMRT head-and-neck squamous cell carcinoma patients, although the size of the margins may be less than those used with three-dimensional conformal radiation therapy.« less

Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

DOE PAGES

Zhang, Bo; Lu, Benzhuo; Cheng, Xiaolin; ...

2013-01-01

This paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver. We introduce and discuss the following components in order: the Poisson-Boltzmann model, boundary integral equation reformulation, surface mesh generation, the nodepatch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel operations. For each component, we also remark on feasible approaches for further improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. Lastly, the potential of the solver is demonstrated with preliminary numericalmore » results.« less

The fast multipole method and point dipole moment polarizable force fields.

PubMed

Coles, Jonathan P; Masella, Michel

2015-01-14

We present an implementation of the fast multipole method for computing Coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected O(N) scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using a standard integrator and a multiple time step integrator. Our tests show the applicability of fast multipole method combined with state-of-the-art chemical models in molecular dynamical systems.

Highly parallel demagnetization field calculation using the fast multipole method on tetrahedral meshes with continuous sources

NASA Astrophysics Data System (ADS)

Palmesi, P.; Exl, L.; Bruckner, F.; Abert, C.; Suess, D.

2017-11-01

The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Computational improvements can relieve problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. The novelty lies in extending FMM to linearly magnetized tetrahedral sources making it interesting also for other areas of computational physics. We treat the near field directly and in use (exact) numerical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.

Testing statistical isotropy in cosmic microwave background polarization maps

NASA Astrophysics Data System (ADS)

Rath, Pranati K.; Samal, Pramoda Kumar; Panda, Srikanta; Mishra, Debesh D.; Aluri, Pavan K.

2018-04-01

We apply our symmetry based Power tensor technique to test conformity of PLANCK Polarization maps with statistical isotropy. On a wide range of angular scales (l = 40 - 150), our preliminary analysis detects many statistically anisotropic multipoles in foreground cleaned full sky PLANCK polarization maps viz., COMMANDER and NILC. We also study the effect of residual foregrounds that may still be present in the Galactic plane using both common UPB77 polarization mask, as well as the individual component separation method specific polarization masks. However, some of the statistically anisotropic modes still persist, albeit significantly in NILC map. We further probed the data for any coherent alignments across multipoles in several bins from the chosen multipole range.

Identifying the Development in Phase and Amplitude of Dipole and Multipole Radiation

ERIC Educational Resources Information Center

Rice, E. M.; Bradshaw, D. S.; Saadi, K.; Andrews, D. L.

2012-01-01

The spatial variation in phase and the propagating wave-front of plane wave electromagnetic radiation are widely familiar text-book territory. In contrast, the developing amplitude and phase of radiation emitted by a dipole or multipole source generally receive less attention, despite the prevalence of these systems. There is additional complexity…

Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system.

PubMed

Fukuda, Ikuo

2013-11-07

The zero-multipole summation method has been developed to efficiently evaluate the electrostatic Coulombic interactions of a point charge system. This summation prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large amounts of energetic noise and significant artifacts. The resulting energy function is represented by a constant term plus a simple pairwise summation, using a damped or undamped Coulombic pair potential function along with a polynomial of the distance between each particle pair. Thus, the implementation is straightforward and enables facile applications to high-performance computations. Any higher-order multipole moment can be taken into account in the neutrality principle, and it only affects the degree and coefficients of the polynomial and the constant term. The lowest and second moments correspond respectively to the Wolf zero-charge scheme and the zero-dipole summation scheme, which was previously proposed. Relationships with other non-Ewald methods are discussed, to validate the current method in their contexts. Good numerical efficiencies were easily obtained in the evaluation of Madelung constants of sodium chloride and cesium chloride crystals.

The electron-spin--nuclear-spin interaction studied by polarized neutron scattering.

PubMed

Stuhrmann, Heinrich B

2007-11-01

Dynamic nuclear spin polarization (DNP) is mediated by the dipolar interaction of paramagnetic centres with nuclear spins. This process is most likely to occur near paramagnetic centres at an angle close to 45 degrees with respect to the direction of the external magnetic field. The resulting distribution of polarized nuclear spins leads to an anisotropy of the polarized neutron scattering pattern, even with randomly oriented radical molecules. The corresponding cross section of polarized coherent neutron scattering in terms of a multipole expansion is derived for radical molecules in solution. An application using data of time-resolved polarized neutron scattering from an organic chromium(V) molecule is tested.

Multipole Vector Anomalies in the First-Year WMAP Data: A Cut-Sky Analysis

NASA Astrophysics Data System (ADS)

Bielewicz, P.; Eriksen, H. K.; Banday, A. J.; Górski, K. M.; Lilje, P. B.

2005-12-01

We apply the recently defined multipole vector framework to the frequency-specific first-year WMAP sky maps, estimating the low-l multipole coefficients from the high-latitude sky by means of a power equalization filter. While most previous analyses of this type have considered only heavily processed (and foreground-contaminated) full-sky maps, the present approach allows for greater control of residual foregrounds and therefore potentially also for cosmologically important conclusions. The low-l spherical harmonic coefficients and corresponding multipole vectors are tabulated for easy reference. Using this formalism, we reassess a set of earlier claims of both cosmological and noncosmological low-l correlations on the basis of multipole vectors. First, we show that the apparent l=3 and 8 correlation claimed by Copi and coworkers is present only in the heavily processed map produced by Tegmark and coworkers and must therefore be considered an artifact of that map. Second, the well-known quadrupole-octopole correlation is confirmed at the 99% significance level and shown to be robust with respect to frequency and sky cut. Previous claims are thus supported by our analysis. Finally, the low-l alignment with respect to the ecliptic claimed by Schwarz and coworkers is nominally confirmed in this analysis, but also shown to be very dependent on severe a posteriori choices. Indeed, we show that given the peculiar quadrupole-octopole arrangement, finding such a strong alignment with the ecliptic is not unusual.

Single molecule counting and assessment of random molecular tagging errors with transposable giga-scale error-correcting barcodes.

PubMed

Lau, Billy T; Ji, Hanlee P

2017-09-21

RNA-Seq measures gene expression by counting sequence reads belonging to unique cDNA fragments. Molecular barcodes commonly in the form of random nucleotides were recently introduced to improve gene expression measures by detecting amplification duplicates, but are susceptible to errors generated during PCR and sequencing. This results in false positive counts, leading to inaccurate transcriptome quantification especially at low input and single-cell RNA amounts where the total number of molecules present is minuscule. To address this issue, we demonstrated the systematic identification of molecular species using transposable error-correcting barcodes that are exponentially expanded to tens of billions of unique labels. We experimentally showed random-mer molecular barcodes suffer from substantial and persistent errors that are difficult to resolve. To assess our method's performance, we applied it to the analysis of known reference RNA standards. By including an inline random-mer molecular barcode, we systematically characterized the presence of sequence errors in random-mer molecular barcodes. We observed that such errors are extensive and become more dominant at low input amounts. We described the first study to use transposable molecular barcodes and its use for studying random-mer molecular barcode errors. Extensive errors found in random-mer molecular barcodes may warrant the use of error correcting barcodes for transcriptome analysis as input amounts decrease.

Multipole models of four-image gravitational lenses with anomalous flux ratios

NASA Astrophysics Data System (ADS)

Congdon, Arthur B.; Keeton, Charles R.

2005-12-01

It has been known for over a decade that many four-image gravitational lenses exhibit anomalous radio flux ratios. These anomalies can be explained by adding a clumpy cold dark matter (CDM) component to the background galactic potential of the lens. As an alternative, Evans & Witt (2003) recently suggested that smooth multipole perturbations provide a reasonable alternative to CDM substructure in some but not all cases. We generalize their method in two ways so as to determine whether multipole models can explain highly anomalous systems. We carry the multipole expansion to higher order, and also include external tidal shear as a free parameter. Fitting for the shear proves crucial to finding a physical (positive-definite density) model. For B1422+231, working to order kmax= 5 (and including shear) yields a model that is physical but implausible. Going to higher order (kmax>~ 9) reduces global departures from ellipticity, but at the cost of introducing small-scale wiggles in proximity to the bright images. These localized undulations are more pronounced in B2045+265, where kmax~ 17 multipoles are required to smooth out large-scale deviations from elliptical symmetry. Such modes surely cannot be taken at face value; they must indicate that the models are trying to reproduce some other sort of structure. Our formalism naturally finds models that fit the data exactly, but we use B0712+472 to show that measurement uncertainties have little effect on our results. Finally, we consider the system B1933+503, where two sources are lensed by the same foreground galaxy. The additional constraints provided by the images of the second source render the multipole model unphysical. We conclude that external shear must be taken into account to obtain plausible models, and that a purely smooth angular structure for the lens galaxy does not provide a viable alternative to the prevailing CDM clump hypothesis.

Technical Note: Introduction of variance component analysis to setup error analysis in radiotherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuo, Yukinori, E-mail: ymatsuo@kuhp.kyoto-u.ac.

Purpose: The purpose of this technical note is to introduce variance component analysis to the estimation of systematic and random components in setup error of radiotherapy. Methods: Balanced data according to the one-factor random effect model were assumed. Results: Analysis-of-variance (ANOVA)-based computation was applied to estimate the values and their confidence intervals (CIs) for systematic and random errors and the population mean of setup errors. The conventional method overestimates systematic error, especially in hypofractionated settings. The CI for systematic error becomes much wider than that for random error. The ANOVA-based estimation can be extended to a multifactor model considering multiplemore » causes of setup errors (e.g., interpatient, interfraction, and intrafraction). Conclusions: Variance component analysis may lead to novel applications to setup error analysis in radiotherapy.« less

The QUIET Instrument

NASA Technical Reports Server (NTRS)

Gaier, T.; Kangaslahti, P.; Lawrence, C. R.; Leitch, E. M.; Wollack, E. J.

2012-01-01

The Q/U Imaging ExperimenT (QUIET) is designed to measure polarization in the Cosmic Microwave Background, targeting the imprint of inflationary gravitational waves at large angular scales ( approx 1 deg.) . Between 2008 October and 2010 December, two independent receiver arrays were deployed sequentially on a 1.4 m side-fed Dragonian telescope. The polarimeters which form the focal planes use a highly compact design based on High Electron Mobility Transistors (HEMTs) that provides simultaneous measurements of the Stokes parameters Q, U, and I in a single module. The 17-element Q-band polarimeter array, with a central frequency of 43.1 GHz, has the best sensitivity (69 micro Ks(exp 1/2)) and the lowest instrumental systematic errors ever achieved in this band, contributing to the tensor-to-scalar ratio at r < 0.1. The 84-element W-band polarimeter array has a sensitivity of 87 micro Ks(exp 1/2) at a central frequency of 94.5 GHz. It has the lowest systematic errors to date, contributing at r < 0.01 (QUIET Collaboration 2012) The two arrays together cover multipoles in the range l approximately equals 25-975 . These are the largest HEMT-ba.sed arrays deployed to date. This article describes the design, calibration, performance of, and sources of systematic error for the instrument,

Infrared/microwave (IR/MW) micromirror array beam combiner design and analysis.

PubMed

Tian, Yi; Lv, Lijun; Jiang, Liwei; Wang, Xin; Li, Yanhong; Yu, Haiming; Feng, Xiaochen; Li, Qi; Zhang, Li; Li, Zhuo

2013-08-01

We investigated the design method of an infrared (IR)/microwave (MW) micromirror array type of beam combiner. The size of micromirror is in microscopic levels and comparable to MW wavelengths, so that the MW will not react in these dimensions, whereas the much shorter optical wavelengths will be reflected by them. Hence, the MW multilayered substrate was simplified and designed using transmission line theory. The beam combiner used an IR wavefront-division imaging technique to reflect the IR radiation image to the unit under test (UUT)'s pupil in a parallel light path. In addition, the boresight error detected by phase monopulse radar was analyzed using a moment-of method (MoM) and multilevel fast multipole method (MLFMM) acceleration technique. The boresight error introduced by the finite size of the beam combiner was less than 1°. Finally, in order to verify the wavefront-division imaging technique, a prototype of a micromirror array was fabricated, and IR images were tested. The IR images obtained by the thermal imager verified the correctness of the wavefront-division imaging technique.

Earth's rotation in the framework of general relativity: rigid multipole moments

NASA Astrophysics Data System (ADS)

Klioner, S. A.; Soffel, M.; Xu, Ch.; Wu, X.

A set of equations describing the rotational motion of the Earth relative to the GCRS is formulated in the approximation of rigidly rotating multipoles. The external bodies are supposed to be mass monopoles. The derived set of formulas is supposed to form the theoretical basis for a practical post-Newtonian theory of Earth precession and nutation.

Error sensitivity analysis in 10-30-day extended range forecasting by using a nonlinear cross-prediction error model

NASA Astrophysics Data System (ADS)

Xia, Zhiye; Xu, Lisheng; Chen, Hongbin; Wang, Yongqian; Liu, Jinbao; Feng, Wenlan

2017-06-01

Extended range forecasting of 10-30 days, which lies between medium-term and climate prediction in terms of timescale, plays a significant role in decision-making processes for the prevention and mitigation of disastrous meteorological events. The sensitivity of initial error, model parameter error, and random error in a nonlinear crossprediction error (NCPE) model, and their stability in the prediction validity period in 10-30-day extended range forecasting, are analyzed quantitatively. The associated sensitivity of precipitable water, temperature, and geopotential height during cases of heavy rain and hurricane is also discussed. The results are summarized as follows. First, the initial error and random error interact. When the ratio of random error to initial error is small (10-6-10-2), minor variation in random error cannot significantly change the dynamic features of a chaotic system, and therefore random error has minimal effect on the prediction. When the ratio is in the range of 10-1-2 (i.e., random error dominates), attention should be paid to the random error instead of only the initial error. When the ratio is around 10-2-10-1, both influences must be considered. Their mutual effects may bring considerable uncertainty to extended range forecasting, and de-noising is therefore necessary. Second, in terms of model parameter error, the embedding dimension m should be determined by the factual nonlinear time series. The dynamic features of a chaotic system cannot be depicted because of the incomplete structure of the attractor when m is small. When m is large, prediction indicators can vanish because of the scarcity of phase points in phase space. A method for overcoming the cut-off effect ( m > 4) is proposed. Third, for heavy rains, precipitable water is more sensitive to the prediction validity period than temperature or geopotential height; however, for hurricanes, geopotential height is most sensitive, followed by precipitable water.

Point charge representation of multicenter multipole moments in calculation of electrostatic properties

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

1993-01-01

Distributed Point Charge Models (PCM) for CO, (H2O)2, and HS-SH molecules have been computed from analytical expressions using multi-center multipole moments. The point charges (set of charges including both atomic and non-atomic positions) exactly reproduce both molecular and segmental multipole moments, thus constituting an accurate representation of the local anisotropy of electrostatic properties. In contrast to other known point charge models, PCM can be used to calculate not only intermolecular, but also intramolecular interactions. Comparison of these results with more accurate calculations demonstrated that PCM can correctly represent both weak and strong (intramolecular) interactions, thus indicating the merit of extending PCM to obtain improved potentials for molecular mechanics and molecular dynamics computational methods.

Electrostatic attraction between neutral microdroplets by ion fluctuations

NASA Astrophysics Data System (ADS)

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P2z >2 r-6 , dipole-quadrupole < P2z > < Q 2zz > r-8 , dipole-octupole < P2z > < O 2zzz > r-10 , and quadrupole-quadrupole interactions < Q 2zz >2 r-10 . The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Electrostatic attraction between neutral microdroplets by ion fluctuations.

PubMed

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P(2)(z) >(2) r(-6), dipole-quadrupole < P(2)(z) > < Q (2)(zz ) > r(-8), dipole-octupole < P(2)(z) > < O (2)(zzz ) > r(-10), and quadrupole-quadrupole interactions < Q (2)(zz ) >(2) r(-10). The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Planck 2013 results. XVI. Cosmological parameters

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Armitage-Caplan, C.; Arnaud, M.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bobin, J.; Bock, J. J.; Bonaldi, A.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Bridges, M.; Bucher, M.; Burigana, C.; Butler, R. C.; Calabrese, E.; Cappellini, B.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.-R.; Chen, X.; Chiang, H. C.; Chiang, L.-Y.; Christensen, P. R.; Church, S.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.-M.; Désert, F.-X.; Dickinson, C.; Diego, J. M.; Dolag, K.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Gaier, T. C.; Galeotta, S.; Galli, S.; Ganga, K.; Giard, M.; Giardino, G.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Haissinski, J.; Hamann, J.; Hansen, F. K.; Hanson, D.; Harrison, D.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Hou, Z.; Hovest, W.; Huffenberger, K. M.; Jaffe, A. H.; Jaffe, T. R.; Jewell, J.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lähteenmäki, A.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Laureijs, R. J.; Lawrence, C. R.; Leach, S.; Leahy, J. P.; Leonardi, R.; León-Tavares, J.; Lesgourgues, J.; Lewis, A.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Maino, D.; Mandolesi, N.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Massardi, M.; Matarrese, S.; Matthai, F.; Mazzotta, P.; Meinhold, P. R.; Melchiorri, A.; Melin, J.-B.; Mendes, L.; Menegoni, E.; Mennella, A.; Migliaccio, M.; Millea, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Moss, A.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Nørgaard-Nielsen, H. U.; Noviello, F.; Novikov, D.; Novikov, I.; O'Dwyer, I. J.; Osborne, S.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paladini, R.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Pearson, D.; Pearson, T. J.; Peiris, H. V.; Perdereau, O.; Perotto, L.; Perrotta, F.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Platania, P.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Popa, L.; Poutanen, T.; Pratt, G. W.; Prézeau, G.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reach, W. T.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rowan-Robinson, M.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Seiffert, M. D.; Shellard, E. P. S.; Spencer, L. D.; Starck, J.-L.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sunyaev, R.; Sureau, F.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Tavagnacco, D.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Tuovinen, J.; Türler, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Vittorio, N.; Wade, L. A.; Wandelt, B. D.; Wehus, I. K.; White, M.; White, S. D. M.; Wilkinson, A.; Yvon, D.; Zacchei, A.; Zonca, A.

2014-11-01

This paper presents the first cosmological results based on Planck measurements of the cosmic microwave background (CMB) temperature and lensing-potential power spectra. We find that the Planck spectra at high multipoles (ℓ ≳ 40) are extremely well described by the standard spatially-flat six-parameter ΛCDM cosmology with a power-law spectrum of adiabatic scalar perturbations. Within the context of this cosmology, the Planck data determine the cosmological parameters to high precision: the angular size of the sound horizon at recombination, the physical densities of baryons and cold dark matter, and the scalar spectral index are estimated to be θ∗ = (1.04147 ± 0.00062) × 10-2, Ωbh2 = 0.02205 ± 0.00028, Ωch2 = 0.1199 ± 0.0027, and ns = 0.9603 ± 0.0073, respectively(note that in this abstract we quote 68% errors on measured parameters and 95% upper limits on other parameters). For this cosmology, we find a low value of the Hubble constant, H0 = (67.3 ± 1.2) km s-1 Mpc-1, and a high value of the matter density parameter, Ωm = 0.315 ± 0.017. These values are in tension with recent direct measurements of H0 and the magnitude-redshift relation for Type Ia supernovae, but are in excellent agreement with geometrical constraints from baryon acoustic oscillation (BAO) surveys. Including curvature, we find that the Universe is consistent with spatial flatness to percent level precision using Planck CMB data alone. We use high-resolution CMB data together with Planck to provide greater control on extragalactic foreground components in an investigation of extensions to the six-parameter ΛCDM model. We present selected results from a large grid of cosmological models, using a range of additional astrophysical data sets in addition to Planck and high-resolution CMB data. None of these models are favoured over the standard six-parameter ΛCDM cosmology. The deviation of the scalar spectral index from unity isinsensitive to the addition of tensor modes and to changes in the matter content of the Universe. We find an upper limit of r0.002< 0.11 on the tensor-to-scalar ratio. There is no evidence for additional neutrino-like relativistic particles beyond the three families of neutrinos in the standard model. Using BAO and CMB data, we find Neff = 3.30 ± 0.27 for the effective number of relativistic degrees of freedom, and an upper limit of 0.23 eV for the sum of neutrino masses. Our results are in excellent agreement with big bang nucleosynthesis and the standard value of Neff = 3.046. We find no evidence for dynamical dark energy; using BAO and CMB data, the dark energy equation of state parameter is constrained to be w = -1.13-0.10+0.13. We also use the Planck data to set limits on a possible variation of the fine-structure constant, dark matter annihilation and primordial magnetic fields. Despite the success of the six-parameter ΛCDM model in describing the Planck data at high multipoles, we note that this cosmology does not provide a good fit to the temperature power spectrum at low multipoles. The unusual shape of the spectrum in the multipole range 20 ≲ ℓ ≲ 40 was seen previously in the WMAP data and is a real feature of the primordial CMB anisotropies. The poor fit to the spectrum at low multipoles is not of decisive significance, but is an "anomaly" in an otherwise self-consistent analysis of the Planck temperature data.

Role of higher-multipole deformations in exotic {sup 14}C cluster radioactivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sawhney, Gudveen; Sharma, Manoj K.; Gupta, Raj K.

2011-06-15

We have studied nine cases of spontaneous emission of {sup 14}C clusters in the ground-state decays of the same number of parent nuclei from the trans-lead region, specifically from {sup 221}Fr to {sup 226}Th, using the preformed cluster model (PCM) of Gupta and collaborators, with choices of spherical, quadrupole deformation ({beta}{sub 2}) alone, and higher-multipole deformations ({beta}{sub 2}, {beta}{sub 3}, {beta}{sub 4}) with cold ''compact'' orientations {theta}{sup c} of decay products. The calculated {sup 14}C cluster decay half-life times are found to be in nice agreement with experimental data only for the case of higher-multipole deformations ({beta}{sub 2}-{beta}{sub 4}) andmore » {theta}{sup c} orientations of cold elongated configurations. In other words, compared to our earlier study of clusters heavier than {sup 14}C, where the inclusion of {beta}{sub 2} alone, with ''optimum'' orientations, was found to be enough to give the best comparison with data, here for {sup 14}C cluster decay the inclusion of higher-multipole deformations (up to hexadecapole), together with {theta}{sup c} orientations, is found to be essential on the basis of the PCM. Interestingly, whereas both the penetration probability and assault frequency work simply as scaling factors, the preformation probability is strongly influenced by the order of multipole deformations and orientations of nuclei. The possible role of Q value and angular-momentum effects are also considered in reference to {sup 14}C cluster radioactivity.« less

The Analysis of Likert Scales Using State Multipoles: An Application of Quantum Methods to Behavioral Sciences Data

ERIC Educational Resources Information Center

Camparo, James; Camparo, Lorinda B.

2013-01-01

Though ubiquitous, Likert scaling's traditional mode of analysis is often unable to uncover all of the valid information in a data set. Here, the authors discuss a solution to this problem based on methodology developed by quantum physicists: the state multipole method. The authors demonstrate the relative ease and value of this method by…

TMFF-A Two-Bead Multipole Force Field for Coarse-Grained Molecular Dynamics Simulation of Protein.

PubMed

Li, Min; Liu, Fengjiao; Zhang, John Z H

2016-12-13

Coarse-grained (CG) models are desirable for studying large and complex biological systems. In this paper, we propose a new two-bead multipole force field (TMFF) in which electric multipoles up to the quadrupole are included in the CG force field. The inclusion of electric multipoles in the proposed CG force field enables a more realistic description of the anisotropic electrostatic interactions in the protein system and, thus, provides an improvement over the standard isotropic two-bead CG models. In order to test the accuracy of the new CG force field model, extensive molecular dynamics simulations were carried out for a series of benchmark protein systems. These simulation studies showed that the TMFF model can realistically reproduce the structural and dynamical properties of proteins, as demonstrated by the close agreement of the CG results with those from the corresponding all-atom simulations in terms of root-mean-square deviations (RMSDs) and root-mean-square fluctuations (RMSFs) of the protein backbones. The current two-bead model is highly coarse-grained and is 50-fold more efficient than all-atom method in MD simulation of proteins in explicit water.

Multipolar electrostatics.

PubMed

Cardamone, Salvatore; Hughes, Timothy J; Popelier, Paul L A

2014-06-14

Atomistic simulation of chemical systems is currently limited by the elementary description of electrostatics that atomic point-charges offer. Unfortunately, a model of one point-charge for each atom fails to capture the anisotropic nature of electronic features such as lone pairs or π-systems. Higher order electrostatic terms, such as those offered by a multipole moment expansion, naturally recover these important electronic features. The question remains as to why such a description has not yet been widely adopted by popular molecular mechanics force fields. There are two widely-held misconceptions about the more rigorous formalism of multipolar electrostatics: (1) Accuracy: the implementation of multipole moments, compared to point-charges, offers little to no advantage in terms of an accurate representation of a system's energetics, structure and dynamics. (2) Efficiency: atomistic simulation using multipole moments is computationally prohibitive compared to simulation using point-charges. Whilst the second of these may have found some basis when computational power was a limiting factor, the first has no theoretical grounding. In the current work, we disprove the two statements above and systematically demonstrate that multipole moments are not discredited by either. We hope that this perspective will help in catalysing the transition to more realistic electrostatic modelling, to be adopted by popular molecular simulation software.

An analytical method based on multipole moment expansion to calculate the flux distribution in Gammacell-220

NASA Astrophysics Data System (ADS)

Rezaeian, P.; Ataenia, V.; Shafiei, S.

2017-12-01

In this paper, the flux of photons inside the irradiation cell of the Gammacell-220 is calculated using an analytical method based on multipole moment expansion. The flux of the photons inside the irradiation cell is introduced as the function of monopole, dipoles and quadruples in the Cartesian coordinate system. For the source distribution of the Gammacell-220, the values of the multipole moments are specified by direct integrating. To confirm the validation of the presented methods, the flux distribution inside the irradiation cell was determined utilizing MCNP simulations as well as experimental measurements. To measure the flux inside the irradiation cell, Amber dosimeters were employed. The calculated values of the flux were in agreement with the values obtained by simulations and measurements, especially in the central zones of the irradiation cell. In order to show that the present method is a good approximation to determine the flux in the irradiation cell, the values of the multipole moments were obtained by fitting the simulation and experimental data using Levenberg-Marquardt algorithm. The present method leads to reasonable results for the all source distribution even without any symmetry which makes it a powerful tool for the source load planning.

Evaluation of a finite multipole expansion technique for the computation of electrostatic potentials of dibenzo-p-dioxins and related systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, J.S.; Grice, M.E.; Politzer, P.

1990-01-01

The electrostatic potential V(r) that the nuclei and electrons of a molecule create in the surrounding space is well established as a guide in the study of molecular reactivity, and particularly, of biological recognition processes. Its rigorous computation is, however, very demanding of computer time for large molecules, such as those of interest in recognition interactions. The authors have accordingly investigated the use of an approximate finite multicenter multipole expansion technique to determine its applicability for producing reliable electrostatic potentials of dibenzo-p-dioxins and related molecules, with significantly reduced amounts of computer time, at distances of interest in recognition studies. Amore » comparative analysis of the potentials of three dibenzo-q-dioxins and a substituted naphthalene molecule computed using both the multipole expansion technique and GAUSSIAN 82 at the STO-5G level has been carried out. Overall they found that regions of negative and positive V(r) at 1.75 A above the molecular plane are very well reproduced by the multipole expansion technique, with up to a twenty-fold improvement in computer time.« less

Multipole analysis in the radiation field for linearized f (R ) gravity with irreducible Cartesian tensors

NASA Astrophysics Data System (ADS)

Wu, Bofeng; Huang, Chao-Guang

2018-04-01

The 1 /r expansion in the distance to the source is applied to the linearized f (R ) gravity, and its multipole expansion in the radiation field with irreducible Cartesian tensors is presented. Then, the energy, momentum, and angular momentum in the gravitational waves are provided for linearized f (R ) gravity. All of these results have two parts, which are associated with the tensor part and the scalar part in the multipole expansion of linearized f (R ) gravity, respectively. The former is the same as that in General Relativity, and the latter, as the correction to the result in General Relativity, is caused by the massive scalar degree of freedom and plays an important role in distinguishing General Relativity and f (R ) gravity.

The electromagnetic multipole moments of the charged open-flavor {Z}_{\\bar{c}q} states

NASA Astrophysics Data System (ADS)

Azizi, K.; Özdem, U.

2018-05-01

The electromagnetic multipole moments of the open-flavor {Z}\\bar{cq} states are investigated by assuming a diquark–antidiquark picture for their internal structure and quantum numbers {J}{PC}={1}+- for their spin-parity. In particular, their magnetic and quadrupole moments are extracted in the framework of light-cone QCD sum rule by the help of the photon distribution amplitudes. The electromagnetic multipole moments of the open-flavor {Z}\\bar{cq} states are important dynamical observables, which encode valuable information on their underlying structure. The results obtained for the magnetic moments of different structures are considerably large and can be measured in future experiments. We obtain very small values for the quadrupole moments of {Z}\\bar{cq} states indicating a nonspherical charge distribution.

Rapid modelling of the redshift-space power spectrum multipoles for a masked density field

NASA Astrophysics Data System (ADS)

Wilson, M. J.; Peacock, J. A.; Taylor, A. N.; de la Torre, S.

2017-01-01

In this work, we reformulate the forward modelling of the redshift-space power spectrum multipole moments for a masked density field, as encountered in galaxy redshift surveys. Exploiting the symmetries of the redshift-space correlation function, we provide a masked-field generalization of the Hankel transform relation between the multipole moments in real and Fourier space. Using this result, we detail how a likelihood analysis requiring computation for a broad range of desired P(k) models may be executed 103-104 times faster than with other common approaches, together with significant gains in spectral resolution. We present a concrete application to the complex angular geometry of the VIMOS Public Extragalactic Redshift Survey PDR-1 release and discuss the validity of this technique for finite-angle surveys.

Errors in causal inference: an organizational schema for systematic error and random error.

PubMed

Suzuki, Etsuji; Tsuda, Toshihide; Mitsuhashi, Toshiharu; Mansournia, Mohammad Ali; Yamamoto, Eiji

2016-11-01

To provide an organizational schema for systematic error and random error in estimating causal measures, aimed at clarifying the concept of errors from the perspective of causal inference. We propose to divide systematic error into structural error and analytic error. With regard to random error, our schema shows its four major sources: nondeterministic counterfactuals, sampling variability, a mechanism that generates exposure events and measurement variability. Structural error is defined from the perspective of counterfactual reasoning and divided into nonexchangeability bias (which comprises confounding bias and selection bias) and measurement bias. Directed acyclic graphs are useful to illustrate this kind of error. Nonexchangeability bias implies a lack of "exchangeability" between the selected exposed and unexposed groups. A lack of exchangeability is not a primary concern of measurement bias, justifying its separation from confounding bias and selection bias. Many forms of analytic errors result from the small-sample properties of the estimator used and vanish asymptotically. Analytic error also results from wrong (misspecified) statistical models and inappropriate statistical methods. Our organizational schema is helpful for understanding the relationship between systematic error and random error from a previously less investigated aspect, enabling us to better understand the relationship between accuracy, validity, and precision. Copyright © 2016 Elsevier Inc. All rights reserved.

Transferability of electronic structure of four energetic materials by using single crystal and high resolution X-ray diffraction experiments

NASA Astrophysics Data System (ADS)

Chen, Yu-Sheng

The electronic structures of four energetic materials, trinitrodiazapentalene (C6H3N5O6, TNDAP), beta-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (C4H8N8O8, beta-HMX), 1,3,3-trinitroazetidine (C3H4N4O6, TNAZ), and hexahydro-1,3,5-trinitro-1,3,5-s-triazine (C3H6N6O6, RDX), have been analyzed using Hansen-Coppens multipole refinements, using high resolution X-ray diffraction data collected at low temperature, as well as from theoretical calculated structure factors from the solid state phase using density functional theory (DFT), plus B3LYP level theory, and the 6-31G* basis set. However, when comparing both the deformation density and the electrostatic potentials from the theoretical results in TNDAP and TNAZ, they disagree with the experimental results. Therefore, those results have been deposited in appendices A4 and A6, for future reference. In HMX and RDX the theoretical results are in good agreement with experimental results. The physical properties derived from the electronic structure in these four energetic materials, such as multipole populations, the values of the electron density and its Laplacian of the electron density at the bond critical points, have also been calculated using "Atoms in Molecules" (AIM) theory both from the solid state phase calculation, and the experiment, as well as directly calculated from the free molecule in the gas phase. The electron density and the magnitude of its Laplacian from the gas phase are always larger than for the solid state phase calculation and the experiment. This may be due to the packing effect. The transferability of the experimental electronic structure of the NO 2 groups from HMX to TNDAP, TNAZ and RDX are also presented here. Even though the major populated multipoles are robust (small e.s.d.'s), these are few in number, compared with other lower populated multipoles for which the populations span a larger range. Since the deformation electron density distributions are reconstructed using linear combinations of the multipoles, it is necessary to give more degrees of freedom in the refinements. Therefore, those electron density distributions which have a wider range of the multipole populations should not be fixed in the refinements. Utilizing the same coordinate system setup in the multipole refinements of the functional groups, this system can be used as a starting point for solving the charge distribution of a larger system.

Fast multipole method using Cartesian tensor in beam dynamic simulation

DOE PAGES

Zhang, He; Huang, He; Li, Rui; ...

2017-03-06

Here, the fast multipole method (FMM) using traceless totally symmetric Cartesian tensor to calculate the Coulomb interaction between charged particles will be presented. The Cartesian tensor-based FMM can be generalized to treat other non-oscillating interactions with the help of the differential algebra or the truncated power series algebra. Issues on implementation of the FMM in beam dynamic simulations are also discussed.

Building better water models using the shape of the charge distribution of a water molecule

NASA Astrophysics Data System (ADS)

Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2017-11-01

The unique properties of liquid water apparently arise from more than just the tetrahedral bond angle between the nuclei of a water molecule since simple three-site models of water are poor at mimicking these properties in computer simulations. Four- and five-site models add partial charges on dummy sites and are better at modeling these properties, which suggests that the shape of charge distribution is important. Since a multipole expansion of the electrostatic potential describes a charge distribution in an orthogonal basis set that is exact in the limit of infinite order, multipoles may be an even better way to model the charge distribution. In particular, molecular multipoles up to the octupole centered on the oxygen appear to describe the electrostatic potential from electronic structure calculations better than four- and five-site models, and molecular multipole models give better agreement with the temperature and pressure dependence of many liquid state properties of water while retaining the computational efficiency of three-site models. Here, the influence of the shape of the molecular charge distribution on liquid state properties is examined by correlating multipoles of non-polarizable water models with their liquid state properties in computer simulations. This will aid in the development of accurate water models for classical simulations as well as in determining the accuracy needed in quantum mechanical/molecular mechanical studies and ab initio molecular dynamics simulations of water. More fundamentally, this will lead to a greater understanding of how the charge distribution of a water molecule leads to the unique properties of liquid water. In particular, these studies indicate that p-orbital charge out of the molecular plane is important.

Some practical problems in implementing randomization.

PubMed

Downs, Matt; Tucker, Kathryn; Christ-Schmidt, Heidi; Wittes, Janet

2010-06-01

While often theoretically simple, implementing randomization to treatment in a masked, but confirmable, fashion can prove difficult in practice. At least three categories of problems occur in randomization: (1) bad judgment in the choice of method, (2) design and programming errors in implementing the method, and (3) human error during the conduct of the trial. This article focuses on these latter two types of errors, dealing operationally with what can go wrong after trial designers have selected the allocation method. We offer several case studies and corresponding recommendations for lessening the frequency of problems in allocating treatment or for mitigating the consequences of errors. Recommendations include: (1) reviewing the randomization schedule before starting a trial, (2) being especially cautious of systems that use on-demand random number generators, (3) drafting unambiguous randomization specifications, (4) performing thorough testing before entering a randomization system into production, (5) maintaining a dataset that captures the values investigators used to randomize participants, thereby allowing the process of treatment allocation to be reproduced and verified, (6) resisting the urge to correct errors that occur in individual treatment assignments, (7) preventing inadvertent unmasking to treatment assignments in kit allocations, and (8) checking a sample of study drug kits to allow detection of errors in drug packaging and labeling. Although we performed a literature search of documented randomization errors, the examples that we provide and the resultant recommendations are based largely on our own experience in industry-sponsored clinical trials. We do not know how representative our experience is or how common errors of the type we have seen occur. Our experience underscores the importance of verifying the integrity of the treatment allocation process before and during a trial. Clinical Trials 2010; 7: 235-245. http://ctj.sagepub.com.

Sun compass error model

NASA Technical Reports Server (NTRS)

Blucker, T. J.; Ferry, W. W.

1971-01-01

An error model is described for the Apollo 15 sun compass, a contingency navigational device. Field test data are presented along with significant results of the test. The errors reported include a random error resulting from tilt in leveling the sun compass, a random error because of observer sighting inaccuracies, a bias error because of mean tilt in compass leveling, a bias error in the sun compass itself, and a bias error because the device is leveled to the local terrain slope.

Comparing Planck and WMAP: Maps, Spectra, and Parameters

NASA Astrophysics Data System (ADS)

Larson, D.; Weiland, J. L.; Hinshaw, G.; Bennett, C. L.

2015-03-01

We examine the consistency of the 9 yr WMAP data and the first-release Planck data. We specifically compare sky maps, power spectra, and the inferred Λ cold dark matter (ΛCDM) cosmological parameters. Residual dipoles are seen in the WMAP and Planck sky map differences, but their amplitudes are consistent within the quoted uncertainties, and they are not large enough to explain the widely noted differences in angular power spectra at higher l. We remove the residual dipoles and use templates to remove residual Galactic foregrounds; after doing so, the residual difference maps exhibit a quadrupole and other large-scale systematic structure. We identify this structure as possibly originating from Planck’s beam sidelobe pick-up, but note that it appears to have insignificant cosmological impact. We develop an extension of the internal linear combination technique to find the minimum-variance difference between the WMAP and Planck sky maps; again we find features that plausibly originate in the Planck data. Lacking access to the Planck time-ordered data we cannot further assess these features. We examine ΛCDM model fits to the angular power spectra and conclude that the ˜2.5% difference in the spectra at multipoles greater than l˜ 100 is significant at the 3-5σ level, depending on how beam uncertainties are handled in the data. We revisit the analysis of WMAP’s beam data to address the power spectrum differences and conclude that previously derived uncertainties are robust and cannot explain the power spectrum differences. In fact, any remaining WMAP errors are most likely to exacerbate the difference. Finally, we examine the consistency of the ΛCDM parameters inferred from each data set taking into account the fact that both experiments observe the same sky, but cover different multipole ranges, apply different sky masks, and have different noise. We find that, while individual parameter values agree within the uncertainties, the six parameters taken together are discrepant at the ˜6σ level, with {χ }2}=56 for 6 degrees of freedom (probability to exceed, PTE = 3× {{10}-10}). The nature of this discrepancy is explored: of the six parameters, {{χ }2} is best improved by marginalizing over {{{Ω}c}{{h}2}, giving {χ }2}=5.2 for 5 degrees of freedom. As an exercise, we find that perturbing the WMAP window function by its dominant beam error profile has little effect on {{{Ω}c}{{h}2}, while perturbing the Planck window function by its corresponding error profile has a much greater effect on {{Ω}c}{{h}2}.

RPYFMM: Parallel adaptive fast multipole method for Rotne-Prager-Yamakawa tensor in biomolecular hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Guan, W.; Cheng, X.; Huang, J.; Huber, G.; Li, W.; McCammon, J. A.; Zhang, B.

2018-06-01

RPYFMM is a software package for the efficient evaluation of the potential field governed by the Rotne-Prager-Yamakawa (RPY) tensor interactions in biomolecular hydrodynamics simulations. In our algorithm, the RPY tensor is decomposed as a linear combination of four Laplace interactions, each of which is evaluated using the adaptive fast multipole method (FMM) (Greengard and Rokhlin, 1997) where the exponential expansions are applied to diagonalize the multipole-to-local translation operators. RPYFMM offers a unified execution on both shared and distributed memory computers by leveraging the DASHMM library (DeBuhr et al., 2016, 2018). Preliminary numerical results show that the interactions for a molecular system of 15 million particles (beads) can be computed within one second on a Cray XC30 cluster using 12,288 cores, while achieving approximately 54% strong-scaling efficiency.

On the dynamic toroidal multipoles from localized electric current distributions.

PubMed

Fernandez-Corbaton, Ivan; Nanz, Stefan; Rockstuhl, Carsten

2017-08-08

We analyze the dynamic toroidal multipoles and prove that they do not have an independent physical meaning with respect to their interaction with electromagnetic waves. We analytically show how the split into electric and toroidal parts causes the appearance of non-radiative components in each of the two parts. These non-radiative components, which cancel each other when both parts are summed, preclude the separate determination of each part by means of measurements of the radiation from the source or of its coupling to external electromagnetic waves. In other words, there is no toroidal radiation or independent toroidal electromagnetic coupling. The formal meaning of the toroidal multipoles is clear in our derivations. They are the higher order terms of an expansion of the multipolar coefficients of electric parity with respect to the electromagnetic size of the source.

Ensemble-type numerical uncertainty information from single model integrations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rauser, Florian, E-mail: florian.rauser@mpimet.mpg.de; Marotzke, Jochem; Korn, Peter

2015-07-01

We suggest an algorithm that quantifies the discretization error of time-dependent physical quantities of interest (goals) for numerical models of geophysical fluid dynamics. The goal discretization error is estimated using a sum of weighted local discretization errors. The key feature of our algorithm is that these local discretization errors are interpreted as realizations of a random process. The random process is determined by the model and the flow state. From a class of local error random processes we select a suitable specific random process by integrating the model over a short time interval at different resolutions. The weights of themore » influences of the local discretization errors on the goal are modeled as goal sensitivities, which are calculated via automatic differentiation. The integration of the weighted realizations of local error random processes yields a posterior ensemble of goal approximations from a single run of the numerical model. From the posterior ensemble we derive the uncertainty information of the goal discretization error. This algorithm bypasses the requirement of detailed knowledge about the models discretization to generate numerical error estimates. The algorithm is evaluated for the spherical shallow-water equations. For two standard test cases we successfully estimate the error of regional potential energy, track its evolution, and compare it to standard ensemble techniques. The posterior ensemble shares linear-error-growth properties with ensembles of multiple model integrations when comparably perturbed. The posterior ensemble numerical error estimates are of comparable size as those of a stochastic physics ensemble.« less

The emergence of collective phenomena in systems with random interactions

NASA Astrophysics Data System (ADS)

Abramkina, Volha

Emergent phenomena are one of the most profound topics in modern science, addressing the ways that collectivities and complex patterns appear due to multiplicity of components and simple interactions. Ensembles of random Hamiltonians allow one to explore emergent phenomena in a statistical way. In this work we adopt a shell model approach with a two-body interaction Hamiltonian. The sets of the two-body interaction strengths are selected at random, resulting in the two-body random ensemble (TBRE). Symmetries such as angular momentum, isospin, and parity entangled with complex many-body dynamics result in surprising order discovered in the spectrum of low-lying excitations. The statistical patterns exhibited in the TBRE are remarkably similar to those observed in real nuclei. Signs of almost every collective feature seen in nuclei, namely, pairing superconductivity, deformation, and vibration, have been observed in random ensembles [3, 4, 5, 6]. In what follows a systematic investigation of nuclear shape collectivities in random ensembles is conducted. The development of the mean field, its geometry, multipole collectivities and their dependence on the underlying two-body interaction are explored. Apart from the role of static symmetries such as SU(2) angular momentum and isospin groups, the emergence of dynamical symmetries including the seniority SU(2), rotational symmetry, as well as the Elliot SU(3) is shown to be an important precursor for the existence of geometric collectivities.

STEM-EELS analysis of multipole surface plasmon modes in symmetry-broken AuAg nanowire dimers

NASA Astrophysics Data System (ADS)

Schubert, Ina; Sigle, Wilfried; van Aken, Peter A.; Trautmann, Christina; Toimil-Molares, Maria Eugenia

2015-03-01

Surface plasmon coupling in nanowires separated by small gaps generates high field enhancements at the position of the gap and is thus of great interest for sensing applications. It is known that the nanowire dimensions and in particular the symmetry of the structures has strong influence on the plasmonic properties of the dimer structure. Here, we report on multipole surface plasmon coupling in symmetry-broken AuAg nanowire dimers. Our dimers, consisting of two nanowires with different lengths and separated by gaps of only 10 to 30 nm, were synthesized by pulsed electrochemical deposition in ion track-etched polymer templates. Electron energy-loss spectroscopy in scanning transmission electron microscopy allows us to resolve up to nine multipole order surface plasmon modes of these dimers spectrally separated from each other. The spectra evidence plasmon coupling between resonances of different multipole order, resulting in the generation of additional plasmonic modes. Since such complex structures require elaborated synthesis techniques, dimer structures with complex composition, morphology and shape are created. We demonstrate that finite element simulations on pure Au dimers can predict the generated resonances in the fabricated structures. The excellent agreement of our experiment on AuAg dimers with finite integration simulations using CST microwave studio manifests great potential to design complex structures for sensing applications.

Quantum interference in laser spectroscopy of highly charged lithiumlike ions

NASA Astrophysics Data System (ADS)

Amaro, Pedro; Loureiro, Ulisses; Safari, Laleh; Fratini, Filippo; Indelicato, Paul; Stöhlker, Thomas; Santos, José Paulo

2018-02-01

We investigate the quantum interference induced shifts between energetically close states in highly charged ions, with the energy structure being observed by laser spectroscopy. In this work, we focus on hyperfine states of lithiumlike heavy-Z isotopes and quantify how much quantum interference changes the observed transition frequencies. The process of photon excitation and subsequent photon decay for the transition 2 s →2 p →2 s is implemented with fully relativistic and full-multipole frameworks, which are relevant for such relativistic atomic systems. We consider the isotopes 79+207Pb and 80+209Bi due to experimental interest, as well as other examples of isotopes with lower Z , namely 56+141Pr and 64+165Ho. We conclude that quantum interference can induce shifts up to 11% of the linewidth in the measurable resonances of the considered isotopes, if interference between resonances is neglected. The inclusion of relativity decreases the cross section by 35%, mainly due to the complete retardation form of the electric dipole multipole. However, the contribution of the next higher multipoles (e.g., magnetic quadrupole) to the cross section is negligible. This makes the contribution of relativity and higher-order multipoles to the quantum interference induced shifts a minor effect, even for heavy-Z elements.

Multipolar response of nonspherical silicon nanoparticles in the visible and near-infrared spectral ranges

NASA Astrophysics Data System (ADS)

Terekhov, Pavel D.; Baryshnikova, Kseniia V.; Artemyev, Yuriy A.; Karabchevsky, Alina; Shalin, Alexander S.; Evlyukhin, Andrey B.

2017-07-01

Spectral multipole resonances of parallelepiped-, pyramid-, and cone-like shaped silicon nanoparticles excited by linearly polarized light waves are theoretically investigated. The numerical finite element method is applied for the calculations of the scattering cross sections as a function of the nanoparticles geometrical parameters. The roles of multipole moments (up to the third order) in the scattering process are analyzed using the semianalytical multipole decomposition approach. The possibility of scattering pattern configuration due to the tuning of the multipole contributions to the total scattered waves is discussed and demonstrated. It is shown that cubic nanoparticles can provide a strong isotropic side scattering with minimization of the scattering in forward and backward directions. In the case of the pyramidal and conical nanoparticles the total suppression of the side scattering can be obtained. It was found that due to the shape factor of the pyramidal and conical nanoparticles their electric toroidal dipole resonance can be excited in the spectral region of the first electric and magnetic dipole resonances. The influence of the incident light directions on the optical response of the pyramidal and conical nanoparticles is discussed. The obtained results provide important information that can be used for the development of nanoantennas with improved functionality due to the directional scattering effects.

Resonance line polarization and the Hanle effect in optically thick media. I - Formulation for the two-level atom

NASA Astrophysics Data System (ADS)

Landi Degl'Innocenti, E.; Bommier, V.; Sahal-Brechot, S.

1990-08-01

A general formalism is presented to describe resonance line polarization for a two-level atom in an optically thick, three-dimensional medium embedded in an arbitrary varying magnetic field and irradiated by an arbitrary radiation field. The magnetic field is supposed sufficiently small to induce a Zeeman splitting much smaller than the typical line width. By neglecting atomic polarization in the lower level and stimulated emission, an integral equation is derived for the multipole moments of the density matrix of the upper level. This equation shows how the multipole moments at any assigned point of the medium are coupled to the multipole moments relative at a different point as a consequence of the propagation of polarized radiation between the two points. The equation also accounts for the effect of the magnetic field, described by a kernel locally connecting multipole moments of the same rank, and for the role of inelastic and elastic (or depolarizing) collisions. After having given its formal derivation for the general case, the integral equation is particularized to the one-dimensional and two-dimensional cases. For the one-dimensional case of a plane parallel atmosphere, neglecting both the magnetic field and depolarizing collisions, the equation here derived reduces to a previous one given by Rees (1978).

SevenOperators, a Mathematica script for harmonic oscillator nuclear matrix elements arising in semileptonic electroweak interactions

NASA Astrophysics Data System (ADS)

Haxton, Wick; Lunardini, Cecilia

2008-09-01

Semi-leptonic electroweak interactions in nuclei—such as β decay, μ capture, charged- and neutral-current neutrino reactions, and electron scattering—are described by a set of multipole operators carrying definite parity and angular momentum, obtained by projection from the underlying nuclear charge and three-current operators. If these nuclear operators are approximated by their one-body forms and expanded in the nucleon velocity through order |p→|/M, where p→ and M are the nucleon momentum and mass, a set of seven multipole operators is obtained. Nuclear structure calculations are often performed in a basis of Slater determinants formed from harmonic oscillator orbitals, a choice that allows translational invariance to be preserved. Harmonic-oscillator single-particle matrix elements of the multipole operators can be evaluated analytically and expressed in terms of finite polynomials in q, where q is the magnitude of the three-momentum transfer. While results for such matrix elements are available in tabular form, with certain restriction on quantum numbers, the task of determining the analytic form of a response function can still be quite tedious, requiring the folding of the tabulated matrix elements with the nuclear density matrix, and subsequent algebra to evaluate products of operators. Here we provide a Mathematica script for generating these matrix elements, which will allow users to carry out all such calculations by symbolic manipulation. This will eliminate the errors that may accompany hand calculations and speed the calculation of electroweak nuclear cross sections and rates. We illustrate the use of the new script by calculating the cross sections for charged- and neutral-current neutrino scattering in 12C. Program summaryProgram title: SevenOperators Catalogue identifier: AEAY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2227 No. of bytes in distributed program, including test data, etc.: 19 382 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer running Mathematica; tested on Mac OS X PowerPC (32-bit) running Mathematica 6.0.0 Operating system: Any running Mathematica RAM: Memory requirements determined by Mathematica; 512 MB or greater RAM and hard drive space of at least 3.0 GB recommended Classification: 17.16, 17.19 Nature of problem: Algebraic evaluation of harmonic oscillator nuclear matrix elements for the one-body multipole operators governing semi-leptonic weak interactions, such as charged- or neutral-current neutrino scattering off nuclei. Solution method: Mathematica evaluation of associated angular momentum algebra and spherical Bessel function radial integrals. Running time: Depends on the complexity of the one-body density matrix employed, but times of a few seconds are typical.

Random errors in interferometry with the least-squares method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Qi

2011-01-20

This investigation analyzes random errors in interferometric surface profilers using the least-squares method when random noises are present. Two types of random noise are considered here: intensity noise and position noise. Two formulas have been derived for estimating the standard deviations of the surface height measurements: one is for estimating the standard deviation when only intensity noise is present, and the other is for estimating the standard deviation when only position noise is present. Measurements on simulated noisy interferometric data have been performed, and standard deviations of the simulated measurements have been compared with those theoretically derived. The relationships havemore » also been discussed between random error and the wavelength of the light source and between random error and the amplitude of the interference fringe.« less

Casing pipe damage detection with optical fiber sensors: a case study in oil well constructions

NASA Astrophysics Data System (ADS)

Zhou, Zhi; He, Jianping; Huang, Minghua; He, Jun; Ou, Jinping; Chen, Genda

2010-04-01

Casing pipes in oil well constructions may suddenly buckle inward as their inside and outside hydrostatic pressure difference increases. For the safety of construction workers and the steady development of oil industries, it is critically important to measure the stress state of a casing pipe. This study develops a rugged, real-time monitoring, and warning system that combines the distributed Brillouin Scattering Time Domain Reflectometry (BOTDR) and the discrete fiber Bragg grating (FBG) measurement. The BOTDR optical fiber sensors were embedded with no optical fiber splice joints in a fiber reinforced polymer (FRP) rebar and the FBG sensors were wrapped in epoxy resins and glass clothes, both installed during the segmental construction of casing pipes. In-situ tests indicate that the proposed sensing system and installation technique can survive the downhole driving process of casing pipes, withstand a harsh service environment, and remain in tact with the casing pipes for compatible strain measurements. The relative error of the measured strains between the distributed and discrete sensors is less than 12%. The FBG sensors successfully measured the maximum horizontal principal stress with a relative error of 6.7% in comparison with a cross multi-pole array acoustic instrument.

System and method for trapping and measuring a charged particle in a liquid

DOEpatents

Reed, Mark A; Krstic, Predrag S; Guan, Weihua; Zhao, Xiongce

2013-07-23

A system and method for trapping a charged particle is disclosed. A time-varying periodic multipole electric potential is generated in a trapping volume. A charged particle under the influence of the multipole electric field is confined to the trapping volume. A three electrode configuration giving rise to a 3D Paul trap and a four planar electrode configuration giving rise to a 2D Paul trap are disclosed.

System and method for trapping and measuring a charged particle in a liquid

DOEpatents

Reed, Mark A; Krstic, Predrag S; Guan, Weihua; Zhao, Xiongce

2012-10-23

A system and method for trapping a charged particle is disclosed. A time-varying periodic multipole electric potential is generated in a trapping volume. A charged particle under the influence of the multipole electric field is confined to the trapping volume. A three electrode configuration giving rise to a 3D Paul trap and a four planar electrode configuration giving rise to a 2D Paul trap are disclosed.

Calculations of the binding affinities of protein-protein complexes with the fast multipole method

NASA Astrophysics Data System (ADS)

Kim, Bongkeun; Song, Jiming; Song, Xueyu

2010-09-01

In this paper, we used a coarse-grained model at the residue level to calculate the binding free energies of three protein-protein complexes. General formulations to calculate the electrostatic binding free energy and the van der Waals free energy are presented by solving linearized Poisson-Boltzmann equations using the boundary element method in combination with the fast multipole method. The residue level model with the fast multipole method allows us to efficiently investigate how the mutations on the active site of the protein-protein interface affect the changes in binding affinities of protein complexes. Good correlations between the calculated results and the experimental ones indicate that our model can capture the dominant contributions to the protein-protein interactions. At the same time, additional effects on protein binding due to atomic details are also discussed in the context of the limitations of such a coarse-grained model.

Nonequilibrium electromagnetics: Local and macroscopic fields and constitutive relationships

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker-Jarvis, James; Kabos, Pavel; Holloway, Christopher L.

We study the electrodynamics of materials using a Liouville-Hamiltonian-based statistical-mechanical theory. Our goal is to develop electrodynamics from an ensemble-average viewpoint that is valid for microscopic and nonequilibrium systems at molecular to submolecular scales. This approach is not based on a Taylor series expansion of the charge density to obtain the multipoles. Instead, expressions of the molecular multipoles are used in an inverse problem to obtain the averaging statistical-density function that is used to obtain the macroscopic fields. The advantages of this method are that the averaging function is constructed in a self-consistent manner and the molecules can either bemore » treated as point multipoles or contain more microstructure. Expressions for the local and macroscopic fields are obtained, and evolution equations for the constitutive parameters are developed. We derive equations for the local field as functions of the applied, polarization, magnetization, strain density, and macroscopic fields.« less

Computational electromagnetics: the physics of smooth versus oscillatory fields.

PubMed

Chew, W C

2004-03-15

This paper starts by discussing the difference in the physics between solutions to Laplace's equation (static) and Maxwell's equations for dynamic problems (Helmholtz equation). Their differing physical characters are illustrated by how the two fields convey information away from their source point. The paper elucidates the fact that their differing physical characters affect the use of Laplacian field and Helmholtz field in imaging. They also affect the design of fast computational algorithms for electromagnetic scattering problems. Specifically, a comparison is made between fast algorithms developed using wavelets, the simple fast multipole method, and the multi-level fast multipole algorithm for electrodynamics. The impact of the physical characters of the dynamic field on the parallelization of the multi-level fast multipole algorithm is also discussed. The relationship of diagonalization of translators to group theory is presented. Finally, future areas of research for computational electromagnetics are described.

Microfluidic quadrupole and floating concentration gradient.

PubMed

Qasaimeh, Mohammad A; Gervais, Thomas; Juncker, David

2011-09-06

The concept of fluidic multipoles, in analogy to electrostatics, has long been known as a particular class of solutions of the Navier-Stokes equation in potential flows; however, experimental observations of fluidic multipoles and of their characteristics have not been reported yet. Here we present a two-dimensional microfluidic quadrupole and a theoretical analysis consistent with the experimental observations. The microfluidic quadrupole was formed by simultaneously injecting and aspirating fluids from two pairs of opposing apertures in a narrow gap formed between a microfluidic probe and a substrate. A stagnation point was formed at the centre of the microfluidic quadrupole, and its position could be rapidly adjusted hydrodynamically. Following the injection of a solute through one of the poles, a stationary, tunable, and movable-that is, 'floating'-concentration gradient was formed at the stagnation point. Our results lay the foundation for future combined experimental and theoretical exploration of microfluidic planar multipoles including convective-diffusive phenomena.

Comparison of Oral Reading Errors between Contextual Sentences and Random Words among Schoolchildren

ERIC Educational Resources Information Center

Khalid, Nursyairah Mohd; Buari, Noor Halilah; Chen, Ai-Hong

2017-01-01

This paper compares the oral reading errors between the contextual sentences and random words among schoolchildren. Two sets of reading materials were developed to test the oral reading errors in 30 schoolchildren (10.00±1.44 years). Set A was comprised contextual sentences while Set B encompassed random words. The schoolchildren were asked to…

Random measurement error: Why worry? An example of cardiovascular risk factors.

PubMed

Brakenhoff, Timo B; van Smeden, Maarten; Visseren, Frank L J; Groenwold, Rolf H H

2018-01-01

With the increased use of data not originally recorded for research, such as routine care data (or 'big data'), measurement error is bound to become an increasingly relevant problem in medical research. A common view among medical researchers on the influence of random measurement error (i.e. classical measurement error) is that its presence leads to some degree of systematic underestimation of studied exposure-outcome relations (i.e. attenuation of the effect estimate). For the common situation where the analysis involves at least one exposure and one confounder, we demonstrate that the direction of effect of random measurement error on the estimated exposure-outcome relations can be difficult to anticipate. Using three example studies on cardiovascular risk factors, we illustrate that random measurement error in the exposure and/or confounder can lead to underestimation as well as overestimation of exposure-outcome relations. We therefore advise medical researchers to refrain from making claims about the direction of effect of measurement error in their manuscripts, unless the appropriate inferential tools are used to study or alleviate the impact of measurement error from the analysis.

Polarized Sunyaev Zel'dovich tomography

NASA Astrophysics Data System (ADS)

Deutsch, Anne-Sylvie; Johnson, Matthew C.; Münchmeyer, Moritz; Terrana, Alexandra

2018-04-01

Secondary CMB polarization is induced by the late-time scattering of CMB photons by free electrons on our past light cone. This polarized Sunyaev Zel'dovich (pSZ) effect is sensitive to the electrons' locally observed CMB quadrupole, which is sourced primarily by long wavelength inhomogeneities. By combining the remote quadrupoles measured by free electrons throughout the Universe after reionization, the pSZ effect allows us to obtain additional information about large scale modes beyond what can be learned from our own last scattering surface. Here we determine the power of pSZ tomography, in which the pSZ effect is cross-correlated with the density field binned at several redshifts, to provide information about the long wavelength Universe. The signal we explore here is a power asymmetry in the cross-correlation between E or B mode CMB polarization and the density field. We compare this to the cosmic variance limited noise: the random chance to get a power asymmetry in the absence of a large scale quadrupole field. By computing the necessary transfer functions and cross-correlations, we compute the signal-to-noise ratio attainable by idealized next generation CMB experiments and galaxy surveys. We find that a signal-to-noise ratio of ~ 1‑10 is in principle attainable over a significant range of power multipoles, with the strongest signal coming from the first multipoles in the lowest redshift bins. These results prompt further assessment of realistically measuring the pSZ signal and the potential impact for constraining cosmology on large scales.

A Practical Methodology for Quantifying Random and Systematic Components of Unexplained Variance in a Wind Tunnel

NASA Technical Reports Server (NTRS)

Deloach, Richard; Obara, Clifford J.; Goodman, Wesley L.

2012-01-01

This paper documents a check standard wind tunnel test conducted in the Langley 0.3-Meter Transonic Cryogenic Tunnel (0.3M TCT) that was designed and analyzed using the Modern Design of Experiments (MDOE). The test designed to partition the unexplained variance of typical wind tunnel data samples into two constituent components, one attributable to ordinary random error, and one attributable to systematic error induced by covariate effects. Covariate effects in wind tunnel testing are discussed, with examples. The impact of systematic (non-random) unexplained variance on the statistical independence of sequential measurements is reviewed. The corresponding correlation among experimental errors is discussed, as is the impact of such correlation on experimental results generally. The specific experiment documented herein was organized as a formal test for the presence of unexplained variance in representative samples of wind tunnel data, in order to quantify the frequency with which such systematic error was detected, and its magnitude relative to ordinary random error. Levels of systematic and random error reported here are representative of those quantified in other facilities, as cited in the references.

The multipole resonance probe: characterization of a prototype

NASA Astrophysics Data System (ADS)

Lapke, Martin; Oberrath, Jens; Schulz, Christian; Storch, Robert; Styrnoll, Tim; Zietz, Christian; Awakowicz, Peter; Brinkmann, Ralf Peter; Musch, Thomas; Mussenbrock, Thomas; Rolfes, Ilona

2011-08-01

The multipole resonance probe (MRP) was recently proposed as an economical and industry compatible plasma diagnostic device (Lapke et al 2008 Appl. Phys. Lett. 93 051502). This communication reports the experimental characterization of a first MRP prototype in an inductively coupled argon/nitrogen plasma at 10 Pa. The behavior of the device follows the predictions of both an analytical model and a numerical simulation. The obtained electron densities are in excellent agreement with the results of Langmuir probe measurements.

Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments.

PubMed

Darley, Michael G; Handley, Chris M; Popelier, Paul L A

2008-09-09

Intramolecular polarization is the change to the electron density of a given atom upon variation in the positions of the neighboring atoms. We express the electron density in terms of multipole moments. Using glycine and N-methylacetamide (NMA) as pilot systems, we show that neural networks can capture the change in electron density due to polarization. After training, modestly sized neural networks successfully predict the atomic multipole moments from the nuclear positions of all atoms in the molecule. Accurate electrostatic energies between two atoms can be then obtained via a multipole expansion, inclusive of polarization effects. As a result polarization is successfully modeled at short-range and without an explicit polarizability tensor. This approach puts charge transfer and multipolar polarization on a common footing. The polarization procedure is formulated within the context of quantum chemical topology (QCT). Nonbonded atom-atom interactions in glycine cover an energy range of 948 kJ mol(-1), with an average energy difference between true and predicted energy of 0.2 kJ mol(-1), the largest difference being just under 1 kJ mol(-1). Very similar energy differences are found for NMA, which spans a range of 281 kJ mol(-1). The current proof-of-concept enables the construction of a new protein force field that incorporates electron density fragments that dynamically respond to their fluctuating environment.

New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

NASA Astrophysics Data System (ADS)

Sagui, Celeste

2006-03-01

An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.

Long term dynamics of the high luminosity Large Hadron Collider with crab cavities

NASA Astrophysics Data System (ADS)

Barranco García, J.; De Maria, R.; Grudiev, A.; Tomás García, R.; Appleby, R. B.; Brett, D. R.

2016-10-01

The High Luminosity upgrade of the Large Hadron Collider (HL-LHC) aims to achieve an integrated luminosity of 200 - 300 fb-1 per year, including the contribution from the upgrade of the injector chain. For the HL-LHC the larger crossing angle together with a smaller beta function at the collision point would result in more than 70% luminosity loss due to the incomplete geometric overlap of colliding bunches. To recover head-on collisions at the high-luminosity particle-physics detectors ATLAS and CMS and benefit from the very low β* provided by the Achromatic Telescopic Squeezing (ATS) optics, a local crab cavity scheme provides transverse kicks to the proton bunches. The tight space constraints at the location of these cavities leads to designs which are axially non-symmetric, giving rise to high order multipoles components of the main deflecting mode and, since these kicks are harmonic in time, we expand them in a series of multipoles in a similar fashion as is done for static field magnets. In this work we calculate, for the first time, the higher order multipoles and their impact on beam dynamics for three different crab cavity prototypes. Different approaches to calculate the multipoles are presented. Furthermore, we perform the first calculation of their impact on the long term stability of the machine using the concept of dynamic aperture.

POWER ASYMMETRY IN COSMIC MICROWAVE BACKGROUND FLUCTUATIONS FROM FULL SKY TO SUB-DEGREE SCALES: IS THE UNIVERSE ISOTROPIC?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, F. K.; Eriksen, H. K.; Lilje, P. B.

We repeat and extend the analysis of Eriksen et al. and Hansen et al., testing the isotropy of the cosmic microwave background fluctuations. We find that the hemispherical power asymmetry previously reported for the largest scales l = 2-40 extends to much smaller scales. In fact, for the full multipole range l = 2-600, significantly more power is found in the hemisphere centered at (theta = 107{sup 0} +- 10{sup 0}, phi = 226{sup 0} +- 10{sup 0}) in galactic co-latitude and longitude than in the opposite hemisphere, consistent with the previously detected direction of asymmetry for l = 2-40.more » We adopt a model selection test where the direction and amplitude of asymmetry, as well as the multipole range, are free parameters. A model with an asymmetric distribution of power for l = 2-600 is found to be preferred over the isotropic model at the 0.4% significance level, taking into account the additional parameters required to describe it. A similar direction of asymmetry is found independently in all six subranges of 100 multipoles between l = 2-600. None of our 9800 isotropic simulated maps show a similarly consistent direction of asymmetry over such a large multipole range. No known systematic effects or foregrounds are found to be able to explain the asymmetry.« less

The Effect of Random Error on Diagnostic Accuracy Illustrated with the Anthropometric Diagnosis of Malnutrition

PubMed Central

2016-01-01

Background It is often thought that random measurement error has a minor effect upon the results of an epidemiological survey. Theoretically, errors of measurement should always increase the spread of a distribution. Defining an illness by having a measurement outside an established healthy range will lead to an inflated prevalence of that condition if there are measurement errors. Methods and results A Monte Carlo simulation was conducted of anthropometric assessment of children with malnutrition. Random errors of increasing magnitude were imposed upon the populations and showed that there was an increase in the standard deviation with each of the errors that became exponentially greater with the magnitude of the error. The potential magnitude of the resulting error of reported prevalence of malnutrition were compared with published international data and found to be of sufficient magnitude to make a number of surveys and the numerous reports and analyses that used these data unreliable. Conclusions The effect of random error in public health surveys and the data upon which diagnostic cut-off points are derived to define “health” has been underestimated. Even quite modest random errors can more than double the reported prevalence of conditions such as malnutrition. Increasing sample size does not address this problem, and may even result in less accurate estimates. More attention needs to be paid to the selection, calibration and maintenance of instruments, measurer selection, training & supervision, routine estimation of the likely magnitude of errors using standardization tests, use of statistical likelihood of error to exclude data from analysis and full reporting of these procedures in order to judge the reliability of survey reports. PMID:28030627

A case study of the effects of random errors in rawinsonde data on computations of ageostrophic winds

NASA Technical Reports Server (NTRS)

Moore, J. T.

1985-01-01

Data input for the AVE-SESAME I experiment are utilized to describe the effects of random errors in rawinsonde data on the computation of ageostrophic winds. Computer-generated random errors for wind direction and speed and temperature are introduced into the station soundings at 25 mb intervals from which isentropic data sets are created. Except for the isallobaric and the local wind tendency, all winds are computed for Apr. 10, 1979 at 2000 GMT. Divergence fields reveal that the isallobaric and inertial-geostrophic-advective divergences are less affected by rawinsonde random errors than the divergence of the local wind tendency or inertial-advective winds.

Modelling non-linear effects of dark energy

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis

2018-04-01

We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.

Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters.

PubMed

Kramer, Christian; Gedeck, Peter; Meuwly, Markus

2013-03-12

Distributed atomic multipole (MTP) moments promise significant improvements over point charges (PCs) in molecular force fields, as they (a) more realistically reproduce the ab initio electrostatic potential (ESP) and (b) allow to capture anisotropic atomic properties such as lone pairs, conjugated systems, and σ holes. The present work focuses on the question of whether multipolar electrostatics instead of PCs in standard force fields leads to quantitative improvements over point charges in reproducing intermolecular interactions. To this end, the interaction energies of two model systems, benzonitrile (BZN) and formamide (FAM) homodimers, are characterized over a wide range of dimer conformations. It is found that although with MTPs the monomer ab initio ESP can be captured better by about an order of magnitude compared to point charges (PCs), this does not directly translate into better describing ab initio interaction energies compared to PCs. Neither ESP-fitted MTPs nor refitted Lennard-Jones (LJ) parameters alone demonstrate a clear superiority of atomic MTPs. We show that only if both electrostatic and LJ parameters are jointly optimized in standard, nonpolarizable force fields, atomic are MTPs clearly beneficial for reproducing ab initio dimerization energies. After an exhaustive exponent scan, we find that for both BZN and FAM, atomic MTPs and a 9-6 LJ potential can reproduce ab initio interaction energies with ∼30% (RMSD 0.13 vs 0.18 kcal/mol) less error than point charges (PCs) and a 12-6 LJ potential. We also find that the improvement due to using MTPs with a 9-6 LJ potential is considerably more pronounced than with a 12-6 LJ potential (≈ 10%; RMSD 0.19 versus 0.21 kcal/mol).

Heat load studies of a water-cooled minichannel monochromator for synchrotron x-ray beams

NASA Astrophysics Data System (ADS)

Freund, Andreas K.; Arthur, John R.; Zhang, Lin

1997-12-01

We fabricated a water-cooled silicon monochromator crystal with small channels for the special case of a double-crystal fixed-exit monochromator design where the beam walks across the crystal when the x-ray energy is changed. The two parts of the cooled device were assembled using a new technique based on low melting point solder. The bending of the system produced by this technique could be perfectly compensated by mechanical counter-bending. Heat load tests of the monochromator in a synchrotron beam of 75 W total power, 3 mm high and 15 mm wide, generated by a multipole wiggler at SSRL, showed that the thermal slope error of the crystal is 1 arcsec/40 W power, in full agreement with finite element analysis. The cooling scheme is adequate for bending magnet beamlines at the ESRF and present wiggler beamlines at the SSRL.

Network problem threshold

NASA Technical Reports Server (NTRS)

Gejji, Raghvendra, R.

1992-01-01

Network transmission errors such as collisions, CRC errors, misalignment, etc. are statistical in nature. Although errors can vary randomly, a high level of errors does indicate specific network problems, e.g. equipment failure. In this project, we have studied the random nature of collisions theoretically as well as by gathering statistics, and established a numerical threshold above which a network problem is indicated with high probability.

Reference-free error estimation for multiple measurement methods.

PubMed

Madan, Hennadii; Pernuš, Franjo; Špiclin, Žiga

2018-01-01

We present a computational framework to select the most accurate and precise method of measurement of a certain quantity, when there is no access to the true value of the measurand. A typical use case is when several image analysis methods are applied to measure the value of a particular quantitative imaging biomarker from the same images. The accuracy of each measurement method is characterized by systematic error (bias), which is modeled as a polynomial in true values of measurand, and the precision as random error modeled with a Gaussian random variable. In contrast to previous works, the random errors are modeled jointly across all methods, thereby enabling the framework to analyze measurement methods based on similar principles, which may have correlated random errors. Furthermore, the posterior distribution of the error model parameters is estimated from samples obtained by Markov chain Monte-Carlo and analyzed to estimate the parameter values and the unknown true values of the measurand. The framework was validated on six synthetic and one clinical dataset containing measurements of total lesion load, a biomarker of neurodegenerative diseases, which was obtained with four automatic methods by analyzing brain magnetic resonance images. The estimates of bias and random error were in a good agreement with the corresponding least squares regression estimates against a reference.

Magnetic field of longitudinal gradient bend

NASA Astrophysics Data System (ADS)

Aiba, Masamitsu; Böge, Michael; Ehrlichman, Michael; Streun, Andreas

2018-06-01

The longitudinal gradient bend is an effective method for reducing the natural emittance in light sources. It is, however, not a common element. We have analyzed its magnetic field and derived a set of formulae. Based on the derivation, we discuss how to model the longitudinal gradient bend in accelerator codes that are used for designing electron storage rings. Strengths of multipole components can also be evaluated from the formulae, and we investigate the impact of higher order multipole components in a very low emittance lattice.

Neutronics Assessments for a RIA Fragmentation Line Beam Dump Concept

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boles, J L; Reyes, S; Ahle, L E

Heavy ion and radiation transport calculations are in progress for conceptual beam dump designs for the fragmentation line of the proposed Rare Isotope Accelerator (RIA). Using the computer code PHITS, a preliminary design of a motor-driven rotating wheel beam dump and adjacent downstream multipole has been modeled. Selected results of these calculations are given, including neutron and proton flux in the wheel, absorbed dose and displacements per atom in the hub materials, and heating from prompt radiation and from decay heat in the multipole.

Errors in radial velocity variance from Doppler wind lidar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, H.; Barthelmie, R. J.; Doubrawa, P.

A high-fidelity lidar turbulence measurement technique relies on accurate estimates of radial velocity variance that are subject to both systematic and random errors determined by the autocorrelation function of radial velocity, the sampling rate, and the sampling duration. Our paper quantifies the effect of the volumetric averaging in lidar radial velocity measurements on the autocorrelation function and the dependence of the systematic and random errors on the sampling duration, using both statistically simulated and observed data. For current-generation scanning lidars and sampling durations of about 30 min and longer, during which the stationarity assumption is valid for atmospheric flows, themore » systematic error is negligible but the random error exceeds about 10%.« less

Errors in radial velocity variance from Doppler wind lidar

DOE PAGES

Wang, H.; Barthelmie, R. J.; Doubrawa, P.; ...

2016-08-29

A high-fidelity lidar turbulence measurement technique relies on accurate estimates of radial velocity variance that are subject to both systematic and random errors determined by the autocorrelation function of radial velocity, the sampling rate, and the sampling duration. Our paper quantifies the effect of the volumetric averaging in lidar radial velocity measurements on the autocorrelation function and the dependence of the systematic and random errors on the sampling duration, using both statistically simulated and observed data. For current-generation scanning lidars and sampling durations of about 30 min and longer, during which the stationarity assumption is valid for atmospheric flows, themore » systematic error is negligible but the random error exceeds about 10%.« less

Simulation of wave propagation in three-dimensional random media

NASA Astrophysics Data System (ADS)

Coles, Wm. A.; Filice, J. P.; Frehlich, R. G.; Yadlowsky, M.

1995-04-01

Quantitative error analyses for the simulation of wave propagation in three-dimensional random media, when narrow angular scattering is assumed, are presented for plane-wave and spherical-wave geometry. This includes the errors that result from finite grid size, finite simulation dimensions, and the separation of the two-dimensional screens along the propagation direction. Simple error scalings are determined for power-law spectra of the random refractive indices of the media. The effects of a finite inner scale are also considered. The spatial spectra of the intensity errors are calculated and compared with the spatial spectra of

Method of reducing multipole content in a conductor assembly during manufacture

DOEpatents

Meinke, Rainer [Melbourne, FL

2011-08-09

A method for manufacture of a conductor assembly. The assembly is of the type which, when conducting current, generates a magnetic field or in which, in the presence of a changing magnetic field, a voltage is induced. In an example embodiment one or more first coil rows are formed. The assembly has multiple coil rows about an axis with outer coil rows formed about inner coil rows. A determination is made of deviations from specifications associated with the formed one or more first coil rows. One or more deviations correspond to a magnitude of a multipole field component which departs from a field specification. Based on the deviations, one or more wiring patterns are generated for one or more second coil rows to be formed about the one or more first coil rows. The one or more second coil rows are formed in the assembly. The magnitude of each multipole field component that departs from the field specification is offset.

Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids

NASA Astrophysics Data System (ADS)

Chu, Huiying; Peng, Xiangda; Li, Yan; Zhang, Yuebin; Min, Hanyi; Li, Guohui

2018-04-01

A polarizable atomic multipole-based force field for the membrane bilayer models 1,2-dioleoyl-phosphocholine (DOPC) and 1-palmitoyl-2-oleoyl-phosphatidylethanolamine (POPE) has been developed. The force field adopts the same framework as the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) model, in which the charge distribution of each atom is represented by the permanent atomic monopole, dipole and quadrupole moments. Many-body polarization including the inter- and intra-molecular polarization is modelled in a consistent manner with distributed atomic polarizabilities. The van der Waals parameters were first transferred from existing AMOEBA parameters for small organic molecules and then optimised by fitting to ab initio intermolecular interaction energies between models and a water molecule. Molecular dynamics simulations of the two aqueous DOPC and POPE membrane bilayer systems, consisting of 72 model molecules, were then carried out to validate the force field parameters. Membrane width, area per lipid, volume per lipid, deuterium order parameters, electron density profile, etc. were consistent with experimental values.

The evens and odds of CMB anomalies

NASA Astrophysics Data System (ADS)

Gruppuso, A.; Kitazawa, N.; Lattanzi, M.; Mandolesi, N.; Natoli, P.; Sagnotti, A.

2018-06-01

The lack of power of large-angle CMB anisotropies is known to increase its statistical significance at higher Galactic latitudes, where a string-inspired pre-inflationary scale Δ can also be detected. Considering the Planck 2015 data, and relying largely on a Bayesian approach, we show that the effect is mostly driven by the even - ℓ harmonic multipoles with ℓ ≲ 20, which appear sizably suppressed in a way that is robust with respect to Galactic masking, along with the corresponding detections of Δ. On the other hand, the first odd - ℓ multipoles are only suppressed at high Galactic latitudes. We investigate this behavior in different sky masks, constraining Δ through even and odd multipoles, and we elaborate on possible implications. We include low- ℓ polarization data which, despite being noise-limited, help in attaining confidence levels of about 3 σ in the detection of Δ. We also show by direct forecasts that a future all-sky E-mode cosmic-variance-limited polarization survey may push the constraining power for Δ beyond 5 σ.

Simulation of scattered fields: Some guidelines for the equivalent source method

NASA Astrophysics Data System (ADS)

Gounot, Yves J. R.; Musafir, Ricardo E.

2011-07-01

Three different approaches of the equivalent source method for simulating scattered fields are compared: two of them deal with monopole sets, the other with multipole expansions. In the first monopole approach, the sources have fixed positions given by specific rules, while in the second one (ESGA), the optimal positions are determined via a genetic algorithm. The 'pros and cons' of each of these approaches are discussed with the aim of providing practical guidelines for the user. It is shown that while both monopole techniques furnish quite good pressure field reconstructions with simple source arrangements, ESGA requires a number of monopoles significantly smaller and, with equal number of sources, yields a better precision. As for the multipole technique, the main advantage is that in principle any precision can be reached, provided the source order is sufficiently high. On the other hand, the results point out that the lack of rules for determining the proper multipole order necessary for a desired precision may constitute a handicap for the user.

Method of reducing multipole content in a conductor assembly during manufacture

DOEpatents

Meinke, Rainer

2013-08-20

A method for manufacture of a conductor assembly. The assembly is of the type which, when conducting current, generates a magnetic field or in which, in the presence of a changing magnetic field, a voltage is induced. In an example embodiment one or more first coil rows are formed. The assembly has multiple coil rows about an axis with outer coil rows formed about inner coil rows. A determination is made of deviations from specifications associated with the formed one or more first coil rows. One or more deviations correspond to a magnitude of a multipole field component which departs from a field specification. Based on the deviations, one or more wiring patterns are generated for one or more second coil rows to be formed about the one or more first coil rows. The one or more second coil rows are formed in the assembly. The magnitude of each multipole field component that departs from the field specification is offset.

Multipole mixing ratios and substate populations in Rn-219

NASA Astrophysics Data System (ADS)

Jones, G. D.

2016-08-01

Historical alpha-gamma angular correlation data for the decay of 223Ra into excited states of 219Rn have been analysed, using the correct spins of the states involved, for the first time. The analyses produced multipole mixing ratios (E2/M1) of δ (144)=-0.11\\+/- 0.03, δ (154)=0, δ (158)=-0.205\\+/- 0.018 and δ (269)=-0.149\\+/- 0.004 where the nominal transition energies, in keV, are given in brackets. These values are consistent with published values obtained from internal conversion electron spectroscopy. It is also found that δ (324)=0 and δ (338)=-0.235\\+/- 0.030 (where both values differ from current tabulations) and that the sign of the multipole mixing ratio for the 122 keV transition is negative. The 158, 269 and 338 keV states are found to be aligned with high population of M=+/- 3/2 substates and the 127 keV state is believed to have undergone spin relaxation.

Real-time digital signal recovery for a multi-pole low-pass transfer function system.

PubMed

Lee, Jhinhwan

2017-08-01

In order to solve the problems of waveform distortion and signal delay by many physical and electrical systems with multi-pole linear low-pass transfer characteristics, a simple digital-signal-processing (DSP)-based method of real-time recovery of the original source waveform from the distorted output waveform is proposed. A mathematical analysis on the convolution kernel representation of the single-pole low-pass transfer function shows that the original source waveform can be accurately recovered in real time using a particular moving average algorithm applied on the input stream of the distorted waveform, which can also significantly reduce the overall delay time constant. This method is generalized for multi-pole low-pass systems and has noise characteristics of the inverse of the low-pass filter characteristics. This method can be applied to most sensors and amplifiers operating close to their frequency response limits to improve the overall performance of data acquisition systems and digital feedback control systems.

The Anisotropy of the Microwave Background to l = 3500: Deep Field Observations with the Cosmic Background Imager

NASA Technical Reports Server (NTRS)

Mason, B. S.; Pearson, T. J.; Readhead, A. C. S.; Shepherd, M. C.; Sievers, J.; Udomprasert, P. S.; Cartwright, J. K.; Farmer, A. J.; Padin, S.; Myers, S. T.;

Design study of beam position monitors for measuring second-order moments of charged particle beams

NASA Astrophysics Data System (ADS)

Yanagida, Kenichi; Suzuki, Shinsuke; Hanaki, Hirofumi

2012-01-01

This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM) that detects higher-order (multipole) moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420μm (circular) and ≧550μm (elliptical).

A fast Fourier transform on multipoles (FFTM) algorithm for solving Helmholtz equation in acoustics analysis.

PubMed

Ong, Eng Teo; Lee, Heow Pueh; Lim, Kian Meng

2004-09-01

This article presents a fast algorithm for the efficient solution of the Helmholtz equation. The method is based on the translation theory of the multipole expansions. Here, the speedup comes from the convolution nature of the translation operators, which can be evaluated rapidly using fast Fourier transform algorithms. Also, the computations of the translation operators are accelerated by using the recursive formulas developed recently by Gumerov and Duraiswami [SIAM J. Sci. Comput. 25, 1344-1381(2003)]. It is demonstrated that the algorithm can produce good accuracy with a relatively low order of expansion. Efficiency analyses of the algorithm reveal that it has computational complexities of O(Na), where a ranges from 1.05 to 1.24. However, this method requires substantially more memory to store the translation operators as compared to the fast multipole method. Hence, despite its simplicity in implementation, this memory requirement issue may limit the application of this algorithm to solving very large-scale problems.

Scattering from binary optics

NASA Technical Reports Server (NTRS)

Ricks, Douglas W.

1993-01-01

There are a number of sources of scattering in binary optics: etch depth errors, line edge errors, quantization errors, roughness, and the binary approximation to the ideal surface. These sources of scattering can be systematic (deterministic) or random. In this paper, scattering formulas for both systematic and random errors are derived using Fourier optics. These formulas can be used to explain the results of scattering measurements and computer simulations.

The effects of recall errors and of selection bias in epidemiologic studies of mobile phone use and cancer risk.

PubMed

Vrijheid, Martine; Deltour, Isabelle; Krewski, Daniel; Sanchez, Marie; Cardis, Elisabeth

2006-07-01

This paper examines the effects of systematic and random errors in recall and of selection bias in case-control studies of mobile phone use and cancer. These sensitivity analyses are based on Monte-Carlo computer simulations and were carried out within the INTERPHONE Study, an international collaborative case-control study in 13 countries. Recall error scenarios simulated plausible values of random and systematic, non-differential and differential recall errors in amount of mobile phone use reported by study subjects. Plausible values for the recall error were obtained from validation studies. Selection bias scenarios assumed varying selection probabilities for cases and controls, mobile phone users, and non-users. Where possible these selection probabilities were based on existing information from non-respondents in INTERPHONE. Simulations used exposure distributions based on existing INTERPHONE data and assumed varying levels of the true risk of brain cancer related to mobile phone use. Results suggest that random recall errors of plausible levels can lead to a large underestimation in the risk of brain cancer associated with mobile phone use. Random errors were found to have larger impact than plausible systematic errors. Differential errors in recall had very little additional impact in the presence of large random errors. Selection bias resulting from underselection of unexposed controls led to J-shaped exposure-response patterns, with risk apparently decreasing at low to moderate exposure levels. The present results, in conjunction with those of the validation studies conducted within the INTERPHONE study, will play an important role in the interpretation of existing and future case-control studies of mobile phone use and cancer risk, including the INTERPHONE study.

Development of Fast Algorithms Using Recursion, Nesting and Iterations for Computational Electromagnetics

NASA Technical Reports Server (NTRS)

Chew, W. C.; Song, J. M.; Lu, C. C.; Weedon, W. H.

1995-01-01

In the first phase of our work, we have concentrated on laying the foundation to develop fast algorithms, including the use of recursive structure like the recursive aggregate interaction matrix algorithm (RAIMA), the nested equivalence principle algorithm (NEPAL), the ray-propagation fast multipole algorithm (RPFMA), and the multi-level fast multipole algorithm (MLFMA). We have also investigated the use of curvilinear patches to build a basic method of moments code where these acceleration techniques can be used later. In the second phase, which is mainly reported on here, we have concentrated on implementing three-dimensional NEPAL on a massively parallel machine, the Connection Machine CM-5, and have been able to obtain some 3D scattering results. In order to understand the parallelization of codes on the Connection Machine, we have also studied the parallelization of 3D finite-difference time-domain (FDTD) code with PML material absorbing boundary condition (ABC). We found that simple algorithms like the FDTD with material ABC can be parallelized very well allowing us to solve within a minute a problem of over a million nodes. In addition, we have studied the use of the fast multipole method and the ray-propagation fast multipole algorithm to expedite matrix-vector multiplication in a conjugate-gradient solution to integral equations of scattering. We find that these methods are faster than LU decomposition for one incident angle, but are slower than LU decomposition when many incident angles are needed as in the monostatic RCS calculations.

Experimental study of the formation of field-reversed configurations employing high-order multipole fields

NASA Astrophysics Data System (ADS)

Slough, J. T.; Hoffman, A. L.

1990-04-01

A high-order multipole ``barrier'' field was applied at the vacuum tube wall in the TRX experiment [Phys. Fluids B 1, 840 (1989)] during both the preionization and field reversal phases of field-reversed configuration (FRC) formation. Use of this field during field reversal resulted in a significant reduction of impurities as well as increased flux trapping. With a large enough Bθ at the wall, sheath detachment from the wall became apparent, and flux loss through the sheath became negligible (<10%). At larger wall Bθ (>1.5 kG), destructive rotational spin-up occurred, driven by Hall current forces. When the multipole barrier field was also applied during either axial discharge or ringing theta current preionization, a very symmetric and uniform breakdown of the fill gas was achieved. In particular, using ringing theta preionization, complete ionization of the fill gas was accomplished with purely inductive fields of remarkably low magnitude, where Ez≤3 V/cm, and Eθ≤20 V/cm. Due to the improved ionization symmetry, about 65% to 75% of the lift-off flux (flux remaining after field reversal) could be retained through the remaining formation processes into an equilibrium FRC. Using the multipole field during both preionization and formation, it was possible to form FRC's with good confinement with greater than 3 mWb of trapped flux at 15 mTorr D2 or H2 in a 10 cm radius device. Values of s in excess of 4 could be achieved in this manner.

Calculations of molecular multipole electric moments of a series of exo-insaturated four-membered heterocycles, Y = CCH2CH2X

NASA Astrophysics Data System (ADS)

Romero, Angel H.

2017-10-01

The influence of ring puckering angle on the multipole moments of sixteen four-membered heterocycles (1-16) was theoretically estimated using MP2 and different DFTs in combination with the 6-31+G(d,p) basis set. To obtain an accurate evaluation, CCSD/cc-pVDZ level and, the MP2 and PBE1PBE methods in combination with the aug-cc-pVDZ and aug-cc-pVTZ basis sets were performed on the planar geometries of 1-16. In general, the DFT and MP2 approaches provided an identical dependence of the electrical properties with the puckering angle for 1-16. Quantitatively, the quality of the level of theory and basis sets affects significant the predictions of the multipole moments, in particular for the heterocycles containing C=O and C=S bonds. Convergence basis sets within the MP2 and PBE1PBE approximations are reached in the dipole moment calculations when the aug-cc-pVTZ basis set is used, while the quadrupole and octupole moment computations require a larger basis set than aug-cc-pVTZ. On the other hand, the multipole moments showed a strong dependence with the molecular geometry and the nature of the carbon-heteroatom bonds. Specifically, the C-X bond determines the behavior of the μ(ϕ), θ(ϕ) and Ώ(ϕ) functions, while the C=Y bond plays an important role in the magnitude of the studied properties.

Demonstrating the robustness of population surveillance data: implications of error rates on demographic and mortality estimates.

PubMed

Fottrell, Edward; Byass, Peter; Berhane, Yemane

2008-03-25

As in any measurement process, a certain amount of error may be expected in routine population surveillance operations such as those in demographic surveillance sites (DSSs). Vital events are likely to be missed and errors made no matter what method of data capture is used or what quality control procedures are in place. The extent to which random errors in large, longitudinal datasets affect overall health and demographic profiles has important implications for the role of DSSs as platforms for public health research and clinical trials. Such knowledge is also of particular importance if the outputs of DSSs are to be extrapolated and aggregated with realistic margins of error and validity. This study uses the first 10-year dataset from the Butajira Rural Health Project (BRHP) DSS, Ethiopia, covering approximately 336,000 person-years of data. Simple programmes were written to introduce random errors and omissions into new versions of the definitive 10-year Butajira dataset. Key parameters of sex, age, death, literacy and roof material (an indicator of poverty) were selected for the introduction of errors based on their obvious importance in demographic and health surveillance and their established significant associations with mortality. Defining the original 10-year dataset as the 'gold standard' for the purposes of this investigation, population, age and sex compositions and Poisson regression models of mortality rate ratios were compared between each of the intentionally erroneous datasets and the original 'gold standard' 10-year data. The composition of the Butajira population was well represented despite introducing random errors, and differences between population pyramids based on the derived datasets were subtle. Regression analyses of well-established mortality risk factors were largely unaffected even by relatively high levels of random errors in the data. The low sensitivity of parameter estimates and regression analyses to significant amounts of randomly introduced errors indicates a high level of robustness of the dataset. This apparent inertia of population parameter estimates to simulated errors is largely due to the size of the dataset. Tolerable margins of random error in DSS data may exceed 20%. While this is not an argument in favour of poor quality data, reducing the time and valuable resources spent on detecting and correcting random errors in routine DSS operations may be justifiable as the returns from such procedures diminish with increasing overall accuracy. The money and effort currently spent on endlessly correcting DSS datasets would perhaps be better spent on increasing the surveillance population size and geographic spread of DSSs and analysing and disseminating research findings.

ELLIPTICAL WEIGHTED HOLICs FOR WEAK LENSING SHEAR MEASUREMENT. III. THE EFFECT OF RANDOM COUNT NOISE ON IMAGE MOMENTS IN WEAK LENSING ANALYSIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okura, Yuki; Futamase, Toshifumi, E-mail: yuki.okura@nao.ac.jp, E-mail: tof@astr.tohoku.ac.jp

This is the third paper on the improvement of systematic errors in weak lensing analysis using an elliptical weight function, referred to as E-HOLICs. In previous papers, we succeeded in avoiding errors that depend on the ellipticity of the background image. In this paper, we investigate the systematic error that depends on the signal-to-noise ratio of the background image. We find that the origin of this error is the random count noise that comes from the Poisson noise of sky counts. The random count noise makes additional moments and centroid shift error, and those first-order effects are canceled in averaging,more » but the second-order effects are not canceled. We derive the formulae that correct this systematic error due to the random count noise in measuring the moments and ellipticity of the background image. The correction formulae obtained are expressed as combinations of complex moments of the image, and thus can correct the systematic errors caused by each object. We test their validity using a simulated image and find that the systematic error becomes less than 1% in the measured ellipticity for objects with an IMCAT significance threshold of {nu} {approx} 11.7.« less

Spin-flip isovector giant resonances from the 90Zr(n,p)90Y reaction at 198 MeV

NASA Astrophysics Data System (ADS)

Raywood, K. J.; Spicer, B. M.; Yen, S.; Long, S. A.; Moinester, M. A.; Abegg, R.; Alford, W. P.; Celler, A.; Drake, T. E.; Frekers, D.; Green, P. E.; Häusser, O.; Helmer, R. L.; Henderson, R. S.; Hicks, K. H.; Jackson, K. P.; Jeppesen, R. G.; King, J. D.; King, N. S.; Miller, C. A.; Officer, V. C.; Schubank, R.; Shute, G. G.; Vetterli, M.; Watson, J.; Yavin, A. I.

1990-06-01

Doubly differential cross sections of the reaction 90Zr(n,p)90Y have been measured at 198 MeV for excitations up to 38 MeV in the residual nucleus. An overall resolution of 1.3 MeV was achieved. The spectra show qualitative agreement in shape and magnitude with recent random phase approximation calculations; however, all of the calculations underestimate the high excitation region of the spectra. A multipole decomposition of the data has been performed using differential cross sections calculated in the distorted-wave impulse approximation. An estimate of the Gamow-Teller strength in the reaction is given. The isovector spin-flip dipole giant resonance has been identified and there is also an indication of isovector monopole strength.

Parity violation constraints using cosmic microwave background polarization spectra from 2006 and 2007 observations by the QUaD polarimeter.

PubMed

Wu, E Y S; Ade, P; Bock, J; Bowden, M; Brown, M L; Cahill, G; Castro, P G; Church, S; Culverhouse, T; Friedman, R B; Ganga, K; Gear, W K; Gupta, S; Hinderks, J; Kovac, J; Lange, A E; Leitch, E; Melhuish, S J; Memari, Y; Murphy, J A; Orlando, A; Piccirillo, L; Pryke, C; Rajguru, N; Rusholme, B; Schwarz, R; O'Sullivan, C; Taylor, A N; Thompson, K L; Turner, A H; Zemcov, M

2009-04-24

We constrain parity-violating interactions to the surface of last scattering using spectra from the QUaD experiment's second and third seasons of observations by searching for a possible systematic rotation of the polarization directions of cosmic microwave background photons. We measure the rotation angle due to such a possible "cosmological birefringence" to be 0.55 degrees +/-0.82 degrees (random) +/-0.5 degrees (systematic) using QUaD's 100 and 150 GHz temperature-curl and gradient-curl spectra over the spectra over the multipole range 200

Identifying sensitive areas of adaptive observations for prediction of the Kuroshio large meander using a shallow-water model

NASA Astrophysics Data System (ADS)

Zou, Guang'an; Wang, Qiang; Mu, Mu

2016-09-01

Sensitive areas for prediction of the Kuroshio large meander using a 1.5-layer, shallow-water ocean model were investigated using the conditional nonlinear optimal perturbation (CNOP) and first singular vector (FSV) methods. A series of sensitivity experiments were designed to test the sensitivity of sensitive areas within the numerical model. The following results were obtained: (1) the eff ect of initial CNOP and FSV patterns in their sensitive areas is greater than that of the same patterns in randomly selected areas, with the eff ect of the initial CNOP patterns in CNOP sensitive areas being the greatest; (2) both CNOP- and FSV-type initial errors grow more quickly than random errors; (3) the eff ect of random errors superimposed on the sensitive areas is greater than that of random errors introduced into randomly selected areas, and initial errors in the CNOP sensitive areas have greater eff ects on final forecasts. These results reveal that the sensitive areas determined using the CNOP are more sensitive than those of FSV and other randomly selected areas. In addition, ideal hindcasting experiments were conducted to examine the validity of the sensitive areas. The results indicate that reduction (or elimination) of CNOP-type errors in CNOP sensitive areas at the initial time has a greater forecast benefit than the reduction (or elimination) of FSV-type errors in FSV sensitive areas. These results suggest that the CNOP method is suitable for determining sensitive areas in the prediction of the Kuroshio large-meander path.

Portable and Error-Free DNA-Based Data Storage.

PubMed

Yazdi, S M Hossein Tabatabaei; Gabrys, Ryan; Milenkovic, Olgica

2017-07-10

DNA-based data storage is an emerging nonvolatile memory technology of potentially unprecedented density, durability, and replication efficiency. The basic system implementation steps include synthesizing DNA strings that contain user information and subsequently retrieving them via high-throughput sequencing technologies. Existing architectures enable reading and writing but do not offer random-access and error-free data recovery from low-cost, portable devices, which is crucial for making the storage technology competitive with classical recorders. Here we show for the first time that a portable, random-access platform may be implemented in practice using nanopore sequencers. The novelty of our approach is to design an integrated processing pipeline that encodes data to avoid costly synthesis and sequencing errors, enables random access through addressing, and leverages efficient portable sequencing via new iterative alignment and deletion error-correcting codes. Our work represents the only known random access DNA-based data storage system that uses error-prone nanopore sequencers, while still producing error-free readouts with the highest reported information rate/density. As such, it represents a crucial step towards practical employment of DNA molecules as storage media.

Simulation of the Effects of Random Measurement Errors

ERIC Educational Resources Information Center

Kinsella, I. A.; Hannaidh, P. B. O.

1978-01-01

Describes a simulation method for measurement of errors that requires calculators and tables of random digits. Each student simulates the random behaviour of the component variables in the function and by combining the results of all students, the outline of the sampling distribution of the function can be obtained. (GA)

Stress fields and energy of disclination-type defects in zones of localized elastic distortions

NASA Astrophysics Data System (ADS)

Sukhanov, Ivan I.; Tyumentsev, Alexander N.; Ditenberg, Ivan A.

2016-11-01

This paper studies theoretically the elastically deformed state and analyzes deformation mechanisms in nanocrystals in the zones of localized elastic distortions and related disclination-type defects, such as dipole, quadrupole and multipole of partial disclinations. Significant differences in the energies of quadrupole and multipole configurations in comparison with nanodipole are revealed. The mechanism of deformation localization in the field of elastic distortions is proposed, which is a quasi-periodic sequence of formation and relaxation of various disclination ensembles with a periodic change in the energy of the defect.

Multipole Plasmon Resonances in Gold Nanorods

PubMed Central

Payne, Emma Kathryn; Shuford, Kevin L.; Park, Sungho; Schatz, George C.

2011-01-01

The optical properties of gold rods electrochemically deposited in anodic aluminum oxide templates have been investigated. Homogeneous suspensions of rods with average diameter of 85 nm and varying lengths of 96, 186, 321, 465, 495, 578, 641, 735, and 1175 nm were fabricated. The purity and dimensions of these rod nanostructures allowed us to observe higher order multipole resonances for the first time in a colloidal suspension. The experimental optical spectra agree with discrete dipole approximation calculations that have been modeled from the dimensions of the gold nanorods. PMID:16471797

Development of multiple-eye PIV using mirror array

NASA Astrophysics Data System (ADS)

Maekawa, Akiyoshi; Sakakibara, Jun

2018-06-01

In order to reduce particle image velocimetry measurement error, we manufactured an ellipsoidal polyhedral mirror and placed it between a camera and flow target to capture n images of identical particles from n (=80 maximum) different directions. The 3D particle positions were determined from the ensemble average of n C2 intersecting points of a pair of line-of-sight back-projected points from a particle found in any combination of two images in the n images. The method was then applied to a rigid-body rotating flow and a turbulent pipe flow. In the former measurement, bias error and random error fell in a range of  ±0.02 pixels and 0.02–0.05 pixels, respectively; additionally, random error decreased in proportion to . In the latter measurement, in which the measured value was compared to direct numerical simulation, bias error was reduced and random error also decreased in proportion to .

BOOK REVIEW: Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications

NASA Astrophysics Data System (ADS)

Sihvola, Ari

2005-03-01

`Good reasons must, of force, give place to better', observes Brutus to Cassius, according to William Shakespeare in Julius Caesar. Roger Raab and Owen de Lange seem to agree, as they cite this sentence in the concluding chapter of their new book on the importance of exact multipole analysis in macroscopic electromagnetics. Very true and essential to remember in our daily research work. The two scientists from the University of Natal in Pietermaritzburg, South Africa (presently University of KwaZulu-Natal) have been working for a very long time on the accurate description of electric and magnetic response of matter and have published much of their findings in various physics journals. The present book gives us a clear and coherent exposition of many of these results. The important message of Raab and de Lange is that in the macroscopic description of matter, a correct balance between the various orders of electric and magnetic multipole terms has to be respected. If the inclusion of magnetic dipole terms is not complemented with electric quadrupoles, there is a risk of losing the translational invariance of certain important quantities. This means that the values of these quantities depend on the choice of the origin! `It canÂ't be Nature, for it is not sense' is another of the apt literary citations in the book. Often monographs written by researchers look like they have been produced using a cut-and-paste technique; earlier published articles are included in the same book but, unfortunately, too little additional effort is expended into moulding the totality into a unified story. This is not the case with Raab and de Lange. The structure and the text flow of the book serve perfectly its important message. After the obligatory introduction of material response to electromagnetic fields, constitutive relations, basic quantum theory and spacetime properties, a chapter follows with transmission and scattering effects where everything seems to work well with the `old' multipole theory. But then the focus is shifted to observables associated with the reflection of waves from a surface. And there the classical analysis fails. This gives the motivation for the following chapters where the transformed multipole theory is represented. As expected, the correct multipole balance restores the physicality of the results in the reflection problem. One of the healthy reminders for an electrical engineer-scientist reading the book is the fact that E and B are the primary electric and magnetic fields. The other two field quantities, D and H, are the response fields (which, by the way, are also shown to be origin-dependent and poorly\\endcolumn defined in the framework of classical multipole theory). In defence, however, for these poor latter quantities one can mention the many advantages of the engineering-type constitutive relations where D and B are expressed as responses to E and H. An example is the beautiful symmetry and complete analogy between the electric and magnetic quantities (voltage becomes current and vice versa in the duality transformation) which helps us write down solutions to electromagnetic problems from other known cases. From a pragmatic point of view we would also favour the use of quantities like Poynting vector and energy density (which require the H field). Another discussion-provoking question to the authors of the book might be whether their new multipole balance could be broken in the analysis of artificial materials. New nanotechnological discoveries and devices make it look like engineers can do anything. Perhaps in the design of complex media and metamaterials, a hot topic in todayÂ's materials science, such macroscopic responses can be tailored where a certain high-order multipole contribution dominates over other, more basic ones. Multiple Theory in Electromagnetism is suitable for a broad spectrum of readers: solid-state physicists, molecular chemists, theoretical and experimental optics scientists, radiophysics experts, electromagnetists and other electrical engineers, students and working scientists alike. This is a wonderful book. It certainly should appeal to them all.

Effects of Random Circuit Fabrication Errors on Small Signal Gain and on Output Phase In a Traveling Wave Tube

NASA Astrophysics Data System (ADS)

Rittersdorf, I. M.; Antonsen, T. M., Jr.; Chernin, D.; Lau, Y. Y.

2011-10-01

Random fabrication errors may have detrimental effects on the performance of traveling-wave tubes (TWTs) of all types. A new scaling law for the modification in the average small signal gain and in the output phase is derived from the third order ordinary differential equation that governs the forward wave interaction in a TWT in the presence of random error that is distributed along the axis of the tube. Analytical results compare favorably with numerical results, in both gain and phase modifications as a result of random error in the phase velocity of the slow wave circuit. Results on the effect of the reverse-propagating circuit mode will be reported. This work supported by AFOSR, ONR, L-3 Communications Electron Devices, and Northrop Grumman Corporation.

At least some errors are randomly generated (Freud was wrong)

NASA Technical Reports Server (NTRS)

Sellen, A. J.; Senders, J. W.

1986-01-01

An experiment was carried out to expose something about human error generating mechanisms. In the context of the experiment, an error was made when a subject pressed the wrong key on a computer keyboard or pressed no key at all in the time allotted. These might be considered, respectively, errors of substitution and errors of omission. Each of seven subjects saw a sequence of three digital numbers, made an easily learned binary judgement about each, and was to press the appropriate one of two keys. Each session consisted of 1,000 presentations of randomly permuted, fixed numbers broken into 10 blocks of 100. One of two keys should have been pressed within one second of the onset of each stimulus. These data were subjected to statistical analyses in order to probe the nature of the error generating mechanisms. Goodness of fit tests for a Poisson distribution for the number of errors per 50 trial interval and for an exponential distribution of the length of the intervals between errors were carried out. There is evidence for an endogenous mechanism that may best be described as a random error generator. Furthermore, an item analysis of the number of errors produced per stimulus suggests the existence of a second mechanism operating on task driven factors producing exogenous errors. Some errors, at least, are the result of constant probability generating mechanisms with error rate idiosyncratically determined for each subject.

On the Calculation of Uncertainty Statistics with Error Bounds for CFD Calculations Containing Random Parameters and Fields

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2016-01-01

This chapter discusses the ongoing development of combined uncertainty and error bound estimates for computational fluid dynamics (CFD) calculations subject to imposed random parameters and random fields. An objective of this work is the construction of computable error bound formulas for output uncertainty statistics that guide CFD practitioners in systematically determining how accurately CFD realizations should be approximated and how accurately uncertainty statistics should be approximated for output quantities of interest. Formal error bounds formulas for moment statistics that properly account for the presence of numerical errors in CFD calculations and numerical quadrature errors in the calculation of moment statistics have been previously presented in [8]. In this past work, hierarchical node-nested dense and sparse tensor product quadratures are used to calculate moment statistics integrals. In the present work, a framework has been developed that exploits the hierarchical structure of these quadratures in order to simplify the calculation of an estimate of the quadrature error needed in error bound formulas. When signed estimates of realization error are available, this signed error may also be used to estimate output quantity of interest probability densities as a means to assess the impact of realization error on these density estimates. Numerical results are presented for CFD problems with uncertainty to demonstrate the capabilities of this framework.

Theory of elastic interaction between arbitrary colloidal particles in confined nematic liquid crystals.

PubMed

Tovkach, O M; Chernyshuk, S B; Lev, B I

2012-12-01

We develop the method proposed by Chernyshuk and Lev [Phys. Rev. E 81, 041701 (2010)] for theoretical investigation of elastic interactions between colloidal particles of arbitrary shape and chirality (polar as well as azimuthal anchoring) in the confined nematic liquid crystal (NLC). General expressions for six different types of multipole elastic interactions are obtained in the confined NLC: monopole-monopole (Coulomb type), monopole-dipole, monopole-quadrupole, dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. The obtained formulas remain valid in the presence of the external electric or magnetic fields. The exact equations are found for all multipole coefficients for the weak anchoring case. For the strong anchoring coupling, the connection between the symmetry of the shape or director and multipole coefficients is obtained, which enables us to predict which multipole coefficients vanish and which remain nonzero. The particles with azimuthal helicoid anchoring are considered as an example. Dipole-dipole interactions between helicoid cylinders and cones are found in the confined NLC. In addition, the banana-shaped particles in homeotropic and planar nematic cells are considered. It is found that the dipole-dipole interaction between banana-shaped particles differs greatly from the dipole-dipole interaction between the axially symmetrical particles in the nematic cell. There is a crossover from attraction to repulsion between banana particles along some directions in nematic cells. It is shown that monopoles do not "feel" the type of nematic cell: monopole-monopole interaction turns out to be the same in homeotropic and planar nematic cells and converges to the Coulomb law as thickness increases, L→∞.

Using Audit Information to Adjust Parameter Estimates for Data Errors in Clinical Trials

PubMed Central

Shepherd, Bryan E.; Shaw, Pamela A.; Dodd, Lori E.

2013-01-01

Background Audits are often performed to assess the quality of clinical trial data, but beyond detecting fraud or sloppiness, the audit data is generally ignored. In earlier work using data from a non-randomized study, Shepherd and Yu (2011) developed statistical methods to incorporate audit results into study estimates, and demonstrated that audit data could be used to eliminate bias. Purpose In this manuscript we examine the usefulness of audit-based error-correction methods in clinical trial settings where a continuous outcome is of primary interest. Methods We demonstrate the bias of multiple linear regression estimates in general settings with an outcome that may have errors and a set of covariates for which some may have errors and others, including treatment assignment, are recorded correctly for all subjects. We study this bias under different assumptions including independence between treatment assignment, covariates, and data errors (conceivable in a double-blinded randomized trial) and independence between treatment assignment and covariates but not data errors (possible in an unblinded randomized trial). We review moment-based estimators to incorporate the audit data and propose new multiple imputation estimators. The performance of estimators is studied in simulations. Results When treatment is randomized and unrelated to data errors, estimates of the treatment effect using the original error-prone data (i.e., ignoring the audit results) are unbiased. In this setting, both moment and multiple imputation estimators incorporating audit data are more variable than standard analyses using the original data. In contrast, in settings where treatment is randomized but correlated with data errors and in settings where treatment is not randomized, standard treatment effect estimates will be biased. And in all settings, parameter estimates for the original, error-prone covariates will be biased. Treatment and covariate effect estimates can be corrected by incorporating audit data using either the multiple imputation or moment-based approaches. Bias, precision, and coverage of confidence intervals improve as the audit size increases. Limitations The extent of bias and the performance of methods depend on the extent and nature of the error as well as the size of the audit. This work only considers methods for the linear model. Settings much different than those considered here need further study. Conclusions In randomized trials with continuous outcomes and treatment assignment independent of data errors, standard analyses of treatment effects will be unbiased and are recommended. However, if treatment assignment is correlated with data errors or other covariates, naive analyses may be biased. In these settings, and when covariate effects are of interest, approaches for incorporating audit results should be considered. PMID:22848072

Magnetic ground state of Sr 2 IrO 4 and implications for second-harmonic generation

DOE PAGES

Di Matteo, S.; Norman, M. R.

2016-08-24

The currently accepted magnetic ground state of Sr 2IrO 4 (the -++- state) preserves inversion symmetry. This is at odds, though, with recent experiments that indicate a magnetoelectric ground state, leading to the speculation that orbital currents or more exotic magnetic multipoles might exist in this material. In this paper, we analyze various magnetic configurations and demonstrate that two of them, the magnetoelectric -+-+ state and the nonmagnetoelectric ++++ state, can explain these recent second-harmonic generation (SHG) experiments, obviating the need to invoke orbital currents. The SHG-probed magnetic order parameter has the symmetry of a parity-breaking multipole in the -+-+more » state and of a parity-preserving multipole in the ++++ state. We speculate that either might have been created by the laser pump used in the experiments. An alternative is that the observed magnetic SHG signal is a surface effect. Finally, we suggest experiments that could be performed to test these various possibilities and also address the important issue of the suppression of the RXS intensity at the L 2 edge.« less

Magnetic ground state of Sr 2 IrO 4 and implications for second-harmonic generation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Matteo, S.; Norman, M. R.

The currently accepted magnetic ground state of Sr 2IrO 4 (the -++- state) preserves inversion symmetry. This is at odds, though, with recent experiments that indicate a magnetoelectric ground state, leading to the speculation that orbital currents or more exotic magnetic multipoles might exist in this material. In this paper, we analyze various magnetic configurations and demonstrate that two of them, the magnetoelectric -+-+ state and the nonmagnetoelectric ++++ state, can explain these recent second-harmonic generation (SHG) experiments, obviating the need to invoke orbital currents. The SHG-probed magnetic order parameter has the symmetry of a parity-breaking multipole in the -+-+more » state and of a parity-preserving multipole in the ++++ state. We speculate that either might have been created by the laser pump used in the experiments. An alternative is that the observed magnetic SHG signal is a surface effect. Finally, we suggest experiments that could be performed to test these various possibilities and also address the important issue of the suppression of the RXS intensity at the L 2 edge.« less

Multipole and field uniformity tailoring of a 750 MHz rf dipole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delayen, Jean R.; Castillo, Alejandro

2014-12-01

In recent years great interest has been shown in developing rf structures for beam separation, correction of geometrical degradation on luminosity, and diagnostic applications in both lepton and hadron machines. The rf dipole being a very promising one among all of them. The rf dipole has been tested and proven to have attractive properties that include high shunt impedance, low and balance surface fields, absence of lower order modes and far-spaced higher order modes that simplify their damping scheme. As well as to be a compact and versatile design in a considerable range of frequencies, its fairly simple geometry dependencymore » is suitable both for fabrication and surface treatment. The rf dipole geometry can also be optimized for lowering multipacting risk and multipole tailoring to meet machine specific field uniformity tolerances. In the present work a survey of field uniformities, and multipole contents for a set of 750 MHz rf dipole designs is presented as both a qualitative and quantitative analysis of the inherent flexibility of the structure and its limitations.« less

A Simple Force-Motion Relation for Migrating Cells Revealed by Multipole Analysis of Traction Stress

PubMed Central

Tanimoto, Hirokazu; Sano, Masaki

2014-01-01

For biophysical understanding of cell motility, the relationship between mechanical force and cell migration must be uncovered, but it remains elusive. Since cells migrate at small scale in dissipative circumstances, the inertia force is negligible and all forces should cancel out. This implies that one must quantify the spatial pattern of the force instead of just the summation to elucidate the force-motion relation. Here, we introduced multipole analysis to quantify the traction stress dynamics of migrating cells. We measured the traction stress of Dictyostelium discoideum cells and investigated the lowest two moments, the force dipole and quadrupole moments, which reflect rotational and front-rear asymmetries of the stress field. We derived a simple force-motion relation in which cells migrate along the force dipole axis with a direction determined by the force quadrupole. Furthermore, as a complementary approach, we also investigated fine structures in the stress field that show front-rear asymmetric kinetics consistent with the multipole analysis. The tight force-motion relation enables us to predict cell migration only from the traction stress patterns. PMID:24411233

Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.

PubMed

Li, Min; Zhang, John Z H

2017-02-14

A recently developed two-bead multipole force field (TMFF) is employed in coarse-grained (CG) molecular dynamics (MD) simulation of proteins in combination with polarizable CG water models, the Martini polarizable water model, and modified big multipole water model. Significant improvement in simulated structures and dynamics of proteins is observed in terms of both the root-mean-square deviations (RMSDs) of the structures and residue root-mean-square fluctuations (RMSFs) from the native ones in the present simulation compared with the simulation result with Martini's non-polarizable water model. Our result shows that TMFF simulation using CG water models gives much stable secondary structures of proteins without the need for adding extra interaction potentials to constrain the secondary structures. Our result also shows that by increasing the MD time step from 2 fs to 6 fs, the RMSD and RMSF results are still in excellent agreement with those from all-atom simulations. The current study demonstrated clearly that the application of TMFF together with a polarizable CG water model significantly improves the accuracy and efficiency for CG simulation of proteins.

Protein simulation using coarse-grained two-bead multipole force field with polarizable water models

NASA Astrophysics Data System (ADS)

Li, Min; Zhang, John Z. H.

2017-02-01

A recently developed two-bead multipole force field (TMFF) is employed in coarse-grained (CG) molecular dynamics (MD) simulation of proteins in combination with polarizable CG water models, the Martini polarizable water model, and modified big multipole water model. Significant improvement in simulated structures and dynamics of proteins is observed in terms of both the root-mean-square deviations (RMSDs) of the structures and residue root-mean-square fluctuations (RMSFs) from the native ones in the present simulation compared with the simulation result with Martini's non-polarizable water model. Our result shows that TMFF simulation using CG water models gives much stable secondary structures of proteins without the need for adding extra interaction potentials to constrain the secondary structures. Our result also shows that by increasing the MD time step from 2 fs to 6 fs, the RMSD and RMSF results are still in excellent agreement with those from all-atom simulations. The current study demonstrated clearly that the application of TMFF together with a polarizable CG water model significantly improves the accuracy and efficiency for CG simulation of proteins.

Multipole expansions and Fock symmetry of the hydrogen atom

NASA Astrophysics Data System (ADS)

Meremianin, A. V.; Rost, J.-M.

2006-10-01

The main difficulty in utilizing the O(4) symmetry of the hydrogen atom in practical calculations is the dependence of the Fock stereographic projection on energy. This is due to the fact that the wavefunctions of the states with different energies are proportional to the hyperspherical harmonics (HSH) corresponding to different points on the hypersphere. Thus, the calculation of the matrix elements reduces to the problem of re-expanding HSH in terms of HSH depending on different points on the hypersphere. We solve this problem by applying the technique of multipole expansions for four-dimensional HSH. As a result, we obtain the multipole expansions whose coefficients are the matrix elements of the boost operator taken between hydrogen wavefunctions (i.e., hydrogen form factors). The explicit expressions for those coefficients are derived. It is shown that the hydrogen matrix elements can be presented as derivatives of an elementary function. Such an operator representation is convenient for the derivation of recurrence relations connecting matrix elements between states corresponding to different values of the quantum numbers n and l.

Optical response of hybrid semiconductor quantum dot-metal nanoparticle system: Beyond the dipole approximation

NASA Astrophysics Data System (ADS)

Mohammadzadeh, Atefeh; Miri, MirFaez

2018-01-01

We study the response of a semiconductor quantum dot-metal nanoparticle system to an external field E 0 cos ( ω t ) . The borders between Fano, double peaks, weak transition, strong transition, and bistability regions of the phase diagram move considerably as one regards the multipole effects. The exciton-induced transparency is an artifact of the dipole approximation. The absorption of the nanoparticle, the population inversion of the quantum dot, the upper and lower limits of intensity where bistability occurs, the characteristic time to reach the steady state, and other features of the hybrid system change due to the multipole effects. The phase diagrams corresponding to the fields parallel and perpendicular to the axis of system are quite distinguishable. Thus, both the intensity and the polarization of the incident field can be used to control the system. In particular, the incident polarization can be used to switch on and switch off the bistable behavior. For applications such as miniaturized bistable devices and nanosensors sensitive to variations of the dielectric constant of the surrounding medium, multipole effects must be considered.

Classification of "multipole" superconductivity in multiorbital systems and its implications

NASA Astrophysics Data System (ADS)

Nomoto, T.; Hattori, K.; Ikeda, H.

2016-11-01

Motivated by a growing interest in multiorbital superconductors with spin-orbit interactions, we perform the group-theoretical classification of various unconventional superconductivity emerging in symmorphic O , D4, and D6 space groups. The generalized Cooper pairs, which we here call "multipole" superconductivity, possess spin-orbital coupled (multipole) degrees of freedom, instead of the conventional spin singlet/triplet in single-orbital systems. From the classification, we obtain the following key consequences, which have never been focused in the long history of research in this field: (1) A superconducting gap function with Γ9⊗Γ9 in D6 possesses nontrivial momentum dependence different from the usual spin-1/2 classification. (2) Unconventional gap structure can be realized in the BCS approximation of purely local (onsite) interactions irrespective of attraction/repulsion. It implies the emergence of an electron-phonon (e-ph) driven unconventional superconductivity. (3) Reflecting symmetry of orbital basis functions there appear not symmetry protected but inevitable line nodes/gap minima, and thus, anisotropic s -wave superconductivity can be naturally explained even in the absence of competing fluctuations.

Nuclear longitudinal form factors for axially deformed charge distributions expanded by nonorthogonal basis functions

NASA Astrophysics Data System (ADS)

Liu, Jian; Zhang, Jinjuan; Xu, Chang; Ren, Zhongzhou

2017-05-01

In this paper, the nuclear longitudinal form factors are systematically studied from the intrinsic charge multipoles. For axially deformed nuclei, two different types of density profiles are used to describe their charge distributions. For the same charge distributions expanded with different basis functions, the corresponding longitudinal form factors are derived and compared with each other. Results show the multipoles Cλ of longitudinal form factors are independent of the basis functions of charge distributions. Further numerical calculations of longitudinal form factors of 12C indicates that the C 0 multipole reflects the contributions of spherical components of all nonorthogonal basis functions. For deformed nuclei, their charge RMS radii can also be determined accurately by the C 0 measurement. The studies in this paper examine the model-independent properties of electron scattering, which are useful for interpreting electron scattering experiments on exotic deformed nuclei. Supported by National Natural Science Foundation of China (11505292, 11175085, 11575082, 11235001, 11275138, and 11447226), by Shandong Provincial Natural Science Foundation, China (BS2014SF007), Fundamental Research Funds for Central Universities (15CX02072A).

Impedance loading and radiation of finite aperture multipole sources in fluid filled boreholes

NASA Astrophysics Data System (ADS)

Geerits, Tim W.; Kranz, Burkhard

2017-04-01

In the exploration of oil and gas finite aperture multipole borehole acoustic sources are commonly used to excite borehole modes in a fluid-filled borehole surrounded by a (poro-) elastic formation. Due to the mutual interaction of the constituent sources and their immediate proximity to the formation it has been unclear how and to what extent these effects influence radiator performance. We present a theory, based on the equivalent surface source formulation for fluid-solid systems that incorporates these 'loading' effects and allows for swift computation of the multipole source dimensionless impedance, the associated radiator motion and the resulting radiated wave field in borehole fluid and formation. Dimensionless impedance results are verified through a comparison with finite element modeling results in the cases of a logging while drilling tool submersed in an unbounded fluid and a logging while drilling tool submersed in a fluid filled borehole surrounded by a fast and a slow formation. In all these cases we consider a monopole, dipole and quadrupole excitation, as these cases are relevant to many borehole acoustic applications. Overall, we obtain a very good agreement.

Isotropic–Nematic Phase Transitions in Gravitational Systems. II. Higher Order Multipoles

NASA Astrophysics Data System (ADS)

Takács, Ádám; Kocsis, Bence

2018-04-01

The gravitational interaction among bodies orbiting in a spherical potential leads to the rapid relaxation of the orbital planes’ distribution, a process called vector resonant relaxation. We examine the statistical equilibrium of this process for a system of bodies with similar semimajor axes and eccentricities. We extend the previous model of Roupas et al. by accounting for the multipole moments beyond the quadrupole, which dominate the interaction for radially overlapping orbits. Nevertheless, we find no qualitative differences between the behavior of the system with respect to the model restricted to the quadrupole interaction. The equilibrium distribution resembles a counterrotating disk at low temperature and a spherical structure at high temperature. The system exhibits a first-order phase transition between the disk and the spherical phase in the canonical ensemble if the total angular momentum is below a critical value. We find that the phase transition erases the high-order multipoles, i.e., small-scale structure in angular momentum space, most efficiently. The system admits a maximum entropy and a maximum energy, which lead to the existence of negative temperature equilibria.

HyDEn: A Hybrid Steganocryptographic Approach for Data Encryption Using Randomized Error-Correcting DNA Codes

PubMed Central

Regoui, Chaouki; Durand, Guillaume; Belliveau, Luc; Léger, Serge

2013-01-01

This paper presents a novel hybrid DNA encryption (HyDEn) approach that uses randomized assignments of unique error-correcting DNA Hamming code words for single characters in the extended ASCII set. HyDEn relies on custom-built quaternary codes and a private key used in the randomized assignment of code words and the cyclic permutations applied on the encoded message. Along with its ability to detect and correct errors, HyDEn equals or outperforms existing cryptographic methods and represents a promising in silico DNA steganographic approach. PMID:23984392

Random Error in Judgment: The Contribution of Encoding and Retrieval Processes

ERIC Educational Resources Information Center

Pleskac, Timothy J.; Dougherty, Michael R.; Rivadeneira, A. Walkyria; Wallsten, Thomas S.

2009-01-01

Theories of confidence judgments have embraced the role random error plays in influencing responses. An important next step is to identify the source(s) of these random effects. To do so, we used the stochastic judgment model (SJM) to distinguish the contribution of encoding and retrieval processes. In particular, we investigated whether dividing…

The random coding bound is tight for the average code.

NASA Technical Reports Server (NTRS)

Gallager, R. G.

1973-01-01

The random coding bound of information theory provides a well-known upper bound to the probability of decoding error for the best code of a given rate and block length. The bound is constructed by upperbounding the average error probability over an ensemble of codes. The bound is known to give the correct exponential dependence of error probability on block length for transmission rates above the critical rate, but it gives an incorrect exponential dependence at rates below a second lower critical rate. Here we derive an asymptotic expression for the average error probability over the ensemble of codes used in the random coding bound. The result shows that the weakness of the random coding bound at rates below the second critical rate is due not to upperbounding the ensemble average, but rather to the fact that the best codes are much better than the average at low rates.

Application of ion thruster technology to a 30-cm multipole sputtering ion source

NASA Technical Reports Server (NTRS)

Robinson, R. S.; Kaufman, H. R.

1976-01-01

A 30-cm electron-bombardment ion source has been designed and fabricated for micromachining and sputtering applications. This source has a multipole magnetic field that employs permanent magnets between permeable pole pieces. An average ion current density of 1 ma/sq cm with 500-eV argon ions was selected as a design operating condition. The ion beam at this operating condition was uniform and well collimated, with an average variation of + or -5 percent over the center 20 cm of the beam at a distance up to 30 cm from the ion source.

Ion flow experiments in a multipole discharge chamber

NASA Technical Reports Server (NTRS)

Kaufman, H. R.; Robinson, R. S.; Frisa, L. E.

1982-01-01

It has been customary to assume that ions flow nearly equally in all directions from the ion production region within an electron-bombardment discharge chamber. Ion flow measurements in a multipole discharge chamber have shown that this assumption is not true. In general, the electron current through a magnetic field can alter the electron density, and hence the ion density, in such a way that ions tend to be directed away from the region bounded by the magnetic field. When this mechanism is understood, it becomes evident that many past discharge chamber designs have operated with a preferentially directed flow of ions.

FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

NASA Astrophysics Data System (ADS)

Huang, Jingfang; Jia, Jun; Zhang, Bo

2009-11-01

A Fortran program package is introduced for the rapid evaluation of the screened Coulomb interactions of N particles in three dimensions. The method utilizes an adaptive oct-tree structure, and is based on the new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related packages are also available at http://www.fastmultipole.org/. This paper is a brief review of the program and its performance. Catalogue identifier: AEEQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 12 385 No. of bytes in distributed program, including test data, etc.: 79 222 Distribution format: tar.gz Programming language: Fortran77 and Fortran90 Computer: Any Operating system: Any RAM: Depends on the number of particles, their distribution, and the adaptive tree structure Classification: 4.8, 4.12 Nature of problem: To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation. Solution method: An adaptive oct-tree is generated, and a new version of fast multipole method is applied in which the "multipole-to-local" translation operator is diagonalized. Restrictions: Only three and six significant digits accuracy options are provided in this version. Unusual features: Most of the codes are written in Fortran77. Functions for memory allocation from Fortran90 and above are used in one subroutine. Additional comments: For supplementary information see http://www.fastmultipole.org/ Running time: The running time varies depending on the number of particles (denoted by N) in the system and their distribution. The running time scales linearly as a function of N for nearly uniform particle distributions. For three digits accuracy, the solver breaks even with direct summation method at about N = 750. References: [1] L. Greengard, J. Huang, A new version of the fast multipole method for screened Coulomb interactions in three dimensions, J. Comput. Phys. 180 (2002) 642-658.

Electromagnetic multipole moments of elementary spin-1/2, 1, and 3/2 particles

NASA Astrophysics Data System (ADS)

Delgado-Acosta, E. G.; Kirchbach, M.; Napsuciale, M.; Rodríguez, S.

2012-06-01

We study multipole decompositions of the electromagnetic currents of spin-1/2, 1, and 3/2 particles described in terms of representation-specific wave equations which are second order in the momenta and which emerge within the recently elaborated Poincaré covariant-projector method, where the respective Lagrangians explicitly depend on the Lorentz group generators of the representations of interest. The currents are then the ordinary linear Noether currents related to phase invariance, and present themselves always as two-terms motion-plus spin-magnetization currents. The spin-magnetization currents appear weighted by the gyromagnetic ratio g, a free parameter in the method which we fix either by unitarity of forward Compton scattering amplitudes in the ultraviolet for spin-1 and spin-3/2, or in the spin-1/2 case, by their asymptotic vanishing, thus ending up in all three cases with the universal g value of g=2. Within the method under discussion, we calculate the electric multipoles of the above spins for the spinor, the four-vector, and the four-vector-spinor representations, and find it favorable in some aspects, specifically in comparison with the conventional Proca and Rarita-Schwinger frameworks. We furthermore attend to the most general non-Lagrangian spin-3/2 currents, which are allowed by Lorentz invariance to be up to third order in the momenta and construct the linear-current equivalent of identical multipole moments of one of them. We conclude that nonlinear non-Lagrangian spin-3/2 currents are not necessarily more general and more advantageous than the linear spin-3/2 Lagrangian current emerging within the covariant-projector formalism. Finally, we test the representation dependence of the multipoles by placing spin-1 and spin-3/2 in the respective (1,0)⊕(0,1) and (3/2,0)⊕(0,3/2) single-spin representations. We observe representation independence of the charge monopoles and the magnetic dipoles, in contrast to the higher multipoles, which turn out to be representation-dependent. In particular, we find the bi-vector (1,0)⊕(0,1) to be characterized by an electric quadrupole moment of opposite sign to the one found in (1/2,1/2), and consequently to the W boson. This observation allows us to explain the positive electric quadrupole moment of the ρ meson extracted from recent analyses of the ρ meson electric form factor. Our finding points toward the possibility that the ρ-meson could transform as part of an antisymmetric tensor with an a1 mesonlike state as its representation companion, a possibility consistent with the empirically established ρ and a1 vector meson dominance of the hadronic vector and axial-vector currents.

Calculating radiotherapy margins based on Bayesian modelling of patient specific random errors

NASA Astrophysics Data System (ADS)

Herschtal, A.; te Marvelde, L.; Mengersen, K.; Hosseinifard, Z.; Foroudi, F.; Devereux, T.; Pham, D.; Ball, D.; Greer, P. B.; Pichler, P.; Eade, T.; Kneebone, A.; Bell, L.; Caine, H.; Hindson, B.; Kron, T.

2015-02-01

Collected real-life clinical target volume (CTV) displacement data show that some patients undergoing external beam radiotherapy (EBRT) demonstrate significantly more fraction-to-fraction variability in their displacement (‘random error’) than others. This contrasts with the common assumption made by historical recipes for margin estimation for EBRT, that the random error is constant across patients. In this work we present statistical models of CTV displacements in which random errors are characterised by an inverse gamma (IG) distribution in order to assess the impact of random error variability on CTV-to-PTV margin widths, for eight real world patient cohorts from four institutions, and for different sites of malignancy. We considered a variety of clinical treatment requirements and penumbral widths. The eight cohorts consisted of a total of 874 patients and 27 391 treatment sessions. Compared to a traditional margin recipe that assumes constant random errors across patients, for a typical 4 mm penumbral width, the IG based margin model mandates that in order to satisfy the common clinical requirement that 90% of patients receive at least 95% of prescribed RT dose to the entire CTV, margins be increased by a median of 10% (range over the eight cohorts -19% to +35%). This substantially reduces the proportion of patients for whom margins are too small to satisfy clinical requirements.

Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

NASA Astrophysics Data System (ADS)

Bereau, Tristan; DiStasio, Robert A.; Tkatchenko, Alexandre; von Lilienfeld, O. Anatole

2018-06-01

Classical intermolecular potentials typically require an extensive parametrization procedure for any new compound considered. To do away with prior parametrization, we propose a combination of physics-based potentials with machine learning (ML), coined IPML, which is transferable across small neutral organic and biologically relevant molecules. ML models provide on-the-fly predictions for environment-dependent local atomic properties: electrostatic multipole coefficients (significant error reduction compared to previously reported), the population and decay rate of valence atomic densities, and polarizabilities across conformations and chemical compositions of H, C, N, and O atoms. These parameters enable accurate calculations of intermolecular contributions—electrostatics, charge penetration, repulsion, induction/polarization, and many-body dispersion. Unlike other potentials, this model is transferable in its ability to handle new molecules and conformations without explicit prior parametrization: All local atomic properties are predicted from ML, leaving only eight global parameters—optimized once and for all across compounds. We validate IPML on various gas-phase dimers at and away from equilibrium separation, where we obtain mean absolute errors between 0.4 and 0.7 kcal/mol for several chemically and conformationally diverse datasets representative of non-covalent interactions in biologically relevant molecules. We further focus on hydrogen-bonded complexes—essential but challenging due to their directional nature—where datasets of DNA base pairs and amino acids yield an extremely encouraging 1.4 kcal/mol error. Finally, and as a first look, we consider IPML for denser systems: water clusters, supramolecular host-guest complexes, and the benzene crystal.

Angular ellipticity correlations in a composite alignment model for elliptical and spiral galaxies and inference from weak lensing

NASA Astrophysics Data System (ADS)

Tugendhat, Tim M.; Schäfer, Björn Malte

2018-05-01

We investigate a physical, composite alignment model for both spiral and elliptical galaxies and its impact on cosmological parameter estimation from weak lensing for a tomographic survey. Ellipticity correlation functions and angular ellipticity spectra for spiral and elliptical galaxies are derived on the basis of tidal interactions with the cosmic large-scale structure and compared to the tomographic weak-lensing signal. We find that elliptical galaxies cause a contribution to the weak-lensing dominated ellipticity correlation on intermediate angular scales between ℓ ≃ 40 and ℓ ≃ 400 before that of spiral galaxies dominates on higher multipoles. The predominant term on intermediate scales is the negative cross-correlation between intrinsic alignments and weak gravitational lensing (GI-alignment). We simulate parameter inference from weak gravitational lensing with intrinsic alignments unaccounted; the bias induced by ignoring intrinsic alignments in a survey like Euclid is shown to be several times larger than the statistical error and can lead to faulty conclusions when comparing to other observations. The biases generally point into different directions in parameter space, such that in some cases one can observe a partial cancellation effect. Furthermore, it is shown that the biases increase with the number of tomographic bins used for the parameter estimation process. We quantify this parameter estimation bias in units of the statistical error and compute the loss of Bayesian evidence for a model due to the presence of systematic errors as well as the Kullback-Leibler divergence to quantify the distance between the true model and the wrongly inferred one.

Simulation of wave propagation in three-dimensional random media

NASA Technical Reports Server (NTRS)

Coles, William A.; Filice, J. P.; Frehlich, R. G.; Yadlowsky, M.

1993-01-01

Quantitative error analysis for simulation of wave propagation in three dimensional random media assuming narrow angular scattering are presented for the plane wave and spherical wave geometry. This includes the errors resulting from finite grid size, finite simulation dimensions, and the separation of the two-dimensional screens along the propagation direction. Simple error scalings are determined for power-law spectra of the random refractive index of the media. The effects of a finite inner scale are also considered. The spatial spectra of the intensity errors are calculated and compared to the spatial spectra of intensity. The numerical requirements for a simulation of given accuracy are determined for realizations of the field. The numerical requirements for accurate estimation of higher moments of the field are less stringent.

Regionalized PM2.5 Community Multiscale Air Quality model performance evaluation across a continuous spatiotemporal domain.

PubMed

Reyes, Jeanette M; Xu, Yadong; Vizuete, William; Serre, Marc L

2017-01-01

The regulatory Community Multiscale Air Quality (CMAQ) model is a means to understanding the sources, concentrations and regulatory attainment of air pollutants within a model's domain. Substantial resources are allocated to the evaluation of model performance. The Regionalized Air quality Model Performance (RAMP) method introduced here explores novel ways of visualizing and evaluating CMAQ model performance and errors for daily Particulate Matter ≤ 2.5 micrometers (PM2.5) concentrations across the continental United States. The RAMP method performs a non-homogenous, non-linear, non-homoscedastic model performance evaluation at each CMAQ grid. This work demonstrates that CMAQ model performance, for a well-documented 2001 regulatory episode, is non-homogeneous across space/time. The RAMP correction of systematic errors outperforms other model evaluation methods as demonstrated by a 22.1% reduction in Mean Square Error compared to a constant domain wide correction. The RAMP method is able to accurately reproduce simulated performance with a correlation of r = 76.1%. Most of the error coming from CMAQ is random error with only a minority of error being systematic. Areas of high systematic error are collocated with areas of high random error, implying both error types originate from similar sources. Therefore, addressing underlying causes of systematic error will have the added benefit of also addressing underlying causes of random error.

Light propagation in nanorod arrays

NASA Astrophysics Data System (ADS)

Rahachou, A. I.; Zozoulenko, I. V.

2007-03-01

We study the propagation of TM- and TE-polarized light in two-dimensional arrays of silver nanorods of various diameters in a gelatin background. We calculate the transmittance, reflectance and absorption of arranged and disordered nanorod arrays and compare the exact numerical results with the predictions of the Maxwell-Garnett effective-medium theory. We show that interactions between nanorods, multipole contributions and formations of photonic gaps affect strongly the transmittance spectra that cannot be accounted for in terms of the conventional effective-medium theory. We also demonstrate and explain the degradation of the transmittance in arrays with randomly located rods as well as the weak influence of their fluctuating diameter. For TM modes we outline the importance of the skin effect, which causes the full reflection of the incoming light. We then illustrate the possibility of using periodic arrays of nanorods as high-quality polarizers.

Low-Energy Excitation Spectra in the Excitonic Phase of Cobalt Oxides

NASA Astrophysics Data System (ADS)

Yamaguchi, Tomoki; Sugimoto, Koudai; Ohta, Yukinori

2017-04-01

We study the excitonic phase and low-energy excitation spectra of perovskite cobalt oxides. Constructing the five-orbital Hubbard model defined on the three-dimensional cubic lattice for the 3d bands of Pr0.5Ca0.5CoO3, we calculate the excitonic susceptibility in the normal state in the random-phase approximation (RPA) to show the presence of the instability toward excitonic condensation. On the basis of the excitonic ground state with a magnetic multipole obtained in the mean-field approximation, we calculate the dynamical susceptibility of the excitonic phase in the RPA and find that there appear a gapless collective excitation in the spin-transverse mode (Goldstone mode) and a gapful collective excitation in the spin-longitudinal mode (Higgs mode). The experimental relevance of our results is discussed.

Error Distribution Evaluation of the Third Vanishing Point Based on Random Statistical Simulation

NASA Astrophysics Data System (ADS)

Li, C.

2012-07-01

POS, integrated by GPS / INS (Inertial Navigation Systems), has allowed rapid and accurate determination of position and attitude of remote sensing equipment for MMS (Mobile Mapping Systems). However, not only does INS have system error, but also it is very expensive. Therefore, in this paper error distributions of vanishing points are studied and tested in order to substitute INS for MMS in some special land-based scene, such as ground façade where usually only two vanishing points can be detected. Thus, the traditional calibration approach based on three orthogonal vanishing points is being challenged. In this article, firstly, the line clusters, which parallel to each others in object space and correspond to the vanishing points, are detected based on RANSAC (Random Sample Consensus) and parallelism geometric constraint. Secondly, condition adjustment with parameters is utilized to estimate nonlinear error equations of two vanishing points (VX, VY). How to set initial weights for the adjustment solution of single image vanishing points is presented. Solving vanishing points and estimating their error distributions base on iteration method with variable weights, co-factor matrix and error ellipse theory. Thirdly, under the condition of known error ellipses of two vanishing points (VX, VY) and on the basis of the triangle geometric relationship of three vanishing points, the error distribution of the third vanishing point (VZ) is calculated and evaluated by random statistical simulation with ignoring camera distortion. Moreover, Monte Carlo methods utilized for random statistical estimation are presented. Finally, experimental results of vanishing points coordinate and their error distributions are shown and analyzed.

Accuracy of Robotic Radiosurgical Liver Treatment Throughout the Respiratory Cycle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winter, Jeff D.; Wong, Raimond; Swaminath, Anand

Purpose: To quantify random uncertainties in robotic radiosurgical treatment of liver lesions with real-time respiratory motion management. Methods and Materials: We conducted a retrospective analysis of 27 liver cancer patients treated with robotic radiosurgery over 118 fractions. The robotic radiosurgical system uses orthogonal x-ray images to determine internal target position and correlates this position with an external surrogate to provide robotic corrections of linear accelerator positioning. Verification and update of this internal–external correlation model was achieved using periodic x-ray images collected throughout treatment. To quantify random uncertainties in targeting, we analyzed logged tracking information and isolated x-ray images collected immediately beforemore » beam delivery. For translational correlation errors, we quantified the difference between correlation model–estimated target position and actual position determined by periodic x-ray imaging. To quantify prediction errors, we computed the mean absolute difference between the predicted coordinates and actual modeled position calculated 115 milliseconds later. We estimated overall random uncertainty by quadratically summing correlation, prediction, and end-to-end targeting errors. We also investigated relationships between tracking errors and motion amplitude using linear regression. Results: The 95th percentile absolute correlation errors in each direction were 2.1 mm left–right, 1.8 mm anterior–posterior, 3.3 mm cranio–caudal, and 3.9 mm 3-dimensional radial, whereas 95th percentile absolute radial prediction errors were 0.5 mm. Overall 95th percentile random uncertainty was 4 mm in the radial direction. Prediction errors were strongly correlated with modeled target amplitude (r=0.53-0.66, P<.001), whereas only weak correlations existed for correlation errors. Conclusions: Study results demonstrate that model correlation errors are the primary random source of uncertainty in Cyberknife liver treatment and, unlike prediction errors, are not strongly correlated with target motion amplitude. Aggregate 3-dimensional radial position errors presented here suggest the target will be within 4 mm of the target volume for 95% of the beam delivery.« less

Gossip and Distributed Kalman Filtering: Weak Consensus Under Weak Detectability

NASA Astrophysics Data System (ADS)

Kar, Soummya; Moura, José M. F.

2011-04-01

The paper presents the gossip interactive Kalman filter (GIKF) for distributed Kalman filtering for networked systems and sensor networks, where inter-sensor communication and observations occur at the same time-scale. The communication among sensors is random; each sensor occasionally exchanges its filtering state information with a neighbor depending on the availability of the appropriate network link. We show that under a weak distributed detectability condition: 1. the GIKF error process remains stochastically bounded, irrespective of the instability properties of the random process dynamics; and 2. the network achieves \\emph{weak consensus}, i.e., the conditional estimation error covariance at a (uniformly) randomly selected sensor converges in distribution to a unique invariant measure on the space of positive semi-definite matrices (independent of the initial state.) To prove these results, we interpret the filtered states (estimates and error covariances) at each node in the GIKF as stochastic particles with local interactions. We analyze the asymptotic properties of the error process by studying as a random dynamical system the associated switched (random) Riccati equation, the switching being dictated by a non-stationary Markov chain on the network graph.

The skewed weak lensing likelihood: why biases arise, despite data and theory being sound

NASA Astrophysics Data System (ADS)

Sellentin, Elena; Heymans, Catherine; Harnois-Déraps, Joachim

2018-07-01

We derive the essentials of the skewed weak lensing likelihood via a simple hierarchical forward model. Our likelihood passes four objective and cosmology-independent tests which a standard Gaussian likelihood fails. We demonstrate that sound weak lensing data are naturally biased low, since they are drawn from a skewed distribution. This occurs already in the framework of Lambda cold dark matter. Mathematically, the biases arise because noisy two-point functions follow skewed distributions. This form of bias is already known from cosmic microwave background analyses, where the low multipoles have asymmetric error bars. Weak lensing is more strongly affected by this asymmetry as galaxies form a discrete set of shear tracer particles, in contrast to a smooth shear field. We demonstrate that the biases can be up to 30 per cent of the standard deviation per data point, dependent on the properties of the weak lensing survey and the employed filter function. Our likelihood provides a versatile framework with which to address this bias in future weak lensing analyses.

The skewed weak lensing likelihood: why biases arise, despite data and theory being sound.

NASA Astrophysics Data System (ADS)

Sellentin, Elena; Heymans, Catherine; Harnois-Déraps, Joachim

2018-04-01

We derive the essentials of the skewed weak lensing likelihood via a simple Hierarchical Forward Model. Our likelihood passes four objective and cosmology-independent tests which a standard Gaussian likelihood fails. We demonstrate that sound weak lensing data are naturally biased low, since they are drawn from a skewed distribution. This occurs already in the framework of ΛCDM. Mathematically, the biases arise because noisy two-point functions follow skewed distributions. This form of bias is already known from CMB analyses, where the low multipoles have asymmetric error bars. Weak lensing is more strongly affected by this asymmetry as galaxies form a discrete set of shear tracer particles, in contrast to a smooth shear field. We demonstrate that the biases can be up to 30% of the standard deviation per data point, dependent on the properties of the weak lensing survey and the employed filter function. Our likelihood provides a versatile framework with which to address this bias in future weak lensing analyses.

Variations of solar, interplanetary, and geomagnetic parameters with solar magnetic multipole fields during Solar Cycles 21-24

NASA Astrophysics Data System (ADS)

Kim, Bogyeong; Lee, Jeongwoo; Yi, Yu; Oh, Suyeon

2015-01-01

In this study we compare the temporal variations of the solar, interplanetary, and geomagnetic (SIG) parameters with that of open solar magnetic flux from 1976 to 2012 (from Solar Cycle 21 to the early phase of Cycle 24) for a purpose of identifying their possible relationships. By the open flux, we mean the average magnetic field over the source surface (2.5 solar radii) times the source area as defined by the potential field source surface (PFSS) model of the Wilcox Solar Observatory (WSO). In our result, most SIG parameters except the solar wind dynamic pressure show rather poor correlations with the open solar magnetic field. Good correlations are recovered when the contributions from individual multipole components are counted separately. As expected, solar activity indices such as sunspot number, total solar irradiance, 10.7 cm radio flux, and solar flare occurrence are highly correlated with the flux of magnetic quadrupole component. The dynamic pressure of solar wind is strongly correlated with the dipole flux, which is in anti-phase with Solar Cycle (SC). The geomagnetic activity represented by the Ap index is correlated with higher order multipole components, which show relatively a slow time variation with SC. We also found that the unusually low geomagnetic activity during SC 23 is accompanied by the weak open solar fields compared with those in other SCs. It is argued that such dependences of the SIG parameters on the individual multipole components of the open solar magnetic flux may clarify why some SIG parameters vary in phase with SC and others show seemingly delayed responses to SC variation.

Evolution of the Carter constant for inspirals into a black hole: Effect of the black hole quadrupole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flanagan, Eanna E.; Laboratory for Elementary Particle Physics, Cornell University, Ithaca, New York 14853; Hinderer, Tanja

2007-06-15

We analyze the effect of gravitational radiation reaction on generic orbits around a body with an axisymmetric mass quadrupole moment Q to linear order in Q, to the leading post-Newtonian order, and to linear order in the mass ratio. This system admits three constants of the motion in absence of radiation reaction: energy, angular momentum along the symmetry axis, and a third constant analogous to the Carter constant. We compute instantaneous and time-averaged rates of change of these three constants. For a point particle orbiting a black hole, Ryan has computed the leading order evolution of the orbit's Carter constant,more » which is linear in the spin. Our result, when combined with an interaction quadratic in the spin (the coupling of the black hole's spin to its own radiation reaction field), gives the next to leading order evolution. The effect of the quadrupole, like that of the linear spin term, is to circularize eccentric orbits and to drive the orbital plane towards antialignment with the symmetry axis. In addition we consider a system of two point masses where one body has a single mass multipole or current multipole of order l. To linear order in the mass ratio, to linear order in the multipole, and to the leading post-Newtonian order, we show that there does not exist an analog of the Carter constant for such a system (except for the cases of an l=1 current moment and an l=2 mass moment). Thus, the existence of the Carter constant in Kerr depends on interaction effects between the different multipoles. With mild additional assumptions, this result falsifies the conjecture that all vacuum, axisymmetric spacetimes possess a third constant of the motion for geodesic motion.« less

What errors do peer reviewers detect, and does training improve their ability to detect them?

PubMed

Schroter, Sara; Black, Nick; Evans, Stephen; Godlee, Fiona; Osorio, Lyda; Smith, Richard

2008-10-01

To analyse data from a trial and report the frequencies with which major and minor errors are detected at a general medical journal, the types of errors missed and the impact of training on error detection. 607 peer reviewers at the BMJ were randomized to two intervention groups receiving different types of training (face-to-face training or a self-taught package) and a control group. Each reviewer was sent the same three test papers over the study period, each of which had nine major and five minor methodological errors inserted. BMJ peer reviewers. The quality of review, assessed using a validated instrument, and the number and type of errors detected before and after training. The number of major errors detected varied over the three papers. The interventions had small effects. At baseline (Paper 1) reviewers found an average of 2.58 of the nine major errors, with no notable difference between the groups. The mean number of errors reported was similar for the second and third papers, 2.71 and 3.0, respectively. Biased randomization was the error detected most frequently in all three papers, with over 60% of reviewers rejecting the papers identifying this error. Reviewers who did not reject the papers found fewer errors and the proportion finding biased randomization was less than 40% for each paper. Editors should not assume that reviewers will detect most major errors, particularly those concerned with the context of study. Short training packages have only a slight impact on improving error detection.

An analytic technique for statistically modeling random atomic clock errors in estimation

NASA Technical Reports Server (NTRS)

Fell, P. J.

1981-01-01

Minimum variance estimation requires that the statistics of random observation errors be modeled properly. If measurements are derived through the use of atomic frequency standards, then one source of error affecting the observable is random fluctuation in frequency. This is the case, for example, with range and integrated Doppler measurements from satellites of the Global Positioning and baseline determination for geodynamic applications. An analytic method is presented which approximates the statistics of this random process. The procedure starts with a model of the Allan variance for a particular oscillator and develops the statistics of range and integrated Doppler measurements. A series of five first order Markov processes is used to approximate the power spectral density obtained from the Allan variance.

A study of digital holographic filters generation. Phase 2: Digital data communication system, volume 1

NASA Technical Reports Server (NTRS)

Ingels, F. M.; Mo, C. D.

1978-01-01

An empirical study of the performance of the Viterbi decoders in bursty channels was carried out and an improved algebraic decoder for nonsystematic codes was developed. The hybrid algorithm was simulated for the (2,1), k = 7 code on a computer using 20 channels having various error statistics, ranging from pure random error to pure bursty channels. The hybrid system outperformed both the algebraic and the Viterbi decoders in every case, except the 1% random error channel where the Viterbi decoder had one bit less decoding error.

Error threshold for color codes and random three-body Ising models.

PubMed

Katzgraber, Helmut G; Bombin, H; Martin-Delgado, M A

2009-08-28

We study the error threshold of color codes, a class of topological quantum codes that allow a direct implementation of quantum Clifford gates suitable for entanglement distillation, teleportation, and fault-tolerant quantum computation. We map the error-correction process onto a statistical mechanical random three-body Ising model and study its phase diagram via Monte Carlo simulations. The obtained error threshold of p(c) = 0.109(2) is very close to that of Kitaev's toric code, showing that enhanced computational capabilities do not necessarily imply lower resistance to noise.

Effect of random errors in planar PIV data on pressure estimation in vortex dominated flows

NASA Astrophysics Data System (ADS)

McClure, Jeffrey; Yarusevych, Serhiy

2015-11-01

The sensitivity of pressure estimation techniques from Particle Image Velocimetry (PIV) measurements to random errors in measured velocity data is investigated using the flow over a circular cylinder as a test case. Direct numerical simulations are performed for ReD = 100, 300 and 1575, spanning laminar, transitional, and turbulent wake regimes, respectively. A range of random errors typical for PIV measurements is applied to synthetic PIV data extracted from numerical results. A parametric study is then performed using a number of common pressure estimation techniques. Optimal temporal and spatial resolutions are derived based on the sensitivity of the estimated pressure fields to the simulated random error in velocity measurements, and the results are compared to an optimization model derived from error propagation theory. It is shown that the reductions in spatial and temporal scales at higher Reynolds numbers leads to notable changes in the optimal pressure evaluation parameters. The effect of smaller scale wake structures is also quantified. The errors in the estimated pressure fields are shown to depend significantly on the pressure estimation technique employed. The results are used to provide recommendations for the use of pressure and force estimation techniques from experimental PIV measurements in vortex dominated laminar and turbulent wake flows.

Random Measurement Error as a Source of Discrepancies between the Reports of Wives and Husbands Concerning Marital Power and Task Allocation.

ERIC Educational Resources Information Center

Quarm, Daisy

1981-01-01

Findings for couples (N=119) show wife's work, money, and spare time low between-spouse correlations are due in part to random measurement error. Suggests that increasing reliability of measures by creating multi-item indices can also increase correlations. Car purchase, vacation, and child discipline were not accounted for by random measurement…

Achieving a strongly negative scattering asymmetry factor in random media composed of dual-dipolar particles

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-02-01

Understanding radiative transfer in random media like micro- or nanoporous and particulate materials, allows people to manipulate the scattering and absorption of radiation, as well as opens new possibilities in applications such as imaging through turbid media, photovoltaics, and radiative cooling. A strong-backscattering phase function, i.e., a negative scattering asymmetry parameter g , is of great interest, which can possibly lead to unusual radiative transport phenomena, for instance, Anderson localization of light. Here we demonstrate that by utilizing the structural correlations and second Kerker condition for a disordered medium composed of randomly distributed silicon nanoparticles, a strongly negative scattering asymmetry factor (g ˜-0.5 ) for multiple light scattering can be realized in the near infrared. Based on the multipole expansion of Foldy-Lax equations and quasicrystalline approximation (QCA), we have rigorously derived analytical expressions for the effective propagation constant and scattering phase function for a random system containing spherical particles, by taking the effect of structural correlations into account. We show that as the concentration of scattering particles rises, the backscattering is also enhanced. Moreover, in this circumstance, the transport mean free path is largely reduced and even becomes smaller than that predicted by independent scattering approximation. We further explore the dependent scattering effects, including the modification of electric and magnetic dipole excitations and far-field interference effect, both induced and influenced by the structural correlations, for volume fraction of particles up to fv˜0.25 . Our results have profound implications in harnessing micro- or nanoscale radiative transfer through random media.

Modeling Errors in Daily Precipitation Measurements: Additive or Multiplicative?

NASA Technical Reports Server (NTRS)

Tian, Yudong; Huffman, George J.; Adler, Robert F.; Tang, Ling; Sapiano, Matthew; Maggioni, Viviana; Wu, Huan

2013-01-01

The definition and quantification of uncertainty depend on the error model used. For uncertainties in precipitation measurements, two types of error models have been widely adopted: the additive error model and the multiplicative error model. This leads to incompatible specifications of uncertainties and impedes intercomparison and application.In this letter, we assess the suitability of both models for satellite-based daily precipitation measurements in an effort to clarify the uncertainty representation. Three criteria were employed to evaluate the applicability of either model: (1) better separation of the systematic and random errors; (2) applicability to the large range of variability in daily precipitation; and (3) better predictive skills. It is found that the multiplicative error model is a much better choice under all three criteria. It extracted the systematic errors more cleanly, was more consistent with the large variability of precipitation measurements, and produced superior predictions of the error characteristics. The additive error model had several weaknesses, such as non constant variance resulting from systematic errors leaking into random errors, and the lack of prediction capability. Therefore, the multiplicative error model is a better choice.

Long-range, collision-induced hyperpolarizabilities of atoms or centrosymmetric linear molecules: Theory and numerical results for pairs containing H or He

NASA Astrophysics Data System (ADS)

Li, Xiaoping; Hunt, Katharine L. C.; Pipin, Janusz; Bishop, David M.

1996-12-01

For atoms or molecules of D∞h or higher symmetry, this work gives equations for the long-range, collision-induced changes in the first (Δβ) and second (Δγ) hyperpolarizabilities, complete to order R-7 in the intermolecular separation R for Δβ, and order R-6 for Δγ. The results include nonlinear dipole-induced-dipole (DID) interactions, higher multipole induction, induction due to the nonuniformity of the local fields, back induction, and dispersion. For pairs containing H or He, we have used ab initio values of the static (hyper)polarizabilities to obtain numerical results for the induction terms in Δβ and Δγ. For dispersion effects, we have derived analytic results in the form of integrals of the dynamic (hyper)polarizabilities over imaginary frequencies, and we have evaluated these numerically for the pairs H...H, H...He, and He...He using the values of the fourth dipole hyperpolarizability ɛ(-iω; iω, 0, 0, 0, 0) obtained in this work, along with other hyperpolarizabilities calculated previously by Bishop and Pipin. For later numerical applications to molecular pairs, we have developed constant ratio approximations (CRA1 and CRA2) to estimate the dispersion effects in terms of static (hyper)polarizabilities and van der Waals energy or polarizability coefficients. Tests of the approximations against accurate results for the pairs H...H, H...He, and He...He show that the root mean square (rms) error in CRA1 is ˜20%-25% for Δβ and Δγ; for CRA2 the error in Δβ is similar, but the rms error in Δγ is less than 4%. At separations ˜1.0 a.u. outside the van der Waals minima of the pair potentials for H...H, H...He, and He...He, the nonlinear DID interactions make the dominant contributions to Δγzzzz (where z is the interatomic axis) and to Δγxxxx, accounting for ˜80%-123% of the total value. Contributions due to higher-multipole induction and the nonuniformity of the local field (Qα terms) may exceed 15%, while dispersion effects contribute ˜4%-9% of the total Δγzzzz and Δγxxxx. For Δγxxzz, the α term is roughly equal to the nonlinear DID term in absolute value, but opposite in sign. Other terms in Δγxxzz are smaller, but they are important in determining its net value because of the near cancellation of the two dominant terms. When Δγ is averaged isotropically over the orientations of the interatomic vector to give Δγ¯, dispersion effects dominate, contributing 76% of the total Δγ¯ (through order R-6) for H...H, 81% for H...He, and 73% for He...He.

One-step random mutagenesis by error-prone rolling circle amplification

PubMed Central

Fujii, Ryota; Kitaoka, Motomitsu; Hayashi, Kiyoshi

2004-01-01

In vitro random mutagenesis is a powerful tool for altering properties of enzymes. We describe here a novel random mutagenesis method using rolling circle amplification, named error-prone RCA. This method consists of only one DNA amplification step followed by transformation of the host strain, without treatment with any restriction enzymes or DNA ligases, and results in a randomly mutated plasmid library with 3–4 mutations per kilobase. Specific primers or special equipment, such as a thermal-cycler, are not required. This method permits rapid preparation of randomly mutated plasmid libraries, enabling random mutagenesis to become a more commonly used technique. PMID:15507684

[Comparison study on sampling methods of Oncomelania hupensis snail survey in marshland schistosomiasis epidemic areas in China].

PubMed

An, Zhao; Wen-Xin, Zhang; Zhong, Yao; Yu-Kuan, Ma; Qing, Liu; Hou-Lang, Duan; Yi-di, Shang

2016-06-29

To optimize and simplify the survey method of Oncomelania hupensis snail in marshland endemic region of schistosomiasis and increase the precision, efficiency and economy of the snail survey. A quadrate experimental field was selected as the subject of 50 m×50 m size in Chayegang marshland near Henghu farm in the Poyang Lake region and a whole-covered method was adopted to survey the snails. The simple random sampling, systematic sampling and stratified random sampling methods were applied to calculate the minimum sample size, relative sampling error and absolute sampling error. The minimum sample sizes of the simple random sampling, systematic sampling and stratified random sampling methods were 300, 300 and 225, respectively. The relative sampling errors of three methods were all less than 15%. The absolute sampling errors were 0.221 7, 0.302 4 and 0.047 8, respectively. The spatial stratified sampling with altitude as the stratum variable is an efficient approach of lower cost and higher precision for the snail survey.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia, T. Y.; Zhang, Y.

We present an analytical calculation of the spectra of CMB anisotropies and polarizations generated by relic gravitational waves (RGWs). As a substantial extension to the previous studies, three new ingredients are included in this work. First, the analytic C{sub l}{sup TT} and C{sub l}{sup TE} are given; especially the latter can be useful to extract signal of RGWs from the observed data in the zero-multipole method. Second, a fitting formula of the decaying factor on small scales is given, coming from the visibility function around the photon decoupling. Third, the impacts by the neutrino free-streaming (NFS) is examined, a processmore » that occurred in the early universe and leaves observable imprints on CMB via RGWs. It is found that the analytic C{sub l}{sup TT} and C{sub l}{sup TE} have profiles agreeing with the numeric ones, except that C{sub l}{sup TT} in a range l{<=}10 and the first trough of C{sub l}{sup TE} around l{approx}75 have some deviations. With the new damping factor, the analytic C{sub l}{sup EE} and C{sub l}{sup BB} match with the numeric ones with the maximum errors only {approx}3% up to the first three peaks for l{<=}600, improving the previous studies substantially. The correspondence of the positions of peaks of C{sub l}{sup XX} and those of RGWs are also demonstrated explicitly. We also find that NFS reduces the amplitudes of C{sub l}{sup XX} by (20%{approx}35%) for l{approx_equal}(100{approx}600) and shifts slightly their peaks to smaller angles. Detailed analyses show that the zero multipoles l{sub 0}, where C{sub l}{sup TE} crosses 0, are shifted to larger values by NFS. This shifting effect is as important as those caused by different inflation models and different baryon fractions.« less

Final Results from the BIMA CMB Anisotropy Survey and Search for Signature of the SZ Effect

NASA Technical Reports Server (NTRS)

Dawson, K. S.; Holzapfel, W. L.; Carlstrom, J. E.; Joy, M.; LaRoque, S. J.

2006-01-01

We report the final results of our study of the cosmic microwave background (CMB) with the BIMA array. Over 1000 hours of observation were dedicated to this project exploring CMB anisotropy on scales between 1' and 2' in eighteen 6'.6 FWHM fields. In the analysis of the CMB power spectrum, the visibility data is divided into two bins corresponding to different angular scales. Modeling the observed excess power as a flat band of average multipole l(sub eff)= 5237, we find deltaT(sup 2)(sub 1) = 220(sup +140)(sub -120) mu K(sup 2) at 68% confidence and deltaT(sup 2)(sub 1) greater than 0 muK(sup 2) with 94.7% confidence. In a second band with average multipole of l(sub eff) = 8748, we find deltaT(sup 2)(sub 2) consistent with zero, and an upper limit 880 muK(sup 2) at 95% confidence. An extensive series of tests and supplemental observations with the VLA provide strong evidence against systematic errors or radio point sources being the source of the observed excess power. The dominant source of anisotropy on these scales is expected to arise from the Sunyaev-Zel'dovich (SZ) effect in a population of distant galaxy clusters. If the excess power is due to the SZ effect, we can place constraints on the normalization of the matter power spectrum sigma(sub 8) = 1.03(sup +0.20)(sub -0.29) at 68% confidence. The distribution of pixel fluxes in the BIMA images are found to be consistent with simulated observations of the expected SZ background and rule out instrumental noise or radio sources as the source of the observed excess power with similar confidence to the detection of excess power. Follow-up optical observations to search for galaxy over-densities anti-correlated with flux in the BIMA images, as might be expected from the SZ effect, proved to be inconclusive.

Geometry and solid angle corrections for accurate measurement of multipole and parity mixing ratios using nuclear orientation

NASA Astrophysics Data System (ADS)

Roccia, S.; Gaulard, C.; Étilé, A.; Chakma, R.

2017-07-01

In the context of nuclear orientation, we propose a new method to correct the multipole mixing ratios for asymmetries in the geometry of the setup but also in the detection system. This method is also robust against temperature fluctuations, beam intensity fluctuations and uncertainties in the nuclear structure of the nuclei. Additionally, this method provides a natural way to combine data from different detectors and make good use of all available statistics. We could use this method to demonstrate the accuracy that can be reached with the PolarEx setup now installed at the ALTO facility.

Method and apparatus for efficient photodetachment and purification of negative ion beams

DOEpatents

Beene, James R [Oak Ridge, TN; Liu, Yuan [Knoxville, TN; Havener, Charles C [Knoxville, TN

2008-02-26

Methods and apparatus are described for efficient photodetachment and purification of negative ion beams. A method of purifying an ion beam includes: inputting the ion beam into a gas-filled multipole ion guide, the ion beam including a plurality of ions; increasing a laser-ion interaction time by collisional cooling the plurality of ions using the gas-filled multipole ion guide, the plurality of ions including at least one contaminant; and suppressing the at least one contaminant by selectively removing the at least one contaminant from the ion beam by electron photodetaching at least a portion of the at least one contaminant using a laser beam.

Short-time self-diffusion coefficient of a particle in a colloidal suspension bounded by a microchannel: Virial expansions and simulation

NASA Astrophysics Data System (ADS)

Kȩdzierski, Marcin; Wajnryb, Eligiusz

2011-10-01

Self-diffusion of colloidal particles confined to a cylindrical microchannel is considered theoretically and numerically. Virial expansion of the self-diffusion coefficient is performed. Two-body and three-body hydrodynamic interactions are evaluated with high precision using the multipole method. The multipole expansion algorithm is also used to perform numerical simulations of the self-diffusion coefficient, valid for all possible particle packing fractions. Comparison with earlier results shows that the widely used method of reflections is insufficient for calculations of hydrodynamic interactions even for small packing fractions and small particles radii, contrary to the prevalent opinion.

Solutions of large-scale electromagnetics problems involving dielectric objects with the parallel multilevel fast multipole algorithm.

PubMed

Ergül, Özgür

2011-11-01

Fast and accurate solutions of large-scale electromagnetics problems involving homogeneous dielectric objects are considered. Problems are formulated with the electric and magnetic current combined-field integral equation and discretized with the Rao-Wilton-Glisson functions. Solutions are performed iteratively by using the multilevel fast multipole algorithm (MLFMA). For the solution of large-scale problems discretized with millions of unknowns, MLFMA is parallelized on distributed-memory architectures using a rigorous technique, namely, the hierarchical partitioning strategy. Efficiency and accuracy of the developed implementation are demonstrated on very large problems involving as many as 100 million unknowns.

Multipolar electromagnetic fields around neutron stars: general-relativistic vacuum solutions

NASA Astrophysics Data System (ADS)

Pétri, J.

2017-12-01

Magnetic fields inside and around neutron stars are at the heart of pulsar magnetospheric activity. Strong magnetic fields are responsible for quantum effects, an essential ingredient to produce leptonic pairs and the subsequent broad-band radiation. The variety of electromagnetic field topologies could lead to the observed diversity of neutron star classes. Thus, it is important to include multipolar components to a presumably dominant dipolar magnetic field. Exact analytical solutions for these multipoles in Newtonian gravity have been computed in recent literature. However, flat space-time is not adequate to describe physics in the immediate surroundings of neutron stars. We generalize the multipole expressions to the strong gravity regime by using a slowly rotating metric approximation such as the one expected around neutron stars. Approximate formulae for the electromagnetic field including frame dragging are computed from which we estimate the Poynting flux and the braking index. Corrections to leading order in compactness and spin parameter are presented. As far as spin-down luminosity is concerned, it is shown that frame dragging remains irrelevant. For high-order multipoles starting from the quadrupole, the electric part can radiate more efficiently than the magnetic part. Both analytical and numerical tools are employed.

A simple force-motion relation for migrating cells revealed by multipole analysis of traction stress.

PubMed

Tanimoto, Hirokazu; Sano, Masaki

2014-01-07

For biophysical understanding of cell motility, the relationship between mechanical force and cell migration must be uncovered, but it remains elusive. Since cells migrate at small scale in dissipative circumstances, the inertia force is negligible and all forces should cancel out. This implies that one must quantify the spatial pattern of the force instead of just the summation to elucidate the force-motion relation. Here, we introduced multipole analysis to quantify the traction stress dynamics of migrating cells. We measured the traction stress of Dictyostelium discoideum cells and investigated the lowest two moments, the force dipole and quadrupole moments, which reflect rotational and front-rear asymmetries of the stress field. We derived a simple force-motion relation in which cells migrate along the force dipole axis with a direction determined by the force quadrupole. Furthermore, as a complementary approach, we also investigated fine structures in the stress field that show front-rear asymmetric kinetics consistent with the multipole analysis. The tight force-motion relation enables us to predict cell migration only from the traction stress patterns. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Negative running of the spectral index, hemispherical asymmetry and the consistency of Planck with large r

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDonald, John, E-mail: j.mcdonald@lancaster.ac.uk

Planck favours a negative running of the spectral index, with the likelihood being dominated by low multipoles l ∼< 50 and no preference for running at higher l. A negative spectral index is also necessary for the 2- Planck upper bound on the tensor-to-scalar ratio r to be consistent with values significantly larger than 0.1. Planck has also observed a hemispherical asymmetry of the CMB power spectrum, again mostly at low multipoles. Here we consider whether the physics responsible for the hemispherical asymmetry could also account for the negative running of the spectral index and the consistency of Planck with a largemore » value of r. A negative running of the spectral index can be generated if the hemispherical asymmetry is due to a scale- and space-dependent modulation which suppresses the CMB power spectrum at low multipoles. We show that the observed hemispherical asymmetry at low l can be generated while satisfying constraints on the asymmetry at higher l and generating a negative spectral index of the right magnitude to account for the Planck observation and to allow Planck to be consistent with a large value of r.« less

Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohr, Stephan; Masella, Michel; Ratcliff, Laura E.

We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragments. We then introduce a simple and efficient formalism (which can be written as generalization of other well-known population analyses) to extract, from first principles, electrostatic multipoles for these fragments. The corresponding fragment multipoles can in this way be seen as reliable (pseudo-) observables. By applying our formalism within the code BigDFT, we show that the usage of a minimal set of in-situ optimized basis functions is of utmost importance for having at the same timemore » a proper fragment definition and an accurate description of the electronic structure. With this approach it becomes possible to simplify the modeling of environmental fragments by a set of multipoles, without notable loss of precision in the description of the active quantum mechanical region. Furthermore, this leads to a considerable reduction of the degrees of freedom by an effective coarsegraining approach, eventually also paving the way towards efficient QM/QM and QM/MM methods coupling together different levels of accuracy.« less

Quantum crystallographic charge density of urea

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the datamore » is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. Lastly, the results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.« less

Quantum crystallographic charge density of urea

DOE PAGES

Wall, Michael E.

2016-06-08

Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the datamore » is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. Lastly, the results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.« less

Isotropic C6, C8 and C10 interaction coefficients for CH 4, C 2H 6, C 3H 8, n-C 4H 10 and cyclo- C3H 6

NASA Astrophysics Data System (ADS)

Thomas, Gerald F.; Mulder, Fred; Meath, William J.

1980-12-01

The non-empirical generalized Kirkwood, Unsöld, and the single-Δ Unsöld methods (with double-zeta quality SCF wave-functions) are used to calculate isotropic dispersion (and induction) energy coefficients C2n, with n ⩽ 5, for interactions involving ground state CH 4, C 2H 6, C 3H 8, n-C 4H 10 and cyclo-C 3H 6. Results are also given for the related multipole polarizabilities α l, multipole sums S1/(0) and S1(-1) which are evaluated using sum rules, and the permanent multipole moments. for l = 1 (dipole) to l = 3 (octupole). Estimates of the reliability of the non-empirical methods, for the type of molecules considered, are obtained by a comparison with accurate literature values of α 1S1(-1) and C6. This, and the asymptotic properties of the multipolar expansion of the dispersion energy, the use to discuss recommended representation for the isotropic long range interaction energies through R-10 where R is the intermolecular separation.

Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis

DOE PAGES

Mohr, Stephan; Masella, Michel; Ratcliff, Laura E.; ...

2017-07-21

We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragments. We then introduce a simple and efficient formalism (which can be written as generalization of other well-known population analyses) to extract, from first principles, electrostatic multipoles for these fragments. The corresponding fragment multipoles can in this way be seen as reliable (pseudo-) observables. By applying our formalism within the code BigDFT, we show that the usage of a minimal set of in-situ optimized basis functions is of utmost importance for having at the same timemore » a proper fragment definition and an accurate description of the electronic structure. With this approach it becomes possible to simplify the modeling of environmental fragments by a set of multipoles, without notable loss of precision in the description of the active quantum mechanical region. Furthermore, this leads to a considerable reduction of the degrees of freedom by an effective coarsegraining approach, eventually also paving the way towards efficient QM/QM and QM/MM methods coupling together different levels of accuracy.« less

Efficient minimization of multipole electrostatic potentials in torsion space

PubMed Central

Bodmer, Nicholas K.

2018-01-01

The development of models of macromolecular electrostatics capable of delivering improved fidelity to quantum mechanical calculations is an active field of research in computational chemistry. Most molecular force field development takes place in the context of models with full Cartesian coordinate degrees of freedom. Nevertheless, a number of macromolecular modeling programs use a reduced set of conformational variables limited to rotatable bonds. Efficient algorithms for minimizing the energies of macromolecular systems with torsional degrees of freedom have been developed with the assumption that all atom-atom interaction potentials are isotropic. We describe novel modifications to address the anisotropy of higher order multipole terms while retaining the efficiency of these approaches. In addition, we present a treatment for obtaining derivatives of atom-centered tensors with respect to torsional degrees of freedom. We apply these results to enable minimization of the Amoeba multipole electrostatics potential in a system with torsional degrees of freedom, and validate the correctness of the gradients by comparison to finite difference approximations. In the interest of enabling a complete model of electrostatics with implicit treatment of solvent-mediated effects, we also derive expressions for the derivative of solvent accessible surface area with respect to torsional degrees of freedom. PMID:29641557

An efficient blocking M2L translation for low-frequency fast multipole method in three dimensions

NASA Astrophysics Data System (ADS)

Takahashi, Toru; Shimba, Yuta; Isakari, Hiroshi; Matsumoto, Toshiro

2016-05-01

We propose an efficient scheme to perform the multipole-to-local (M2L) translation in the three-dimensional low-frequency fast multipole method (LFFMM). Our strategy is to combine a group of matrix-vector products associated with M2L translation into a matrix-matrix product in order to diminish the memory traffic. For this purpose, we first developed a grouping method (termed as internal blocking) based on the congruent transformations (rotational and reflectional symmetries) of M2L-translators for each target box in the FMM hierarchy (adaptive octree). Next, we considered another method of grouping (termed as external blocking) that was able to handle M2L translations for multiple target boxes collectively by using the translational invariance of the M2L translation. By combining these internal and external blockings, the M2L translation can be performed efficiently whilst preservingthe numerical accuracy exactly. We assessed the proposed blocking scheme numerically and applied it to the boundary integral equation method to solve electromagnetic scattering problems for perfectly electrical conductor. From the numerical results, it was found that the proposed M2L scheme achieved a few times speedup compared to the non-blocking scheme.

Determining pseudoscalar meson photoproduction amplitudes from complete experiments

NASA Astrophysics Data System (ADS)

Sandorfi, A. M.; Hoblit, S.; Kamano, H.; Lee, T.-S. H.

2011-05-01

A new generation of complete experiments is focused on a high precision extraction of pseudoscalar meson photoproduction amplitudes. Here, we review the development of the most general analytic form of the cross section, dependent upon the three polarization vectors of the beam, target and recoil baryon, including all single-, double- and triple-polarization terms involving 16 spin-dependent observables. We examine the different conventions that have been used by different authors, and we present expressions that allow the direct numerical calculation of any pseudoscalar meson photoproduction observables with arbitrary spin projections from the Chew-Goldberger-Low-Nambu amplitudes. We use this numerical tool to clarify apparent sign differences that exist in the literature, in particular with the definitions of six double-polarization observables. We also present analytic expressions that determine the recoil baryon polarization, together with examples of their potential use with quasi-4π detectors to deduce observables. As an illustration of the use of the consistent machinery presented in this review, we carry out a multipole analysis of the γp → K+Λ reaction and examine the impact of recently published polarization measurements. When combining data from different experiments, we utilize the Fierz identities to fit a consistent set of scales. In fitting multipoles, we use a combined Monte Carlo sampling of the amplitude space, with gradient minimization, and find a shallow χ2 valley pitted with a very large number of local minima. This results in broad bands of multipole solutions that are experimentally indistinguishable. While these bands have been noticeably narrowed by the inclusion of new polarization measurements, many of the multipoles remain very poorly determined, even in sign, despite the inclusion of data on eight different observables. We have compared multipoles from recent PWA codes with our model-independent solution bands and found that such comparisons provide useful consistency tests which clarify model interpretations. The potential accuracy of amplitudes that could be extracted from measurements of all 16 polarization observables has been studied with mock data using the statistical variations that are expected from ongoing experiments. We conclude that, while a mathematical solution to the problem of determining an amplitude free of ambiguities may require eight observables, as has been pointed out in the literature, experiments with realistically achievable uncertainties will require a significantly larger number.

Stochastic goal-oriented error estimation with memory

NASA Astrophysics Data System (ADS)

Ackmann, Jan; Marotzke, Jochem; Korn, Peter

2017-11-01

We propose a stochastic dual-weighted error estimator for the viscous shallow-water equation with boundaries. For this purpose, previous work on memory-less stochastic dual-weighted error estimation is extended by incorporating memory effects. The memory is introduced by describing the local truncation error as a sum of time-correlated random variables. The random variables itself represent the temporal fluctuations in local truncation errors and are estimated from high-resolution information at near-initial times. The resulting error estimator is evaluated experimentally in two classical ocean-type experiments, the Munk gyre and the flow around an island. In these experiments, the stochastic process is adapted locally to the respective dynamical flow regime. Our stochastic dual-weighted error estimator is shown to provide meaningful error bounds for a range of physically relevant goals. We prove, as well as show numerically, that our approach can be interpreted as a linearized stochastic-physics ensemble.

Variations of cosmic large-scale structure covariance matrices across parameter space

NASA Astrophysics Data System (ADS)

Reischke, Robert; Kiessling, Alina; Schäfer, Björn Malte

2017-03-01

The likelihood function for cosmological parameters, given by e.g. weak lensing shear measurements, depends on contributions to the covariance induced by the non-linear evolution of the cosmic web. As highly non-linear clustering to date has only been described by numerical N-body simulations in a reliable and sufficiently precise way, the necessary computational costs for estimating those covariances at different points in parameter space are tremendous. In this work, we describe the change of the matter covariance and the weak lensing covariance matrix as a function of cosmological parameters by constructing a suitable basis, where we model the contribution to the covariance from non-linear structure formation using Eulerian perturbation theory at third order. We show that our formalism is capable of dealing with large matrices and reproduces expected degeneracies and scaling with cosmological parameters in a reliable way. Comparing our analytical results to numerical simulations, we find that the method describes the variation of the covariance matrix found in the SUNGLASS weak lensing simulation pipeline within the errors at one-loop and tree-level for the spectrum and the trispectrum, respectively, for multipoles up to ℓ ≤ 1300. We show that it is possible to optimize the sampling of parameter space where numerical simulations should be carried out by minimizing interpolation errors and propose a corresponding method to distribute points in parameter space in an economical way.

QUANTIFYING UNCERTAINTY DUE TO RANDOM ERRORS FOR MOMENT ANALYSES OF BREAKTHROUGH CURVES

EPA Science Inventory

The uncertainty in moments calculated from breakthrough curves (BTCs) is investigated as a function of random measurement errors in the data used to define the BTCs. The method presented assumes moments are calculated by numerical integration using the trapezoidal rule, and is t...

Random Versus Nonrandom Peer Review: A Case for More Meaningful Peer Review.

PubMed

Itri, Jason N; Donithan, Adam; Patel, Sohil H

2018-05-10

Random peer review programs are not optimized to discover cases with diagnostic error and thus have inherent limitations with respect to educational and quality improvement value. Nonrandom peer review offers an alternative approach in which diagnostic error cases are targeted for collection during routine clinical practice. The objective of this study was to compare error cases identified through random and nonrandom peer review approaches at an academic center. During the 1-year study period, the number of discrepancy cases and score of discrepancy were determined from each approach. The nonrandom peer review process collected 190 cases, of which 60 were scored as 2 (minor discrepancy), 94 as 3 (significant discrepancy), and 36 as 4 (major discrepancy). In the random peer review process, 1,690 cases were reviewed, of which 1,646 were scored as 1 (no discrepancy), 44 were scored as 2 (minor discrepancy), and none were scored as 3 or 4. Several teaching lessons and quality improvement measures were developed as a result of analysis of error cases collected through the nonrandom peer review process. Our experience supports the implementation of nonrandom peer review as a replacement to random peer review, with nonrandom peer review serving as a more effective method for collecting diagnostic error cases with educational and quality improvement value. Copyright © 2018 American College of Radiology. Published by Elsevier Inc. All rights reserved.

Efficient Measurement of Quantum Gate Error by Interleaved Randomized Benchmarking

NASA Astrophysics Data System (ADS)

Magesan, Easwar; Gambetta, Jay M.; Johnson, B. R.; Ryan, Colm A.; Chow, Jerry M.; Merkel, Seth T.; da Silva, Marcus P.; Keefe, George A.; Rothwell, Mary B.; Ohki, Thomas A.; Ketchen, Mark B.; Steffen, M.

2012-08-01

We describe a scalable experimental protocol for estimating the average error of individual quantum computational gates. This protocol consists of interleaving random Clifford gates between the gate of interest and provides an estimate as well as theoretical bounds for the average error of the gate under test, so long as the average noise variation over all Clifford gates is small. This technique takes into account both state preparation and measurement errors and is scalable in the number of qubits. We apply this protocol to a superconducting qubit system and find a bounded average error of 0.003 [0,0.016] for the single-qubit gates Xπ/2 and Yπ/2. These bounded values provide better estimates of the average error than those extracted via quantum process tomography.

Efficacy of Visual-Acoustic Biofeedback Intervention for Residual Rhotic Errors: A Single-Subject Randomization Study

ERIC Educational Resources Information Center

Byun, Tara McAllister

2017-01-01

Purpose: This study documented the efficacy of visual-acoustic biofeedback intervention for residual rhotic errors, relative to a comparison condition involving traditional articulatory treatment. All participants received both treatments in a single-subject experimental design featuring alternating treatments with blocked randomization of…

Statistical Analysis Experiment for Freshman Chemistry Lab.

ERIC Educational Resources Information Center

Salzsieder, John C.

1995-01-01

Describes a laboratory experiment dissolving zinc from galvanized nails in which data can be gathered very quickly for statistical analysis. The data have sufficient significant figures and the experiment yields a nice distribution of random errors. Freshman students can gain an appreciation of the relationships between random error, number of…

Evaluation of seasonal and spatial variations of lumped water balance model sensitivity to precipitation data errors

NASA Astrophysics Data System (ADS)

Xu, Chong-yu; Tunemar, Liselotte; Chen, Yongqin David; Singh, V. P.

2006-06-01

Sensitivity of hydrological models to input data errors have been reported in the literature for particular models on a single or a few catchments. A more important issue, i.e. how model's response to input data error changes as the catchment conditions change has not been addressed previously. This study investigates the seasonal and spatial effects of precipitation data errors on the performance of conceptual hydrological models. For this study, a monthly conceptual water balance model, NOPEX-6, was applied to 26 catchments in the Mälaren basin in Central Sweden. Both systematic and random errors were considered. For the systematic errors, 5-15% of mean monthly precipitation values were added to the original precipitation to form the corrupted input scenarios. Random values were generated by Monte Carlo simulation and were assumed to be (1) independent between months, and (2) distributed according to a Gaussian law of zero mean and constant standard deviation that were taken as 5, 10, 15, 20, and 25% of the mean monthly standard deviation of precipitation. The results show that the response of the model parameters and model performance depends, among others, on the type of the error, the magnitude of the error, physical characteristics of the catchment, and the season of the year. In particular, the model appears less sensitive to the random error than to the systematic error. The catchments with smaller values of runoff coefficients were more influenced by input data errors than were the catchments with higher values. Dry months were more sensitive to precipitation errors than were wet months. Recalibration of the model with erroneous data compensated in part for the data errors by altering the model parameters.

Determination of the precision error of the pulmonary artery thermodilution catheter using an in vitro continuous flow test rig.

PubMed

Yang, Xiao-Xing; Critchley, Lester A; Joynt, Gavin M

2011-01-01

Thermodilution cardiac output using a pulmonary artery catheter is the reference method against which all new methods of cardiac output measurement are judged. However, thermodilution lacks precision and has a quoted precision error of ± 20%. There is uncertainty about its true precision and this causes difficulty when validating new cardiac output technology. Our aim in this investigation was to determine the current precision error of thermodilution measurements. A test rig through which water circulated at different constant rates with ports to insert catheters into a flow chamber was assembled. Flow rate was measured by an externally placed transonic flowprobe and meter. The meter was calibrated by timed filling of a cylinder. Arrow and Edwards 7Fr thermodilution catheters, connected to a Siemens SC9000 cardiac output monitor, were tested. Thermodilution readings were made by injecting 5 mL of ice-cold water. Precision error was divided into random and systematic components, which were determined separately. Between-readings (random) variability was determined for each catheter by taking sets of 10 readings at different flow rates. Coefficient of variation (CV) was calculated for each set and averaged. Between-catheter systems (systematic) variability was derived by plotting calibration lines for sets of catheters. Slopes were used to estimate the systematic component. Performances of 3 cardiac output monitors were compared: Siemens SC9000, Siemens Sirecust 1261, and Philips MP50. Five Arrow and 5 Edwards catheters were tested using the Siemens SC9000 monitor. Flow rates between 0.7 and 7.0 L/min were studied. The CV (random error) for Arrow was 5.4% and for Edwards was 4.8%. The random precision error was ± 10.0% (95% confidence limits). CV (systematic error) was 5.8% and 6.0%, respectively. The systematic precision error was ± 11.6%. The total precision error of a single thermodilution reading was ± 15.3% and ± 13.0% for triplicate readings. Precision error increased by 45% when using the Sirecust monitor and 100% when using the Philips monitor. In vitro testing of pulmonary artery catheters enabled us to measure both the random and systematic error components of thermodilution cardiac output measurement, and thus calculate the precision error. Using the Siemens monitor, we established a precision error of ± 15.3% for single and ± 13.0% for triplicate reading, which was similar to the previous estimate of ± 20%. However, this precision error was significantly worsened by using the Sirecust and Philips monitors. Clinicians should recognize that the precision error of thermodilution cardiac output is dependent on the selection of catheter and monitor model.

Theoretical and observational analysis of spacecraft fields

NASA Technical Reports Server (NTRS)

Neubauer, F. M.; Schatten, K. H.

1972-01-01

In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Planck 2013 results. VII. HFI time response and beams

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Armitage-Caplan, C.; Arnaud, M.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bobin, J.; Bock, J. J.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Bowyer, J. W.; Bridges, M.; Bucher, M.; Burigana, C.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.-R.; Chiang, H. C.; Chiang, L.-Y.; Christensen, P. R.; Church, S.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.-M.; Désert, F.-X.; Diego, J. M.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Enßlin, T. A.; Eriksen, H. K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Galeotta, S.; Ganga, K.; Giard, M.; Giraud-Héraud, Y.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Haissinski, J.; Hansen, F. K.; Hanson, D.; Harrison, D.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Hou, Z.; Hovest, W.; Huffenberger, K. M.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Lasenby, A.; Laureijs, R. J.; Lawrence, C. R.; Leonardi, R.; Leroy, C.; Lesgourgues, J.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; MacTavish, C. J.; Maffei, B.; Mandolesi, N.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Massardi, M.; Matarrese, S.; Matsumura, T.; Matthai, F.; Mazzotta, P.; McGehee, P.; Melchiorri, A.; Mendes, L.; Mennella, A.; Migliaccio, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Nørgaard-Nielsen, H. U.; Noviello, F.; Novikov, D.; Novikov, I.; Osborne, S.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Pasian, F.; Patanchon, G.; Perdereau, O.; Perotto, L.; Perrotta, F.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polegre, A. M.; Polenta, G.; Ponthieu, N.; Popa, L.; Poutanen, T.; Pratt, G. W.; Prézeau, G.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rowan-Robinson, M.; Rusholme, B.; Sandri, M.; Santos, D.; Sauvé, A.; Savini, G.; Scott, D.; Shellard, E. P. S.; Spencer, L. D.; Starck, J.-L.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sureau, F.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Tavagnacco, D.; Terenzi, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Vittorio, N.; Wade, L. A.; Wandelt, B. D.; Yvon, D.; Zacchei, A.; Zonca, A.

2014-11-01

This paper characterizes the effective beams, the effective beam window functions and the associated errors for the Planck High Frequency Instrument (HFI) detectors. The effective beam is theangular response including the effect of the optics, detectors, data processing and the scan strategy. The window function is the representation of this beam in the harmonic domain which is required to recover an unbiased measurement of the cosmic microwave background angular power spectrum. The HFI is a scanning instrument and its effective beams are the convolution of: a) the optical response of the telescope and feeds; b) the processing of the time-ordered data and deconvolution of the bolometric and electronic transfer function; and c) the merging of several surveys to produce maps. The time response transfer functions are measured using observations of Jupiter and Saturn and by minimizing survey difference residuals. The scanning beam is the post-deconvolution angular response of the instrument, and is characterized with observations of Mars. The main beam solid angles are determined to better than 0.5% at each HFI frequency band. Observations of Jupiter and Saturn limit near sidelobes (within 5°) to about 0.1% of the total solid angle. Time response residuals remain as long tails in the scanning beams, but contribute less than 0.1% of the total solid angle. The bias and uncertainty in the beam products are estimated using ensembles of simulated planet observations that include the impact of instrumental noise and known systematic effects. The correlation structure of these ensembles is well-described by five error eigenmodes that are sub-dominant to sample variance and instrumental noise in the harmonic domain. A suite of consistency tests provide confidence that the error model represents a sufficient description of the data. The total error in the effective beam window functions is below 1% at 100 GHz up to multipole ℓ ~ 1500, and below 0.5% at 143 and 217 GHz up to ℓ ~ 2000.

On-board error correction improves IR earth sensor accuracy

NASA Astrophysics Data System (ADS)

Alex, T. K.; Kasturirangan, K.; Shrivastava, S. K.

1989-10-01

Infra-red earth sensors are used in satellites for attitude sensing. Their accuracy is limited by systematic and random errors. The sources of errors in a scanning infra-red earth sensor are analyzed in this paper. The systematic errors arising from seasonal variation of infra-red radiation, oblate shape of the earth, ambient temperature of sensor, changes in scan/spin rates have been analyzed. Simple relations are derived using least square curve fitting for on-board correction of these errors. Random errors arising out of noise from detector and amplifiers, instability of alignment and localized radiance anomalies are analyzed and possible correction methods are suggested. Sun and Moon interference on earth sensor performance has seriously affected a number of missions. The on-board processor detects Sun/Moon interference and corrects the errors on-board. It is possible to obtain eight times improvement in sensing accuracy, which will be comparable with ground based post facto attitude refinement.

Precipitation and Latent Heating Distributions from Satellite Passive Microwave Radiometry. Part 1; Improved Method and Uncertainties

NASA Technical Reports Server (NTRS)

Olson, William S.; Kummerow, Christian D.; Yang, Song; Petty, Grant W.; Tao, Wei-Kuo; Bell, Thomas L.; Braun, Scott A.; Wang, Yansen; Lang, Stephen E.; Johnson, Daniel E.;

Signal Space Separation Method for a Biomagnetic Sensor Array Arranged on a Flat Plane for Magnetocardiographic Applications: A Computer Simulation Study

PubMed Central

2018-01-01

Although the signal space separation (SSS) method can successfully suppress interference/artifacts overlapped onto magnetoencephalography (MEG) signals, the method is considered inapplicable to data from nonhelmet-type sensor arrays, such as the flat sensor arrays typically used in magnetocardiographic (MCG) applications. This paper shows that the SSS method is still effective for data measured from a (nonhelmet-type) array of sensors arranged on a flat plane. By using computer simulations, it is shown that the optimum location of the origin can be determined by assessing the dependence of signal and noise gains of the SSS extractor on the origin location. The optimum values of the parameters LC and LD, which, respectively, indicate the truncation values of the multipole-order ℓ of the internal and external subspaces, are also determined by evaluating dependences of the signal, noise, and interference gains (i.e., the shield factor) on these parameters. The shield factor exceeds 104 for interferences originating from fairly distant sources. However, the shield factor drops to approximately 100 when calibration errors of 0.1% exist and to 30 when calibration errors of 1% exist. The shielding capability can be significantly improved using vector sensors, which measure the x, y, and z components of the magnetic field. With 1% calibration errors, a vector sensor array still maintains a shield factor of approximately 500. It is found that the SSS application to data from flat sensor arrays causes a distortion in the signal magnetic field, but it is shown that the distortion can be corrected by using an SSS-modified sensor lead field in the voxel space analysis. PMID:29854364

On the existence of black holes in distorted Schwarzschild spacetime using marginally trapped surfaces

NASA Astrophysics Data System (ADS)

Pilkington, Terry

The classical definition of a black hole in terms of an event horizon relies on global properties of the spacetime. Realistic black holes have matter distributions surrounding them, which negates the asymptotic flatness needed for an event horizon. Using the (quasi-)local concept of marginally trapped surfaces, we investigate the Schwarzschild spacetime distorted by an axisymmetric matter distribution. We determine that it is possible to locate a future outer trapping horizon for a given foliation within certain value ranges of multipole moments. Furthermore, we show that there are no marginally trapped surfaces for arbitrary values of the multipole moment magnitudes. KEYWORDS: SCHWARZSCHILD; BLACK HOLE; DISTORTED SPACETIME; MARGINALLY TRAPPED SURFACE; FUTURE OUTER TRAPPING HORIZON

Exact formulas for multipole moments using Slater-type molecular orbitals

NASA Technical Reports Server (NTRS)

Jones, H. W.

1986-01-01

A triple infinite sum of formulas expressed as an expansion in Legendre polynomials is generated by use of computer algebra to represent the potential from the midpoint of two Slater-type orbitals; the charge density that determines the potential is given as the product of the two orbitals. An example using 1s orbitals shows that only a few terms are needed to obtain four-figure accuracy. Exact formulas are obtained for multipole moments by means of a careful study of expanded formulas, allowing an 'extrapolation to infinity'. This Loewdin alpha-function approach augmented by using a C matrix to characterize Slater-type orbitals can be readily generalized to all cases.

Dielectric metamaterials with toroidal dipolar response

DOE PAGES

Basharin, Alexey A.; Kafesaki, Maria; Economou, Eleftherios N.; ...

2015-03-27

Toroidal multipoles are the terms missing in the standard multipole expansion; they are usually overlooked due to their relatively weak coupling to the electromagnetic fields. Here, we propose and theoretically study all-dielectric metamaterials of a special class that represent a simple electromagnetic system supporting toroidal dipolar excitations in the THz part of the spectrum. In addition, we show that resonant transmission and reflection of such metamaterials is dominated by toroidal dipole scattering, the neglect of which would result in a misunderstanding interpretation of the metamaterials’ macroscopic response. Due to the unique field configuration of the toroidal mode, the proposed metamaterialsmore » could serve as a platform for sensing or enhancement of light absorption and optical nonlinearities.« less

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Experimental investigations of argon and xenon ion sources

NASA Technical Reports Server (NTRS)

Kaufman, H. R.

1975-01-01

The multipole thruster was used to investigate the use of argon and xenon propellants as possible alternatives to the electric thruster propellants of mercury and cesium. The multipole approach was used because of its general high performance level. The design employed, using flat and cylindrical rolled sections of sheet metal, was selected for ease of fabrication, design, assembly, and modification. All testing was conducted in a vacuum facility and the pumping was accomplished by a 0.8 m diffusion pump together with liquid nitrogen cooled liner. Minimum discharge losses were in the 200-250 ev. ion range for both argon and xenon. Flatness parameters were typically in the 0.70-0.75 range.

AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS

PubMed Central

Bajaj, Chandrajit; Chen, Shun-Chuan; Rand, Alexander

2011-01-01

In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson-Boltzmann equation. Our approach combines several important features including the derivative boundary formulation of the problem and a smooth approximation of the molecular surface based on the algebraic spline molecular surface. State of the art software for numerical linear algebra and the kernel independent fast multipole method is used for both simplicity and efficiency of our implementation. We perform a variety of computational experiments, testing our method on a number of actual proteins involved in molecular docking and demonstrating the effectiveness of our solver for computing molecular polarization energy. PMID:21660123

General quadrupolar statistical anisotropy: Planck limits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramazanov, S.; Rubtsov, G.; Thorsrud, M.

2017-03-01

Several early Universe scenarios predict a direction-dependent spectrum of primordial curvature perturbations. This translates into the violation of the statistical isotropy of cosmic microwave background radiation. Previous searches for statistical anisotropy mainly focussed on a quadrupolar direction-dependence characterised by a single multipole vector and an overall amplitude g {sub *}. Generically, however, the quadrupole has a more complicated geometry described by two multipole vectors and g {sub *}. This is the subject of the present work. In particular, we limit the amplitude g {sub *} for different shapes of the quadrupole by making use of Planck 2015 maps. We alsomore » constrain certain inflationary scenarios which predict this kind of more general quadrupolar statistical anisotropy.« less

Possible connection between the location of the cutoff in the cosmic microwave background spectrum and the equation of state of dark energy.

PubMed

Enqvist, Kari; Sloth, Martin S

2004-11-26

We investigate a possible connection between the suppression of the power at low multipoles in the cosmic microwave background (CMB) spectrum and the late time acceleration. We show that, assuming a cosmic IR/UV duality between the UV cutoff and a global infrared cutoff given by the size of the future event horizon, the equation of state of the dark energy can be related to the apparent cutoff in the CMB spectrum. The present limits on the equation of state of dark energy are shown to imply an IR cutoff in the CMB multipole interval of 9>l>8.5.

What Randomized Benchmarking Actually Measures

DOE PAGES

Proctor, Timothy; Rudinger, Kenneth; Young, Kevin; ...

2017-09-28

Randomized benchmarking (RB) is widely used to measure an error rate of a set of quantum gates, by performing random circuits that would do nothing if the gates were perfect. In the limit of no finite-sampling error, the exponential decay rate of the observable survival probabilities, versus circuit length, yields a single error metric r. For Clifford gates with arbitrary small errors described by process matrices, r was believed to reliably correspond to the mean, over all Clifford gates, of the average gate infidelity between the imperfect gates and their ideal counterparts. We show that this quantity is not amore » well-defined property of a physical gate set. It depends on the representations used for the imperfect and ideal gates, and the variant typically computed in the literature can differ from r by orders of magnitude. We present new theories of the RB decay that are accurate for all small errors describable by process matrices, and show that the RB decay curve is a simple exponential for all such errors. Here, these theories allow explicit computation of the error rate that RB measures (r), but as far as we can tell it does not correspond to the infidelity of a physically allowed (completely positive) representation of the imperfect gates.« less

Quantifying errors without random sampling.

PubMed

Phillips, Carl V; LaPole, Luwanna M

2003-06-12

All quantifications of mortality, morbidity, and other health measures involve numerous sources of error. The routine quantification of random sampling error makes it easy to forget that other sources of error can and should be quantified. When a quantification does not involve sampling, error is almost never quantified and results are often reported in ways that dramatically overstate their precision. We argue that the precision implicit in typical reporting is problematic and sketch methods for quantifying the various sources of error, building up from simple examples that can be solved analytically to more complex cases. There are straightforward ways to partially quantify the uncertainty surrounding a parameter that is not characterized by random sampling, such as limiting reported significant figures. We present simple methods for doing such quantifications, and for incorporating them into calculations. More complicated methods become necessary when multiple sources of uncertainty must be combined. We demonstrate that Monte Carlo simulation, using available software, can estimate the uncertainty resulting from complicated calculations with many sources of uncertainty. We apply the method to the current estimate of the annual incidence of foodborne illness in the United States. Quantifying uncertainty from systematic errors is practical. Reporting this uncertainty would more honestly represent study results, help show the probability that estimated values fall within some critical range, and facilitate better targeting of further research.

Random errors of oceanic monthly rainfall derived from SSM/I using probability distribution functions

NASA Technical Reports Server (NTRS)

Chang, Alfred T. C.; Chiu, Long S.; Wilheit, Thomas T.

1993-01-01

Global averages and random errors associated with the monthly oceanic rain rates derived from the Special Sensor Microwave/Imager (SSM/I) data using the technique developed by Wilheit et al. (1991) are computed. Accounting for the beam-filling bias, a global annual average rain rate of 1.26 m is computed. The error estimation scheme is based on the existence of independent (morning and afternoon) estimates of the monthly mean. Calculations show overall random errors of about 50-60 percent for each 5 deg x 5 deg box. The results are insensitive to different sampling strategy (odd and even days of the month). Comparison of the SSM/I estimates with raingage data collected at the Pacific atoll stations showed a low bias of about 8 percent, a correlation of 0.7, and an rms difference of 55 percent.

Correcting the Standard Errors of 2-Stage Residual Inclusion Estimators for Mendelian Randomization Studies

PubMed Central

Palmer, Tom M; Holmes, Michael V; Keating, Brendan J; Sheehan, Nuala A

2017-01-01

Abstract Mendelian randomization studies use genotypes as instrumental variables to test for and estimate the causal effects of modifiable risk factors on outcomes. Two-stage residual inclusion (TSRI) estimators have been used when researchers are willing to make parametric assumptions. However, researchers are currently reporting uncorrected or heteroscedasticity-robust standard errors for these estimates. We compared several different forms of the standard error for linear and logistic TSRI estimates in simulations and in real-data examples. Among others, we consider standard errors modified from the approach of Newey (1987), Terza (2016), and bootstrapping. In our simulations Newey, Terza, bootstrap, and corrected 2-stage least squares (in the linear case) standard errors gave the best results in terms of coverage and type I error. In the real-data examples, the Newey standard errors were 0.5% and 2% larger than the unadjusted standard errors for the linear and logistic TSRI estimators, respectively. We show that TSRI estimators with modified standard errors have correct type I error under the null. Researchers should report TSRI estimates with modified standard errors instead of reporting unadjusted or heteroscedasticity-robust standard errors. PMID:29106476

Flux control coefficients determined by inhibitor titration: the design and analysis of experiments to minimize errors.

PubMed Central

Small, J R

1993-01-01

This paper is a study into the effects of experimental error on the estimated values of flux control coefficients obtained using specific inhibitors. Two possible techniques for analysing the experimental data are compared: a simple extrapolation method (the so-called graph method) and a non-linear function fitting method. For these techniques, the sources of systematic errors are identified and the effects of systematic and random errors are quantified, using both statistical analysis and numerical computation. It is shown that the graph method is very sensitive to random errors and, under all conditions studied, that the fitting method, even under conditions where the assumptions underlying the fitted function do not hold, outperformed the graph method. Possible ways of designing experiments to minimize the effects of experimental errors are analysed and discussed. PMID:8257434

Evaluation of random errors in Williams’ series coefficients obtained with digital image correlation

NASA Astrophysics Data System (ADS)

Lychak, Oleh V.; Holyns'kiy, Ivan S.

2016-03-01

The use of the Williams’ series parameters for fracture analysis requires valid information about their error values. The aim of this investigation is the development of the method for estimation of the standard deviation of random errors of the Williams’ series parameters, obtained from the measured components of the stress field. Also, the criteria for choosing the optimal number of terms in the truncated Williams’ series for derivation of their parameters with minimal errors is proposed. The method was used for the evaluation of the Williams’ parameters, obtained from the data, and measured by the digital image correlation technique for testing a three-point bending specimen.

Large Uncertainty in Estimating pCO2 From Carbonate Equilibria in Lakes

NASA Astrophysics Data System (ADS)

Golub, Malgorzata; Desai, Ankur R.; McKinley, Galen A.; Remucal, Christina K.; Stanley, Emily H.

2017-11-01

Most estimates of carbon dioxide (CO2) evasion from freshwaters rely on calculating partial pressure of aquatic CO2 (pCO2) from two out of three CO2-related parameters using carbonate equilibria. However, the pCO2 uncertainty has not been systematically evaluated across multiple lake types and equilibria. We quantified random errors in pH, dissolved inorganic carbon, alkalinity, and temperature from the North Temperate Lakes Long-Term Ecological Research site in four lake groups across a broad gradient of chemical composition. These errors were propagated onto pCO2 calculated from three carbonate equilibria, and for overlapping observations, compared against uncertainties in directly measured pCO2. The empirical random errors in CO2-related parameters were mostly below 2% of their median values. Resulting random pCO2 errors ranged from ±3.7% to ±31.5% of the median depending on alkalinity group and choice of input parameter pairs. Temperature uncertainty had a negligible effect on pCO2. When compared with direct pCO2 measurements, all parameter combinations produced biased pCO2 estimates with less than one third of total uncertainty explained by random pCO2 errors, indicating that systematic uncertainty dominates over random error. Multidecadal trend of pCO2 was difficult to reconstruct from uncertain historical observations of CO2-related parameters. Given poor precision and accuracy of pCO2 estimates derived from virtually any combination of two CO2-related parameters, we recommend direct pCO2 measurements where possible. To achieve consistently robust estimates of CO2 emissions from freshwater components of terrestrial carbon balances, future efforts should focus on improving accuracy and precision of CO2-related parameters (including direct pCO2) measurements and associated pCO2 calculations.

Traction reveals mechanisms of wall effects for microswimmers near boundaries

NASA Astrophysics Data System (ADS)

Shen, Xinhui; Marcos, Fu, Henry C.

2017-03-01

The influence of a plane boundary on low-Reynolds-number swimmers has frequently been studied using image systems for flow singularities. However, the boundary effect can also be expressed using a boundary integral representation over the traction on the boundary. We show that examining the traction pattern on the boundary caused by a swimmer can yield physical insights into determining when far-field multipole models are accurate. We investigate the swimming velocities and the traction of a three-sphere swimmer initially placed parallel to an infinite planar wall. In the far field, the instantaneous effect of the wall on the swimmer is well approximated by that of a multipole expansion consisting of a force dipole and a force quadrupole. On the other hand, the swimmer close to the wall must be described by a system of singularities reflecting its internal structure. We show that these limits and the transition between them can be independently identified by examining the traction pattern on the wall, either using a quantitative correlation coefficient or by visual inspection. Last, we find that for nonconstant propulsion, correlations between swimming stroke motions and internal positions are important and not captured by time-averaged traction on the wall, indicating that care must be taken when applying multipole expansions to study boundary effects in cases of nonconstant propulsion.

Traction reveals mechanisms of wall effects for microswimmers near boundaries.

PubMed

Shen, Xinhui; Marcos; Fu, Henry C

2017-03-01

The influence of a plane boundary on low-Reynolds-number swimmers has frequently been studied using image systems for flow singularities. However, the boundary effect can also be expressed using a boundary integral representation over the traction on the boundary. We show that examining the traction pattern on the boundary caused by a swimmer can yield physical insights into determining when far-field multipole models are accurate. We investigate the swimming velocities and the traction of a three-sphere swimmer initially placed parallel to an infinite planar wall. In the far field, the instantaneous effect of the wall on the swimmer is well approximated by that of a multipole expansion consisting of a force dipole and a force quadrupole. On the other hand, the swimmer close to the wall must be described by a system of singularities reflecting its internal structure. We show that these limits and the transition between them can be independently identified by examining the traction pattern on the wall, either using a quantitative correlation coefficient or by visual inspection. Last, we find that for nonconstant propulsion, correlations between swimming stroke motions and internal positions are important and not captured by time-averaged traction on the wall, indicating that care must be taken when applying multipole expansions to study boundary effects in cases of nonconstant propulsion.

Design, simulation and testing of a novel radial multi-pole multi-layer magnetorheological brake

NASA Astrophysics Data System (ADS)

Wu, Jie; Li, Hua; Jiang, Xuezheng; Yao, Jin

2018-02-01

This paper deals with design, simulation and experimental testing of a novel radial multi-pole multi-layer magnetorheological (MR) brake. This MR brake has an innovative structural design with superposition principle of two magnetic fields generated by the inner coils and the outer coils. The MR brake has several media layers of magnetorheological (MR) fluid located between the inner coils and the outer coils, and it can provide higher torque and higher torque density than conventional single-disk or multi-disk or multi-pole single-layer MR brakes can. In this paper, a brief introduction to the structure of the proposed MR brake was given first. Then, theoretical analysis of the magnetic circuit and the braking torque was conducted. In addition, a 3D electromagnetic model of the MR brake was developed to simulate and examine the magnetic flux intensity and corresponding braking torque. A prototype of the brake was fabricated and several tests were carried out to validate its torque capacity. The results show that the proposed MR brake can produce a maximum braking torque of 133 N m and achieve a high torque density of 25.0 kN m-2, a high torque range of 42 and a high torque-to-power ratio of 0.95 N m W-1.

Anatomy of the binary black hole recoil: A multipolar analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schnittman, Jeremy D.; Buonanno, Alessandra; Meter, James R. van

2008-02-15

We present a multipolar analysis of the gravitational recoil computed in recent numerical simulations of binary black hole coalescence, for both unequal masses and nonzero, nonprecessing spins. We show that multipole moments up to and including l=4 are sufficient to accurately reproduce the final recoil velocity (within {approx_equal}2%) and that only a few dominant modes contribute significantly to it (within {approx_equal}5%). We describe how the relative amplitudes, and more importantly, the relative phases, of these few modes control the way in which the recoil builds up throughout the inspiral, merger, and ringdown phases. We also find that the numerical resultsmore » can be reproduced by an 'effective Newtonian' formula for the multipole moments obtained by replacing the radial separation in the Newtonian formulas with an effective radius computed from the numerical data. Beyond the merger, the numerical results are reproduced by a superposition of three Kerr quasinormal modes. Analytic formulas, obtained by expressing the multipole moments in terms of the fundamental quasinormal modes of a Kerr black hole, are able to explain the onset and amount of 'antikick' for each of the simulations. Lastly, we apply this multipolar analysis to help explain the remarkable difference between the amplitudes of planar and nonplanar kicks for equal-mass spinning black holes.« less

Anatomy of the Binary Black Hole Recoil: A Multipolar Analysis

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy; Buonanno, Alessandra; vanMeter, James R.; Baker, John G.; Boggs, William D.; Centrella, Joan; Kelly, Bernard J.; McWilliams, Sean T.

2007-01-01

We present a multipolar analysis of the recoil velocity computed in recent numerical simulations of binary black hole coalescence, for both unequal masses and non-zero, non-precessing spins. We show that multipole moments up to and including 1 = 4 are sufficient to accurately reproduce the final recoil velocity (= 98%) and that only a few dominant modes contribute significantly to it (2 95%). We describe how the relative amplitude, and more importantly, the relative phase, of these few modes control the way in which the recoil builds up throughout the inspiral, merger, and ring-down phases. We also find that the numerical results can be reproduced, to a high level of accuracy, by an effective Newtonian formula for the multipole moments obtained by replacing in the Newtonian formula the radial separation with an effective radius computed from the numerical data. Beyond the merger, the numerical results are reproduced by a superposition of three Kerr quasi-normal modes. Analytic formulae, obtained by expressing the multipole moments in terms of the fundamental QNMs of a Kerr BH, are able to explain the onset and amount of '.anti-kick" for each of the simulations. Lastly, we apply this multipolar analysis to understand the remarkable difference between the amplitudes of planar and non-planar kicks for equal-mass spinning black holes.

Rectangular beam (5 X 40 cm multipole ion source). M.S. Thesis - Nov. 1979; [applications to electron bombardment in materials processing

NASA Technical Reports Server (NTRS)

Haynes, C. M.

1980-01-01

A 5 x 40 cm rectangular-beam ion source was designed and fabricated. A multipole field configuration was used to facilitate design of the modular rectangular chamber, while a three-grid ion optics system was used for increased ion current densities. For the multipole chamber, a magnetic integral of 0.000056 Tesla-m was used to contain the primary electrons. This integral value was reduced from the initial design value, with the reduction found necessary for discharge stability. The final value of magnetic integral resulted in discharge losses at typical operating conditions which ranged from 600 to 1000 eV/ion, in good agreement with the design value of 800 eV/ion. The beam current density at the ion optics was limited to about 3.2 mA/sq cm at 500 eV and to about 3.5 mA/sq cm at 1000 ev. The effects of nonuniform ion current, dimension tolerance, and grid thermal warping were considered. The use of multiple rectangular-beam ion sources to process wider areas than would be possible with a single source (approx. 40 cm) was also studied. Beam profiles were surveyed at a variety of operating conditions and the results of various amounts of beam overlap calculated.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Juan; Beltran, Chris J., E-mail: beltran.chris@mayo.edu; Herman, Michael G.

Purpose: To quantitatively and systematically assess dosimetric effects induced by spot positioning error as a function of spot spacing (SS) on intensity-modulated proton therapy (IMPT) plan quality and to facilitate evaluation of safety tolerance limits on spot position. Methods: Spot position errors (PE) ranging from 1 to 2 mm were simulated. Simple plans were created on a water phantom, and IMPT plans were calculated on two pediatric patients with a brain tumor of 28 and 3 cc, respectively, using a commercial planning system. For the phantom, a uniform dose was delivered to targets located at different depths from 10 tomore » 20 cm with various field sizes from 2{sup 2} to 15{sup 2} cm{sup 2}. Two nominal spot sizes, 4.0 and 6.6 mm of 1 σ in water at isocenter, were used for treatment planning. The SS ranged from 0.5 σ to 1.5 σ, which is 2–6 mm for the small spot size and 3.3–9.9 mm for the large spot size. Various perturbation scenarios of a single spot error and systematic and random multiple spot errors were studied. To quantify the dosimetric effects, percent dose error (PDE) depth profiles and the value of percent dose error at the maximum dose difference (PDE [ΔDmax]) were used for evaluation. Results: A pair of hot and cold spots was created per spot shift. PDE[ΔDmax] is found to be a complex function of PE, SS, spot size, depth, and global spot distribution that can be well defined in simple models. For volumetric targets, the PDE [ΔDmax] is not noticeably affected by the change of field size or target volume within the studied ranges. In general, reducing SS decreased the dose error. For the facility studied, given a single spot error with a PE of 1.2 mm and for both spot sizes, a SS of 1σ resulted in a 2% maximum dose error; a SS larger than 1.25 σ substantially increased the dose error and its sensitivity to PE. A similar trend was observed in multiple spot errors (both systematic and random errors). Systematic PE can lead to noticeable hot spots along the field edges, which may be near critical structures. However, random PE showed minimal dose error. Conclusions: Dose error dependence for PE was quantitatively and systematically characterized and an analytic tool was built to simulate systematic and random errors for patient-specific IMPT. This information facilitates the determination of facility specific spot position error thresholds.« less

Neutrino and dark radiation properties in light of recent CMB observations

NASA Astrophysics Data System (ADS)

Archidiacono, Maria; Giusarma, Elena; Melchiorri, Alessandro; Mena, Olga

2013-05-01

Recent cosmic microwave background measurements at high multipoles from the South Pole Telescope and from the Atacama Cosmology Telescope seem to disagree in their conclusions for the neutrino and dark radiation properties. In this paper we set new bounds on the dark radiation and neutrino properties in different cosmological scenarios combining the ACT and SPT data with the nine-year data release of the Wilkinson Microwave Anisotropy Probe (WMAP-9), baryon acoustic oscillation data, Hubble Telescope measurements of the Hubble constant, and supernovae Ia luminosity distance data. In the standard three massive neutrino case, the two high multipole probes give similar results if baryon acoustic oscillation data are removed from the analyses and Hubble Telescope measurements are also exploited. A similar result is obtained within a standard cosmology with Neff massless neutrinos, although in this case the agreement between these two measurements is also improved when considering simultaneously baryon acoustic oscillation data and Hubble Space Telescope measurements. In the Neff massive neutrino case the two high multipole probes give very different results regardless of the external data sets used in the combined analyses. When considering extended cosmological scenarios with a dark energy equation of state or with a running of the scalar spectral index, the evidence for neutrino masses found for the South Pole Telescope in the three neutrino scenario disappears for all the data combinations explored here. Again, adding Hubble Telescope data seems to improve the agreement between the two high multipole cosmic microwave background measurements considered here. In the case in which a dark radiation background with unknown clustering properties is also considered, SPT data seem to exclude the standard value for the dark radiation viscosity cvis2=1/3 at the 2σ C.L., finding evidence for massive neutrinos only when combining SPT data with baryon acoustic oscillation measurements.

High-Resolution Crystal Structures of Protein Helices Reconciled with Three-Centered Hydrogen Bonds and Multipole Electrostatics

PubMed Central

Kuster, Daniel J.; Liu, Chengyu; Fang, Zheng; Ponder, Jay W.; Marshall, Garland R.

2015-01-01

Theoretical and experimental evidence for non-linear hydrogen bonds in protein helices is ubiquitous. In particular, amide three-centered hydrogen bonds are common features of helices in high-resolution crystal structures of proteins. These high-resolution structures (1.0 to 1.5 Å nominal crystallographic resolution) position backbone atoms without significant bias from modeling constraints and identify Φ = -62°, ψ = -43 as the consensus backbone torsional angles of protein helices. These torsional angles preserve the atomic positions of α-β carbons of the classic Pauling α-helix while allowing the amide carbonyls to form bifurcated hydrogen bonds as first suggested by Némethy et al. in 1967. Molecular dynamics simulations of a capped 12-residue oligoalanine in water with AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Applications), a second-generation force field that includes multipole electrostatics and polarizability, reproduces the experimentally observed high-resolution helical conformation and correctly reorients the amide-bond carbonyls into bifurcated hydrogen bonds. This simple modification of backbone torsional angles reconciles experimental and theoretical views to provide a unified view of amide three-centered hydrogen bonds as crucial components of protein helices. The reason why they have been overlooked by structural biologists depends on the small crankshaft-like changes in orientation of the amide bond that allows maintenance of the overall helical parameters (helix pitch (p) and residues per turn (n)). The Pauling 3.613 α-helix fits the high-resolution experimental data with the minor exception of the amide-carbonyl electron density, but the previously associated backbone torsional angles (Φ, Ψ) needed slight modification to be reconciled with three-atom centered H-bonds and multipole electrostatics. Thus, a new standard helix, the 3.613/10-, Némethy- or N-helix, is proposed. Due to the use of constraints from monopole force fields and assumed secondary structures used in low-resolution refinement of electron density of proteins, such structures in the PDB often show linear hydrogen bonding. PMID:25894612

High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics.

PubMed

Kuster, Daniel J; Liu, Chengyu; Fang, Zheng; Ponder, Jay W; Marshall, Garland R

2015-01-01

Theoretical and experimental evidence for non-linear hydrogen bonds in protein helices is ubiquitous. In particular, amide three-centered hydrogen bonds are common features of helices in high-resolution crystal structures of proteins. These high-resolution structures (1.0 to 1.5 Å nominal crystallographic resolution) position backbone atoms without significant bias from modeling constraints and identify Φ = -62°, ψ = -43 as the consensus backbone torsional angles of protein helices. These torsional angles preserve the atomic positions of α-β carbons of the classic Pauling α-helix while allowing the amide carbonyls to form bifurcated hydrogen bonds as first suggested by Némethy et al. in 1967. Molecular dynamics simulations of a capped 12-residue oligoalanine in water with AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Applications), a second-generation force field that includes multipole electrostatics and polarizability, reproduces the experimentally observed high-resolution helical conformation and correctly reorients the amide-bond carbonyls into bifurcated hydrogen bonds. This simple modification of backbone torsional angles reconciles experimental and theoretical views to provide a unified view of amide three-centered hydrogen bonds as crucial components of protein helices. The reason why they have been overlooked by structural biologists depends on the small crankshaft-like changes in orientation of the amide bond that allows maintenance of the overall helical parameters (helix pitch (p) and residues per turn (n)). The Pauling 3.6(13) α-helix fits the high-resolution experimental data with the minor exception of the amide-carbonyl electron density, but the previously associated backbone torsional angles (Φ, Ψ) needed slight modification to be reconciled with three-atom centered H-bonds and multipole electrostatics. Thus, a new standard helix, the 3.6(13/10)-, Némethy- or N-helix, is proposed. Due to the use of constraints from monopole force fields and assumed secondary structures used in low-resolution refinement of electron density of proteins, such structures in the PDB often show linear hydrogen bonding.

Testing the Recognition and Perception of Errors in Context

ERIC Educational Resources Information Center

Brandenburg, Laura C.

2015-01-01

This study tests the recognition of errors in context and whether the presence of errors affects the reader's perception of the writer's ethos. In an experimental, posttest only design, participants were randomly assigned a memo to read in an online survey: one version with errors and one version without. Of the six intentional errors in version…

Exploring Measurement Error with Cookies: A Real and Virtual Approach via Interactive Excel

ERIC Educational Resources Information Center

Sinex, Scott A; Gage, Barbara A.; Beck, Peggy J.

2007-01-01

A simple, guided-inquiry investigation using stacked sandwich cookies is employed to develop a simple linear mathematical model and to explore measurement error by incorporating errors as part of the investigation. Both random and systematic errors are presented. The model and errors are then investigated further by engaging with an interactive…

Estimation of population mean in the presence of measurement error and non response under stratified random sampling

PubMed Central

Shabbir, Javid

2018-01-01

In the present paper we propose an improved class of estimators in the presence of measurement error and non-response under stratified random sampling for estimating the finite population mean. The theoretical and numerical studies reveal that the proposed class of estimators performs better than other existing estimators. PMID:29401519

Perceptions of Randomness: Why Three Heads Are Better than Four

ERIC Educational Resources Information Center

Hahn, Ulrike; Warren, Paul A.

2009-01-01

A long tradition of psychological research has lamented the systematic errors and biases in people's perception of the characteristics of sequences generated by a random mechanism such as a coin toss. It is proposed that once the likely nature of people's actual experience of such processes is taken into account, these "errors" and "biases"…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elliott, C.J.; McVey, B.; Quimby, D.C.

The level of field errors in an FEL is an important determinant of its performance. We have computed 3D performance of a large laser subsystem subjected to field errors of various types. These calculations have been guided by simple models such as SWOOP. The technique of choice is utilization of the FELEX free electron laser code that now possesses extensive engineering capabilities. Modeling includes the ability to establish tolerances of various types: fast and slow scale field bowing, field error level, beam position monitor error level, gap errors, defocusing errors, energy slew, displacement and pointing errors. Many effects of thesemore » errors on relative gain and relative power extraction are displayed and are the essential elements of determining an error budget. The random errors also depend on the particular random number seed used in the calculation. The simultaneous display of the performance versus error level of cases with multiple seeds illustrates the variations attributable to stochasticity of this model. All these errors are evaluated numerically for comprehensive engineering of the system. In particular, gap errors are found to place requirements beyond mechanical tolerances of {plus minus}25{mu}m, and amelioration of these may occur by a procedure utilizing direct measurement of the magnetic fields at assembly time. 4 refs., 12 figs.« less

Statistical model for speckle pattern optimization.

PubMed

Su, Yong; Zhang, Qingchuan; Gao, Zeren

2017-11-27

Image registration is the key technique of optical metrologies such as digital image correlation (DIC), particle image velocimetry (PIV), and speckle metrology. Its performance depends critically on the quality of image pattern, and thus pattern optimization attracts extensive attention. In this article, a statistical model is built to optimize speckle patterns that are composed of randomly positioned speckles. It is found that the process of speckle pattern generation is essentially a filtered Poisson process. The dependence of measurement errors (including systematic errors, random errors, and overall errors) upon speckle pattern generation parameters is characterized analytically. By minimizing the errors, formulas of the optimal speckle radius are presented. Although the primary motivation is from the field of DIC, we believed that scholars in other optical measurement communities, such as PIV and speckle metrology, will benefit from these discussions.

The decline and fall of Type II error rates

Treesearch

Steve Verrill; Mark Durst

2005-01-01

For general linear models with normally distributed random errors, the probability of a Type II error decreases exponentially as a function of sample size. This potentially rapid decline reemphasizes the importance of performing power calculations.

Asymmetric Memory Circuit Would Resist Soft Errors

NASA Technical Reports Server (NTRS)

Buehler, Martin G.; Perlman, Marvin

1990-01-01

Some nonlinear error-correcting codes more efficient in presence of asymmetry. Combination of circuit-design and coding concepts expected to make integrated-circuit random-access memories more resistant to "soft" errors (temporary bit errors, also called "single-event upsets" due to ionizing radiation). Integrated circuit of new type made deliberately more susceptible to one kind of bit error than to other, and associated error-correcting code adapted to exploit this asymmetry in error probabilities.

Precipitation and Latent Heating Distributions from Satellite Passive Microwave Radiometry. Part 1; Method and Uncertainties

NASA Technical Reports Server (NTRS)

Olson, William S.; Kummerow, Christian D.; Yang, Song; Petty, Grant W.; Tao, Wei-Kuo; Bell, Thomas L.; Braun, Scott A.; Wang, Yansen; Lang, Stephen E.; Johnson, Daniel E.

2004-01-01

A revised Bayesian algorithm for estimating surface rain rate, convective rain proportion, and latent heating/drying profiles from satellite-borne passive microwave radiometer observations over ocean backgrounds is described. The algorithm searches a large database of cloud-radiative model simulations to find cloud profiles that are radiatively consistent with a given set of microwave radiance measurements. The properties of these radiatively consistent profiles are then composited to obtain best estimates of the observed properties. The revised algorithm is supported by an expanded and more physically consistent database of cloud-radiative model simulations. The algorithm also features a better quantification of the convective and non-convective contributions to total rainfall, a new geographic database, and an improved representation of background radiances in rain-free regions. Bias and random error estimates are derived from applications of the algorithm to synthetic radiance data, based upon a subset of cloud resolving model simulations, and from the Bayesian formulation itself. Synthetic rain rate and latent heating estimates exhibit a trend of high (low) bias for low (high) retrieved values. The Bayesian estimates of random error are propagated to represent errors at coarser time and space resolutions, based upon applications of the algorithm to TRMM Microwave Imager (TMI) data. Errors in instantaneous rain rate estimates at 0.5 deg resolution range from approximately 50% at 1 mm/h to 20% at 14 mm/h. These errors represent about 70-90% of the mean random deviation between collocated passive microwave and spaceborne radar rain rate estimates. The cumulative algorithm error in TMI estimates at monthly, 2.5 deg resolution is relatively small (less than 6% at 5 mm/day) compared to the random error due to infrequent satellite temporal sampling (8-35% at the same rain rate).

Theoretical analysis on the measurement errors of local 2D DIC: Part I temporal and spatial uncertainty quantification of displacement measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yueqi; Lava, Pascal; Reu, Phillip

This study presents a theoretical uncertainty quantification of displacement measurements by subset-based 2D-digital image correlation. A generalized solution to estimate the random error of displacement measurement is presented. The obtained solution suggests that the random error of displacement measurements is determined by the image noise, the summation of the intensity gradient in a subset, the subpixel part of displacement, and the interpolation scheme. The proposed method is validated with virtual digital image correlation tests.

Theoretical analysis on the measurement errors of local 2D DIC: Part I temporal and spatial uncertainty quantification of displacement measurements

DOE PAGES

Wang, Yueqi; Lava, Pascal; Reu, Phillip; ...

2015-12-23

This study presents a theoretical uncertainty quantification of displacement measurements by subset-based 2D-digital image correlation. A generalized solution to estimate the random error of displacement measurement is presented. The obtained solution suggests that the random error of displacement measurements is determined by the image noise, the summation of the intensity gradient in a subset, the subpixel part of displacement, and the interpolation scheme. The proposed method is validated with virtual digital image correlation tests.

Error Analysis of Indirect Broadband Monitoring of Multilayer Optical Coatings using Computer Simulations

NASA Astrophysics Data System (ADS)

Semenov, Z. V.; Labusov, V. A.

2017-11-01

Results of studying the errors of indirect monitoring by means of computer simulations are reported. The monitoring method is based on measuring spectra of reflection from additional monitoring substrates in a wide spectral range. Special software (Deposition Control Simulator) is developed, which allows one to estimate the influence of the monitoring system parameters (noise of the photodetector array, operating spectral range of the spectrometer and errors of its calibration in terms of wavelengths, drift of the radiation source intensity, and errors in the refractive index of deposited materials) on the random and systematic errors of deposited layer thickness measurements. The direct and inverse problems of multilayer coatings are solved using the OptiReOpt library. Curves of the random and systematic errors of measurements of the deposited layer thickness as functions of the layer thickness are presented for various values of the system parameters. Recommendations are given on using the indirect monitoring method for the purpose of reducing the layer thickness measurement error.

Error analysis and algorithm implementation for an improved optical-electric tracking device based on MEMS

NASA Astrophysics Data System (ADS)

Sun, Hong; Wu, Qian-zhong

2013-09-01

In order to improve the precision of optical-electric tracking device, proposing a kind of improved optical-electric tracking device based on MEMS, in allusion to the tracking error of gyroscope senor and the random drift, According to the principles of time series analysis of random sequence, establish AR model of gyro random error based on Kalman filter algorithm, then the output signals of gyro are multiple filtered with Kalman filter. And use ARM as micro controller servo motor is controlled by fuzzy PID full closed loop control algorithm, and add advanced correction and feed-forward links to improve response lag of angle input, Free-forward can make output perfectly follow input. The function of lead compensation link is to shorten the response of input signals, so as to reduce errors. Use the wireless video monitor module and remote monitoring software (Visual Basic 6.0) to monitor servo motor state in real time, the video monitor module gathers video signals, and the wireless video module will sent these signals to upper computer, so that show the motor running state in the window of Visual Basic 6.0. At the same time, take a detailed analysis to the main error source. Through the quantitative analysis of the errors from bandwidth and gyro sensor, it makes the proportion of each error in the whole error more intuitive, consequently, decrease the error of the system. Through the simulation and experiment results shows the system has good following characteristic, and it is very valuable for engineering application.

Non-linear non-local molecular electrodynamics with nano-optical fields.

PubMed

Chernyak, Vladimir Y; Saurabh, Prasoon; Mukamel, Shaul

2015-10-28

The interaction of optical fields sculpted on the nano-scale with matter may not be described by the dipole approximation since the fields may vary appreciably across the molecular length scale. Rather than incrementally adding higher multipoles, it is advantageous and more physically transparent to describe the optical process using non-local response functions that intrinsically include all multipoles. We present a semi-classical approach for calculating non-local response functions based on the minimal coupling Hamiltonian. The first, second, and third order response functions are expressed in terms of correlation functions of the charge and the current densities. This approach is based on the gauge invariant current rather than the polarization, and on the vector potential rather than the electric and magnetic fields.

Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

1992-01-01

The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

Planar Multipol-Resonance-Probe: A Spectral Kinetic Approach

NASA Astrophysics Data System (ADS)

Friedrichs, Michael; Gong, Junbo; Brinkmann, Ralf Peter; Oberrath, Jens; Wilczek, Sebastian

2016-09-01

Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP (pMRP). Introducing the spectral kinetic formalism leads to a reduced simulation-circle compared to particle-in-cell simulations. The model of the pMRP is implemented and first simulation results are presented.

Can cosmic shear shed light on low cosmic microwave background multipoles?

PubMed

Kesden, Michael; Kamionkowski, Marc; Cooray, Asantha

2003-11-28

The lowest multipole moments of the cosmic microwave background (CMB) are smaller than expected for a scale-invariant power spectrum. One possible explanation is a cutoff in the primordial power spectrum below a comoving scale of k(c) approximately equal to 5.0 x 10(-4) Mpc(-1). Such a cutoff would increase significantly the cross correlation between the large-angle CMB and cosmic-shear patterns. The cross correlation may be detectable at >2sigma which, combined with the low CMB moments, may tilt the balance between a 2sigma result and a firm detection of a large-scale power-spectrum cutoff. The cutoff also increases the large-angle cross correlation between the CMB and the low-redshift tracers of the mass distribution.

Error Sources in Asteroid Astrometry

NASA Technical Reports Server (NTRS)

Owen, William M., Jr.

2000-01-01

Asteroid astrometry, like any other scientific measurement process, is subject to both random and systematic errors, not all of which are under the observer's control. To design an astrometric observing program or to improve an existing one requires knowledge of the various sources of error, how different errors affect one's results, and how various errors may be minimized by careful observation or data reduction techniques.

Correcting the Standard Errors of 2-Stage Residual Inclusion Estimators for Mendelian Randomization Studies.

PubMed

Palmer, Tom M; Holmes, Michael V; Keating, Brendan J; Sheehan, Nuala A

2017-11-01

Mendelian randomization studies use genotypes as instrumental variables to test for and estimate the causal effects of modifiable risk factors on outcomes. Two-stage residual inclusion (TSRI) estimators have been used when researchers are willing to make parametric assumptions. However, researchers are currently reporting uncorrected or heteroscedasticity-robust standard errors for these estimates. We compared several different forms of the standard error for linear and logistic TSRI estimates in simulations and in real-data examples. Among others, we consider standard errors modified from the approach of Newey (1987), Terza (2016), and bootstrapping. In our simulations Newey, Terza, bootstrap, and corrected 2-stage least squares (in the linear case) standard errors gave the best results in terms of coverage and type I error. In the real-data examples, the Newey standard errors were 0.5% and 2% larger than the unadjusted standard errors for the linear and logistic TSRI estimators, respectively. We show that TSRI estimators with modified standard errors have correct type I error under the null. Researchers should report TSRI estimates with modified standard errors instead of reporting unadjusted or heteroscedasticity-robust standard errors. © The Author(s) 2017. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health.

The cross-correlation between 3D cosmic shear and the integrated Sachs-Wolfe effect

NASA Astrophysics Data System (ADS)

Zieser, Britta; Merkel, Philipp M.

2016-06-01

We present the first calculation of the cross-correlation between 3D cosmic shear and the integrated Sachs-Wolfe (iSW) effect. Both signals are combined in a single formalism, which permits the computation of the full covariance matrix. In order to avoid the uncertainties presented by the non-linear evolution of the matter power spectrum and intrinsic alignments of galaxies, our analysis is restricted to large scales, I.e. multipoles below ℓ = 1000. We demonstrate in a Fisher analysis that this reduction compared to other studies of 3D weak lensing extending to smaller scales is compensated by the information that is gained if the additional iSW signal and in particular its cross-correlation with lensing data are considered. Given the observational standards of upcoming weak-lensing surveys like Euclid, marginal errors on cosmological parameters decrease by 10 per cent compared to a cosmic shear experiment if both types of information are combined without a cosmic wave background (CMB) prior. Once the constraining power of CMB data is added, the improvement becomes marginal.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de; Lilienfeld, O. Anatole von

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlightmore » the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R{sup 6} correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.« less

Projector Augmented Wave formulation of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Xu, Xiao; Holzwarth, N. A. W.

2012-02-01

The use of orbital-dependent exchange-correlation functionals within electronic structure calculations has recently received renewed attention for improving the accuracy of the calculations, especially correcting self-interaction errors. Since the Projector Augmented Wave (PAW) methodootnotetext P. Bl"ochl, Phys. Rev. B 50, 17953 (1994). is an efficient pseudopotential-like scheme which ensures accurate evaluation of all multipole moments of direct and exchange Coulomb integrals, it is a natural choice for implementing orbital-dependent formalisms. Using Fock exchange as an example of an orbital-dependent functional, we developed the formulation and numerical implementation of the approximate optimized effective potential formalism of Kreiger, Li, and Iafrate (KLI)ootnotetext J. B. Krieger, Y. Li, and G. J. Iafrate Phys. Rev. A 45, 101 (1992). within the PAW method, comparing results with the analogous Hartree-Fock treatment.ootnotetext Xiao Xu and N. A. W. Holzwarth, Phys. Rev. B 81, 245105 (2010); 84, 155113 (2011). Test results are presented for ground state properties of two well-known materials -- diamond and LiF. This formalism can be extended to treat orbital-dependent functionals more generally.

Two-Season Atacama Cosmology Telescope Polarimeter Lensing Power Spectrum

NASA Technical Reports Server (NTRS)

Shewin, Blake D.; van Engelen, Alexander; Sehgal, Neelima; Madhavacheril, Mathew; Addison, Graeme E.; Aiola, Simone; Allison, Rupert; Battaglia, Nicholas; Becker, Daniel T.; Beall, James A.;

Two-season Atacama Cosmology Telescope polarimeter lensing power spectrum

NASA Astrophysics Data System (ADS)

Sherwin, Blake D.; van Engelen, Alexander; Sehgal, Neelima; Madhavacheril, Mathew; Addison, Graeme E.; Aiola, Simone; Allison, Rupert; Battaglia, Nicholas; Becker, Daniel T.; Beall, James A.; Bond, J. Richard; Calabrese, Erminia; Datta, Rahul; Devlin, Mark J.; Dünner, Rolando; Dunkley, Joanna; Fox, Anna E.; Gallardo, Patricio; Halpern, Mark; Hasselfield, Matthew; Henderson, Shawn; Hill, J. Colin; Hilton, Gene C.; Hubmayr, Johannes; Hughes, John P.; Hincks, Adam D.; Hlozek, Renée; Huffenberger, Kevin M.; Koopman, Brian; Kosowsky, Arthur; Louis, Thibaut; Maurin, Loïc; McMahon, Jeff; Moodley, Kavilan; Naess, Sigurd; Nati, Federico; Newburgh, Laura; Niemack, Michael D.; Page, Lyman A.; Sievers, Jonathan; Spergel, David N.; Staggs, Suzanne T.; Thornton, Robert J.; Van Lanen, Jeff; Vavagiakis, Eve; Wollack, Edward J.

2017-06-01

We report a measurement of the power spectrum of cosmic microwave background (CMB) lensing from two seasons of Atacama Cosmology Telescope polarimeter (ACTPol) CMB data. The CMB lensing power spectrum is extracted from both temperature and polarization data using quadratic estimators. We obtain results that are consistent with the expectation from the best-fit Planck Λ CDM model over a range of multipoles L =80 - 2100 , with an amplitude of lensing Alens=1.06 ±0.15 (stat )±0.06 (sys ) relative to Planck. Our measurement of the CMB lensing power spectrum gives σ8Ωm0.25=0.643 ±0.054 ; including baryon acoustic oscillation scale data, we constrain the amplitude of density fluctuations to be σ8=0.831 ±0.053 . We also update constraints on the neutrino mass sum. We verify our lensing measurement with a number of null tests and systematic checks, finding no evidence of significant systematic errors. This measurement relies on a small fraction of the ACTPol data already taken; more precise lensing results can therefore be expected from the full ACTPol data set.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems.

PubMed

Burow, Asbjörn M; Sierka, Marek; Mohamed, Fawzi

2009-12-07

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 muhartree per atom, for both molecular and periodic systems.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems

NASA Astrophysics Data System (ADS)

Burow, Asbjörn M.; Sierka, Marek; Mohamed, Fawzi

2009-12-01

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 μhartree per atom, for both molecular and periodic systems.

Black hole spectroscopy: Systematic errors and ringdown energy estimates

NASA Astrophysics Data System (ADS)

Baibhav, Vishal; Berti, Emanuele; Cardoso, Vitor; Khanna, Gaurav

2018-02-01

The relaxation of a distorted black hole to its final state provides important tests of general relativity within the reach of current and upcoming gravitational wave facilities. In black hole perturbation theory, this phase consists of a simple linear superposition of exponentially damped sinusoids (the quasinormal modes) and of a power-law tail. How many quasinormal modes are necessary to describe waveforms with a prescribed precision? What error do we incur by only including quasinormal modes, and not tails? What other systematic effects are present in current state-of-the-art numerical waveforms? These issues, which are basic to testing fundamental physics with distorted black holes, have hardly been addressed in the literature. We use numerical relativity waveforms and accurate evolutions within black hole perturbation theory to provide some answers. We show that (i) a determination of the fundamental l =m =2 quasinormal frequencies and damping times to within 1% or better requires the inclusion of at least the first overtone, and preferably of the first two or three overtones; (ii) a determination of the black hole mass and spin with precision better than 1% requires the inclusion of at least two quasinormal modes for any given angular harmonic mode (ℓ , m ). We also improve on previous estimates and fits for the ringdown energy radiated in the various multipoles. These results are important to quantify theoretical (as opposed to instrumental) limits in parameter estimation accuracy and tests of general relativity allowed by ringdown measurements with high signal-to-noise ratio gravitational wave detectors.

Health plan auditing: 100-percent-of-claims vs. random-sample audits.

PubMed

Sillup, George P; Klimberg, Ronald K

2011-01-01

The objective of this study was to examine the relative efficacy of two different methodologies for auditing self-funded medical claim expenses: 100-percent-of-claims auditing versus random-sampling auditing. Multiple data sets of claim errors or 'exceptions' from two Fortune-100 corporations were analysed and compared to 100 simulated audits of 300- and 400-claim random samples. Random-sample simulations failed to identify a significant number and amount of the errors that ranged from $200,000 to $750,000. These results suggest that health plan expenses of corporations could be significantly reduced if they audited 100% of claims and embraced a zero-defect approach.

Enhanced orbit determination filter sensitivity analysis: Error budget development

NASA Technical Reports Server (NTRS)

Estefan, J. A.; Burkhart, P. D.

1994-01-01

An error budget analysis is presented which quantifies the effects of different error sources in the orbit determination process when the enhanced orbit determination filter, recently developed, is used to reduce radio metric data. The enhanced filter strategy differs from more traditional filtering methods in that nearly all of the principal ground system calibration errors affecting the data are represented as filter parameters. Error budget computations were performed for a Mars Observer interplanetary cruise scenario for cases in which only X-band (8.4-GHz) Doppler data were used to determine the spacecraft's orbit, X-band ranging data were used exclusively, and a combined set in which the ranging data were used in addition to the Doppler data. In all three cases, the filter model was assumed to be a correct representation of the physical world. Random nongravitational accelerations were found to be the largest source of error contributing to the individual error budgets. Other significant contributors, depending on the data strategy used, were solar-radiation pressure coefficient uncertainty, random earth-orientation calibration errors, and Deep Space Network (DSN) station location uncertainty.

Does Mckuer's Law Hold for Heart Rate Control via Biofeedback Display?

NASA Technical Reports Server (NTRS)

Courter, B. J.; Jex, H. R.

1984-01-01

Some persons can control their pulse rate with the aid of a biofeedback display. If the biofeedback display is modified to show the error between a command pulse-rate and the measured rate, a compensatory (error correcting) heart rate tracking control loop can be created. The dynamic response characteristics of this control loop when subjected to step and quasi-random disturbances were measured. The control loop includes a beat-to-beat cardiotachmeter differenced with a forcing function from a quasi-random input generator; the resulting error pulse-rate is displayed as feedback. The subject acts to null the displayed pulse-rate error, thereby closing a compensatory control loop. McRuer's Law should hold for this case. A few subjects already skilled in voluntary pulse-rate control were tested for heart-rate control response. Control-law properties are derived, such as: crossover frequency, stability margins, and closed-loop bandwidth. These are evaluated for a range of forcing functions and for step as well as random disturbances.

Synthesis of hover autopilots for rotary-wing VTOL aircraft

NASA Technical Reports Server (NTRS)

Hall, W. E.; Bryson, A. E., Jr.

1972-01-01

The practical situation is considered where imperfect information on only a few rotor and fuselage state variables is available. Filters are designed to estimate all the state variables from noisy measurements of fuselage pitch/roll angles and from noisy measurements of both fuselage and rotor pitch/roll angles. The mean square response of the vehicle to a very gusty, random wind is computed using various filter/controllers and is found to be quite satisfactory although, of course, not so good as when one has perfect information (idealized case). The second part of the report considers precision hover over a point on the ground. A vehicle model without rotor dynamics is used and feedback signals in position and integral of position error are added. The mean square response of the vehicle to a very gusty, random wind is computed, assuming perfect information feedback, and is found to be excellent. The integral error feedback gives zero position error for a steady wind, and smaller position error for a random wind.

Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part I: Effects of Random Error

NASA Technical Reports Server (NTRS)

Duda, David P.; Minnis, Patrick

2009-01-01

Straightforward application of the Schmidt-Appleman contrail formation criteria to diagnose persistent contrail occurrence from numerical weather prediction data is hindered by significant bias errors in the upper tropospheric humidity. Logistic models of contrail occurrence have been proposed to overcome this problem, but basic questions remain about how random measurement error may affect their accuracy. A set of 5000 synthetic contrail observations is created to study the effects of random error in these probabilistic models. The simulated observations are based on distributions of temperature, humidity, and vertical velocity derived from Advanced Regional Prediction System (ARPS) weather analyses. The logistic models created from the simulated observations were evaluated using two common statistical measures of model accuracy, the percent correct (PC) and the Hanssen-Kuipers discriminant (HKD). To convert the probabilistic results of the logistic models into a dichotomous yes/no choice suitable for the statistical measures, two critical probability thresholds are considered. The HKD scores are higher when the climatological frequency of contrail occurrence is used as the critical threshold, while the PC scores are higher when the critical probability threshold is 0.5. For both thresholds, typical random errors in temperature, relative humidity, and vertical velocity are found to be small enough to allow for accurate logistic models of contrail occurrence. The accuracy of the models developed from synthetic data is over 85 percent for both the prediction of contrail occurrence and non-occurrence, although in practice, larger errors would be anticipated.

Selecting Statistical Quality Control Procedures for Limiting the Impact of Increases in Analytical Random Error on Patient Safety.

PubMed

Yago, Martín

2017-05-01

QC planning based on risk management concepts can reduce the probability of harming patients due to an undetected out-of-control error condition. It does this by selecting appropriate QC procedures to decrease the number of erroneous results reported. The selection can be easily made by using published nomograms for simple QC rules when the out-of-control condition results in increased systematic error. However, increases in random error also occur frequently and are difficult to detect, which can result in erroneously reported patient results. A statistical model was used to construct charts for the 1 ks and X /χ 2 rules. The charts relate the increase in the number of unacceptable patient results reported due to an increase in random error with the capability of the measurement procedure. They thus allow for QC planning based on the risk of patient harm due to the reporting of erroneous results. 1 ks Rules are simple, all-around rules. Their ability to deal with increases in within-run imprecision is minimally affected by the possible presence of significant, stable, between-run imprecision. X /χ 2 rules perform better when the number of controls analyzed during each QC event is increased to improve QC performance. Using nomograms simplifies the selection of statistical QC procedures to limit the number of erroneous patient results reported due to an increase in analytical random error. The selection largely depends on the presence or absence of stable between-run imprecision. © 2017 American Association for Clinical Chemistry.

Meta-analysis in evidence-based healthcare: a paradigm shift away from random effects is overdue.

PubMed

Doi, Suhail A R; Furuya-Kanamori, Luis; Thalib, Lukman; Barendregt, Jan J

2017-12-01

Each year up to 20 000 systematic reviews and meta-analyses are published whose results influence healthcare decisions, thus making the robustness and reliability of meta-analytic methods one of the world's top clinical and public health priorities. The evidence synthesis makes use of either fixed-effect or random-effects statistical methods. The fixed-effect method has largely been replaced by the random-effects method as heterogeneity of study effects led to poor error estimation. However, despite the widespread use and acceptance of the random-effects method to correct this, it too remains unsatisfactory and continues to suffer from defective error estimation, posing a serious threat to decision-making in evidence-based clinical and public health practice. We discuss here the problem with the random-effects approach and demonstrate that there exist better estimators under the fixed-effect model framework that can achieve optimal error estimation. We argue for an urgent return to the earlier framework with updates that address these problems and conclude that doing so can markedly improve the reliability of meta-analytical findings and thus decision-making in healthcare.

Eddy-covariance data with low signal-to-noise ratio: time-lag determination, uncertainties and limit of detection

NASA Astrophysics Data System (ADS)

Langford, B.; Acton, W.; Ammann, C.; Valach, A.; Nemitz, E.

2015-10-01

All eddy-covariance flux measurements are associated with random uncertainties which are a combination of sampling error due to natural variability in turbulence and sensor noise. The former is the principal error for systems where the signal-to-noise ratio of the analyser is high, as is usually the case when measuring fluxes of heat, CO2 or H2O. Where signal is limited, which is often the case for measurements of other trace gases and aerosols, instrument uncertainties dominate. Here, we are applying a consistent approach based on auto- and cross-covariance functions to quantify the total random flux error and the random error due to instrument noise separately. As with previous approaches, the random error quantification assumes that the time lag between wind and concentration measurement is known. However, if combined with commonly used automated methods that identify the individual time lag by looking for the maximum in the cross-covariance function of the two entities, analyser noise additionally leads to a systematic bias in the fluxes. Combining data sets from several analysers and using simulations, we show that the method of time-lag determination becomes increasingly important as the magnitude of the instrument error approaches that of the sampling error. The flux bias can be particularly significant for disjunct data, whereas using a prescribed time lag eliminates these effects (provided the time lag does not fluctuate unduly over time). We also demonstrate that when sampling at higher elevations, where low frequency turbulence dominates and covariance peaks are broader, both the probability and magnitude of bias are magnified. We show that the statistical significance of noisy flux data can be increased (limit of detection can be decreased) by appropriate averaging of individual fluxes, but only if systematic biases are avoided by using a prescribed time lag. Finally, we make recommendations for the analysis and reporting of data with low signal-to-noise and their associated errors.

Eddy-covariance data with low signal-to-noise ratio: time-lag determination, uncertainties and limit of detection

NASA Astrophysics Data System (ADS)

Langford, B.; Acton, W.; Ammann, C.; Valach, A.; Nemitz, E.

2015-03-01

All eddy-covariance flux measurements are associated with random uncertainties which are a combination of sampling error due to natural variability in turbulence and sensor noise. The former is the principal error for systems where the signal-to-noise ratio of the analyser is high, as is usually the case when measuring fluxes of heat, CO2 or H2O. Where signal is limited, which is often the case for measurements of other trace gases and aerosols, instrument uncertainties dominate. We are here applying a consistent approach based on auto- and cross-covariance functions to quantifying the total random flux error and the random error due to instrument noise separately. As with previous approaches, the random error quantification assumes that the time-lag between wind and concentration measurement is known. However, if combined with commonly used automated methods that identify the individual time-lag by looking for the maximum in the cross-covariance function of the two entities, analyser noise additionally leads to a systematic bias in the fluxes. Combining datasets from several analysers and using simulations we show that the method of time-lag determination becomes increasingly important as the magnitude of the instrument error approaches that of the sampling error. The flux bias can be particularly significant for disjunct data, whereas using a prescribed time-lag eliminates these effects (provided the time-lag does not fluctuate unduly over time). We also demonstrate that when sampling at higher elevations, where low frequency turbulence dominates and covariance peaks are broader, both the probability and magnitude of bias are magnified. We show that the statistical significance of noisy flux data can be increased (limit of detection can be decreased) by appropriate averaging of individual fluxes, but only if systematic biases are avoided by using a prescribed time-lag. Finally, we make recommendations for the analysis and reporting of data with low signal-to-noise and their associated errors.

ON NONSTATIONARY STOCHASTIC MODELS FOR EARTHQUAKES.

USGS Publications Warehouse

Safak, Erdal; Boore, David M.

1986-01-01

A seismological stochastic model for earthquake ground-motion description is presented. Seismological models are based on the physical properties of the source and the medium and have significant advantages over the widely used empirical models. The model discussed here provides a convenient form for estimating structural response by using random vibration theory. A commonly used random process for ground acceleration, filtered white-noise multiplied by an envelope function, introduces some errors in response calculations for structures whose periods are longer than the faulting duration. An alternate random process, filtered shot-noise process, eliminates these errors.

An inventory of bispectrum estimators for redshift space distortions

NASA Astrophysics Data System (ADS)

Regan, Donough

2017-12-01

In order to best improve constraints on cosmological parameters and on models of modified gravity using current and future galaxy surveys it is necessary maximally exploit the available data. As redshift-space distortions mean statistical translation invariance is broken for galaxy observations, this will require measurement of the monopole, quadrupole and hexadecapole of not just the galaxy power spectrum, but also the galaxy bispectrum. A recent (2015) paper by Scoccimarro demonstrated how the standard bispectrum estimator may be expressed in terms of Fast Fourier Transforms (FFTs) to afford an extremely efficient algorithm, allowing the bispectrum multipoles on all scales and triangle shapes to be measured in comparable time to those of the power spectrum. In this paper we present a suite of alternative proxies to measure the three-point correlation multipoles. In particular, we describe a modal (or plane wave) decomposition to capture the information in each multipole in a series of basis coefficients, and also describe three compressed estimators formed using the skew-spectrum, the line correlation function and the integrated bispectrum, respectively. As well as each of the estimators offering a different measurement channel, and thereby a robustness check, it is expected that some (especially the modal estimator) will offer a vast data compression, and so a much reduced covariance matrix. This compression may be vital to reduce the computational load involved in extracting the available three-point information.

Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state

NASA Astrophysics Data System (ADS)

Szmytkowski, Radosław; Łukasik, Grzegorz

2016-09-01

We present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range 1 ⩽ Z ⩽ 137. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities α E L → E L and magnetizabilities (magnetic susceptibilities) χ M L → M L with 1 ⩽ L ⩽ 4 (i.e., the dipole, quadrupole, octupole and hexadecapole ones), the electric-to-magnetic cross-susceptibilities α E L → M(L - 1) with 2 ⩽ L ⩽ 5 and α E L → M(L + 1) with 1 ⩽ L ⩽ 4, the magnetic-to-electric cross-susceptibilities χ M L → E(L - 1) with 2 ⩽ L ⩽ 5 and χ M L → E(L + 1) with 1 ⩽ L ⩽ 4 (it holds that χ M L → E(L ∓ 1) =α E(L ∓ 1) → M L), and the electric-to-toroidal-magnetic cross-susceptibilities α E L → T L with 1 ⩽ L ⩽ 4. Numerical values are computed from general exact analytical formulas, derived by us elsewhere within the framework of the Dirac relativistic quantum mechanics, and involving generalized hypergeometric functions 3F2 of the unit argument.

A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system.

PubMed

Wang, Han; Nakamura, Haruki; Fukuda, Ikuo

2016-03-21

We performed extensive and strict tests for the reliability of the zero-multipole (summation) method (ZMM), which is a method for estimating the electrostatic interactions among charged particles in a classical physical system, by investigating a set of various physical quantities. This set covers a broad range of water properties, including the thermodynamic properties (pressure, excess chemical potential, constant volume/pressure heat capacity, isothermal compressibility, and thermal expansion coefficient), dielectric properties (dielectric constant and Kirkwood-G factor), dynamical properties (diffusion constant and viscosity), and the structural property (radial distribution function). We selected a bulk water system, the most important solvent, and applied the widely used TIP3P model to this test. In result, the ZMM works well for almost all cases, compared with the smooth particle mesh Ewald (SPME) method that was carefully optimized. In particular, at cut-off radius of 1.2 nm, the recommended choices of ZMM parameters for the TIP3P system are α ≤ 1 nm(-1) for the splitting parameter and l = 2 or l = 3 for the order of the multipole moment. We discussed the origin of the deviations of the ZMM and found that they are intimately related to the deviations of the equilibrated densities between the ZMM and SPME, while the magnitude of the density deviations is very small.

Detection of cosmic microwave background structure in a second field with the Cosmic Anisotropy Telescope

NASA Astrophysics Data System (ADS)

Baker, Joanne C.; Grainge, Keith; Hobson, M. P.; Jones, Michael E.; Kneissl, R.; Lasenby, A. N.; O'Sullivan, C. M. M.; Pooley, Guy; Rocha, G.; Saunders, Richard; Scott, P. F.; Waldram, E. M.

1999-10-01

We describe observations at frequencies near 15GHz of the second 2x2deg^2 field imaged with the Cambridge Cosmic Anisotropy Telescope (CAT). After the removal of discrete radio sources, structure is detected in the images on characteristic scales of about half a degree, corresponding to spherical harmonic multipoles in the range l~330-680. A Bayesian analysis confirms that the signal arises predominantly from the cosmic microwave background (CMB) radiation for multipoles in the lower half of this range; the average broad-band power in a bin with centroid l=422 (θ~51arcmin) is estimated to be ΔTT 2.1-0.5+0.4 x10-5. For multipoles centred on l=615 (θ~35arcmin), we find contamination from Galactic emission is significant, and constrain the CMB contribution to the measured power in this bin to be ΔTT<2.0x10^-5 (1σ upper limit). These new results are consistent with the first detection made by CAT in a completely different area of sky. Together with data from other experiments, this new CAT detection adds weight to earlier evidence from CAT for a downturn in the CMB power spectrum on scales smaller than 1deg. Improved limits on the values of H0 and Ω are determined using the new CAT data.

Classification of echolocation clicks from odontocetes in the Southern California Bight.

PubMed

Roch, Marie A; Klinck, Holger; Baumann-Pickering, Simone; Mellinger, David K; Qui, Simon; Soldevilla, Melissa S; Hildebrand, John A

2011-01-01

This study presents a system for classifying echolocation clicks of six species of odontocetes in the Southern California Bight: Visually confirmed bottlenose dolphins, short- and long-beaked common dolphins, Pacific white-sided dolphins, Risso's dolphins, and presumed Cuvier's beaked whales. Echolocation clicks are represented by cepstral feature vectors that are classified by Gaussian mixture models. A randomized cross-validation experiment is designed to provide conditions similar to those found in a field-deployed system. To prevent matched conditions from inappropriately lowering the error rate, echolocation clicks associated with a single sighting are never split across the training and test data. Sightings are randomly permuted before assignment to folds in the experiment. This allows different combinations of the training and test data to be used while keeping data from each sighting entirely in the training or test set. The system achieves a mean error rate of 22% across 100 randomized three-fold cross-validation experiments. Four of the six species had mean error rates lower than the overall mean, with the presumed Cuvier's beaked whale clicks showing the best performance (<2% error rate). Long-beaked common and bottlenose dolphins proved the most difficult to classify, with mean error rates of 53% and 68%, respectively.

Effects of random tooth profile errors on the dynamic behaviors of planetary gears

NASA Astrophysics Data System (ADS)

Xun, Chao; Long, Xinhua; Hua, Hongxing

2018-02-01

In this paper, a nonlinear random model is built to describe the dynamics of planetary gear trains (PGTs), in which the time-varying mesh stiffness, tooth profile modification (TPM), tooth contact loss, and random tooth profile error are considered. A stochastic method based on the method of multiple scales (MMS) is extended to analyze the statistical property of the dynamic performance of PGTs. By the proposed multiple-scales based stochastic method, the distributions of the dynamic transmission errors (DTEs) are investigated, and the lower and upper bounds are determined based on the 3σ principle. Monte Carlo method is employed to verify the proposed method. Results indicate that the proposed method can be used to determine the distribution of the DTE of PGTs high efficiently and allow a link between the manufacturing precision and the dynamical response. In addition, the effects of tooth profile modification on the distributions of vibration amplitudes and the probability of tooth contact loss with different manufacturing tooth profile errors are studied. The results show that the manufacturing precision affects the distribution of dynamic transmission errors dramatically and appropriate TPMs are helpful to decrease the nominal value and the deviation of the vibration amplitudes.

A multi-site analysis of random error in tower-based measurements of carbon and energy fluxes

Treesearch

Andrew D. Richardson; David Y. Hollinger; George G. Burba; Kenneth J. Davis; Lawrence B. Flanagan; Gabriel G. Katul; J. William Munger; Daniel M. Ricciuto; Paul C. Stoy; Andrew E. Suyker; Shashi B. Verma; Steven C. Wofsy; Steven C. Wofsy

2006-01-01

Measured surface-atmosphere fluxes of energy (sensible heat, H, and latent heat, LE) and CO2 (FCO2) represent the ``true?? flux plus or minus potential random and systematic measurement errors. Here, we use data from seven sites in the AmeriFlux network, including five forested sites (two of which include ``tall tower?? instrumentation), one grassland site, and one...

Statistical error model for a solar electric propulsion thrust subsystem

NASA Technical Reports Server (NTRS)

Bantell, M. H.

1973-01-01

The solar electric propulsion thrust subsystem statistical error model was developed as a tool for investigating the effects of thrust subsystem parameter uncertainties on navigation accuracy. The model is currently being used to evaluate the impact of electric engine parameter uncertainties on navigation system performance for a baseline mission to Encke's Comet in the 1980s. The data given represent the next generation in statistical error modeling for low-thrust applications. Principal improvements include the representation of thrust uncertainties and random process modeling in terms of random parametric variations in the thrust vector process for a multi-engine configuration.

Far field beam pattern of one MW combined beam of laser diode array amplifiers for space power transmission

NASA Technical Reports Server (NTRS)

Kwon, Jin H.; Lee, Ja H.

1989-01-01

The far-field beam pattern and the power-collection efficiency are calculated for a multistage laser-diode-array amplifier consisting of about 200,000 5-W laser diode arrays with random distributions of phase and orientation errors and random diode failures. From the numerical calculation it is found that the far-field beam pattern is little affected by random failures of up to 20 percent of the laser diodes with reference of 80 percent receiving efficiency in the center spot. The random differences in phases among laser diodes due to probable manufacturing errors is allowed to about 0.2 times the wavelength. The maximum allowable orientation error is about 20 percent of the diffraction angle of a single laser diode aperture (about 1 cm). The preliminary results indicate that the amplifier could be used for space beam-power transmission with an efficiency of about 80 percent for a moderate-size (3-m-diameter) receiver placed at a distance of less than 50,000 km.

An Analysis of Computational Errors in the Use of Division Algorithms by Fourth-Grade Students.

ERIC Educational Resources Information Center

Stefanich, Greg P.; Rokusek, Teri

1992-01-01

Presents a study that analyzed errors made by randomly chosen fourth grade students (25 of 57) while using the division algorithm and investigated the effect of remediation on identified systematic errors. Results affirm that error pattern diagnosis and directed remediation lead to new learning and long-term retention. (MDH)

False Positives in Multiple Regression: Unanticipated Consequences of Measurement Error in the Predictor Variables

ERIC Educational Resources Information Center

Shear, Benjamin R.; Zumbo, Bruno D.

2013-01-01

Type I error rates in multiple regression, and hence the chance for false positive research findings, can be drastically inflated when multiple regression models are used to analyze data that contain random measurement error. This article shows the potential for inflated Type I error rates in commonly encountered scenarios and provides new…

Physical layer one-time-pad data encryption through synchronized semiconductor laser networks

NASA Astrophysics Data System (ADS)

Argyris, Apostolos; Pikasis, Evangelos; Syvridis, Dimitris

2016-02-01

Semiconductor lasers (SL) have been proven to be a key device in the generation of ultrafast true random bit streams. Their potential to emit chaotic signals under conditions with desirable statistics, establish them as a low cost solution to cover various needs, from large volume key generation to real-time encrypted communications. Usually, only undemanding post-processing is needed to convert the acquired analog timeseries to digital sequences that pass all established tests of randomness. A novel architecture that can generate and exploit these true random sequences is through a fiber network in which the nodes are semiconductor lasers that are coupled and synchronized to central hub laser. In this work we show experimentally that laser nodes in such a star network topology can synchronize with each other through complex broadband signals that are the seed to true random bit sequences (TRBS) generated at several Gb/s. The potential for each node to access real-time generated and synchronized with the rest of the nodes random bit streams, through the fiber optic network, allows to implement an one-time-pad encryption protocol that mixes the synchronized true random bit sequence with real data at Gb/s rates. Forward-error correction methods are used to reduce the errors in the TRBS and the final error rate at the data decoding level. An appropriate selection in the sampling methodology and properties, as well as in the physical properties of the chaotic seed signal through which network locks in synchronization, allows an error free performance.

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on γ p → π N multipoles

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Beck, R.; Döring, M.; Gottschall, M.; Hartmann, J.; Kashevarov, V.; Klempt, E.; Meißner, Ulf-G.; Nikonov, V.; Ostrick, M.; Rönchen, D.; Sarantsev, A.; Strakovsky, I.; Thiel, A.; Tiator, L.; Thoma, U.; Workman, R.; Wunderlich, Y.

2016-09-01

New data on pion-photoproduction off the proton have been included in the partial-wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Jülich-Bonn. All reproduce the recent new data well: the double-polarization data for E, G, H, P and T in γ p→ π0p from ELSA, the beam asymmetry Σ for γ p→ π0p and π+n from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data Σ for γ p→ π0p from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. The mutual agreement is improved considerably but still far from being perfect.

N* resonances from KΛ amplitudes in sliced bins in energy

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; Ireland, D. G.; Klempt, E.; Nikonov, V. A.; Omerović, R.; Sarantsev, A. V.; Stahov, J.; Švarc, A.; Thoma, U.

2017-12-01

The two reactions γ p→ K+Λ and π- p→ K0Λ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9 GeV with quantum numbers JP = 1/2+, 3/2+, 1/2-, 3/2-, 5/2-.

Cs 62 DJ Rydberg-atom macrodimers formed by long-range multipole interaction

NASA Astrophysics Data System (ADS)

Han, Xiaoxuan; Bai, Suying; Jiao, Yuechun; Hao, Liping; Xue, Yongmei; Zhao, Jianming; Jia, Suotang; Raithel, Georg

2018-03-01

Long-range macrodimers formed by D -state cesium Rydberg atoms are studied in experiments and calculations. Cesium [62DJ]2 Rydberg-atom macrodimers, bonded via long-range multipole interaction, are prepared by two-color photoassociation in a cesium atom trap. The first color (pulse A) resonantly excites seed Rydberg atoms, while the second (pulse B, detuned by the molecular binding energy) resonantly excites the Rydberg-atom macrodimers below the [62DJ]2 asymptotes. The molecules are measured by extraction of autoionization products and Rydberg-atom electric-field ionization, and ion detection. Molecular spectra are compared with calculations of adiabatic molecular potentials. From the dependence of the molecular signal on the detection delay time, the lifetime of the molecules is estimated to be 3 -6 μ s .

Oxidation of gallium arsenide in a plasma multipole device. Study of the MOS structures obtained

NASA Technical Reports Server (NTRS)

Gourrier, S.; Mircea, A.; Simondet, F.

1980-01-01

The oxygen plasma oxidation of GaAs was studied in order to obtain extremely high frequency responses with MOS devices. In the multipole system a homogeneous oxygen plasma of high density can easily be obtained in a large volume. This system is thus convenient for the study of plasma oxidation of GaAs. The electrical properties of the MOS diodes obtained in this way are controlled by interface states, located mostly in the upper half of the band gap where densities in the 10 to the 13th power/(sq cm) (eV) range can be estimated. Despite these interface states the possibility of fabricating MOSFET transistors working mostly in the depletion mode for a higher frequency cut-off still exists.

Final-state QED multipole radiation in antenna parton showers

NASA Astrophysics Data System (ADS)

Kleiss, Ronald; Verheyen, Rob

2017-11-01

We present a formalism for a fully coherent QED parton shower. The complete multipole structure of photonic radiation is incorporated in a single branching kernel. The regular on-shell 2 → 3 kinematic picture is kept intact by dividing the radiative phase space into sectors, allowing for a definition of the ordering variable that is similar to QCD antenna showers. A modified version of the Sudakov veto algorithm is discussed that increases performance at the cost of the introduction of weighted events. Due to the absence of a soft singularity, the formalism for photon splitting is very similar to the QCD analogon of gluon splitting. However, since no color structure is available to guide the selection of a spectator, a weighted selection procedure from all available spectators is introduced.

Symmetry breaking in linear multipole traps

NASA Astrophysics Data System (ADS)

Pedregosa-Gutierrez, J.; Champenois, C.; Kamsap, M. R.; Hagel, G.; Houssin, M.; Knoop, M.

2018-03-01

Radiofrequency multipole traps have been used for some decades in cold collision experiments and are gaining interest for precision spectroscopy due to their low micromotion contribution and the predicted unusual cold-ion structures. However, the experimental realisation is not yet fully controlled, and open questions in the operation of these devices remain. We present experimental observations of symmetry breaking of the trapping potential in a macroscopic octupole trap with laser-cooled ions. Numerical simulations have been performed in order to explain the appearance of additional local potential minima and be able to control them in a next step. We characterise these additional potential minima, in particular with respect to their position, their potential depth and their probability of population as a function of the radial and angular displacement of the trapping rods.

Prospects for Ultra-Stable Timekeeping with Sealed Vacuum Operation in Multi-Pole Linear Ion Trap Standards

NASA Technical Reports Server (NTRS)

Burt, Eric A.; Tjoelker, R. L.

2007-01-01

A recent long-term comparison between the compensated multi-pole Linear Ion Trap Standard (LITS) and the laser-cooled primary standards via GPS carrier phase time transfer showed a deviation of less than 2.7x10(exp -17)/day. A subsequent evaluation of potential drift contributors in the LITS showed that the leading candidates are fluctuations in background gases and the neon buffer gas. The current vacuum system employs a "flow-through" turbomolecular pump and a diaphragm fore pump. Here we consider the viability of a "sealed" vacuum system pumped by a non-evaporable getter for long-term ultra-stable clock operation. Initial tests suggests that both further stability improvement and longer mean-time-between-maintenance can be achieved using this approach

Optical Radiation from Integer Quantum Hall States in Dirac Materials

NASA Astrophysics Data System (ADS)

Gullans, Michael; Taylor, Jacob; Ghaemi, Pouyan; Hafezi, Mohammad

Quantum Hall systems exhibit topologically protected edge states, which can have a macroscopic spatial extent. Such edge states provide a unique opportunity to study a quantum emitter whose size far exceeds the wavelength of emitted light. To better understand this limit, we theoretically characterize the optical radiation from integer quantum Hall states in two-dimensional Dirac materials. We show that the scattered light from the bulk reflects the spatial profile of the wavefunctions, enabling spatial imaging of the disorder landscape. We find that the radiation from the edge states are characterized by the presence of large multipole moments in the far-field. This multipole radiation arises from the transfer of angular momentum from the electrons into the scattered light, enabling the generation of coherent light with high orbital angular momentum.

Generalization of the optical theorem for an arbitrary multipole in the presence of a transparent half-space

NASA Astrophysics Data System (ADS)

Eremin, Yu. A.; Sveshnikov, A. G.

2017-07-01

The optical theorem is generalized to the case of excitation of a local inhomogeneity introduced in a transparent substrate by a multipole of arbitrary order. It is shown that, to calculate the generalized extinction cross section, it is sufficient to calculate the derivatives of the scattered field at a single point by adding a constant and a definite integral. Apart from general scientific interest, the proposed generalization makes it possible to calculate the absorption cross section by subtracting the scattering cross section from the extinction cross section. The latter fact is important, because the scattered field in the far zone contains no Sommerfeld integrals. In addition, the proposed generalization allows one to test computer modules for the case where a lossless inhomogeneity is considered.

AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems

NASA Astrophysics Data System (ADS)

Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew

2010-06-01

A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretization scheme, a Krylov subspace iterative solver package with reverse communication protocols, and an adaptive new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related libraries and utility tools are available at http://lsec.cc.ac.cn/~lubz/afmpb.html and a mirror site at http://mccammon.ucsd.edu/. This paper is a brief summary of the program: the algorithms, the implementation and the usage. Program summaryProgram title: AFMPB: Adaptive fast multipole Poisson-Boltzmann solver Catalogue identifier: AEGB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 453 649 No. of bytes in distributed program, including test data, etc.: 8 764 754 Distribution format: tar.gz Programming language: Fortran Computer: Any Operating system: Any RAM: Depends on the size of the discretized biomolecular system Classification: 3 External routines: Pre- and post-processing tools are required for generating the boundary elements and for visualization. Users can use MSMS ( http://www.scripps.edu/~sanner/html/msms_home.html) for pre-processing, and VMD ( http://www.ks.uiuc.edu/Research/vmd/) for visualization. Sub-programs included: An iterative Krylov subspace solvers package from SPARSKIT by Yousef Saad ( http://www-users.cs.umn.edu/~saad/software/SPARSKIT/sparskit.html), and the fast multipole methods subroutines from FMMSuite ( http://www.fastmultipole.org/). Nature of problem: Numerical solution of the linearized Poisson-Boltzmann equation that describes electrostatic interactions of molecular systems in ionic solutions. Solution method: A novel node-patch scheme is used to discretize the well-conditioned boundary integral equation formulation of the linearized Poisson-Boltzmann equation. Various Krylov subspace solvers can be subsequently applied to solve the resulting linear system, with a bounded number of iterations independent of the number of discretized unknowns. The matrix-vector multiplication at each iteration is accelerated by the adaptive new versions of fast multipole methods. The AFMPB solver requires other stand-alone pre-processing tools for boundary mesh generation, post-processing tools for data analysis and visualization, and can be conveniently coupled with different time stepping methods for dynamics simulation. Restrictions: Only three or six significant digits options are provided in this version. Unusual features: Most of the codes are in Fortran77 style. Memory allocation functions from Fortran90 and above are used in a few subroutines. Additional comments: The current version of the codes is designed and written for single core/processor desktop machines. Check http://lsec.cc.ac.cn/~lubz/afmpb.html and http://mccammon.ucsd.edu/ for updates and changes. Running time: The running time varies with the number of discretized elements ( N) in the system and their distributions. In most cases, it scales linearly as a function of N.

A predictability study of Lorenz's 28-variable model as a dynamical system

NASA Technical Reports Server (NTRS)

Krishnamurthy, V.

1993-01-01

The dynamics of error growth in a two-layer nonlinear quasi-geostrophic model has been studied to gain an understanding of the mathematical theory of atmospheric predictability. The growth of random errors of varying initial magnitudes has been studied, and the relation between this classical approach and the concepts of the nonlinear dynamical systems theory has been explored. The local and global growths of random errors have been expressed partly in terms of the properties of an error ellipsoid and the Liapunov exponents determined by linear error dynamics. The local growth of small errors is initially governed by several modes of the evolving error ellipsoid but soon becomes dominated by the longest axis. The average global growth of small errors is exponential with a growth rate consistent with the largest Liapunov exponent. The duration of the exponential growth phase depends on the initial magnitude of the errors. The subsequent large errors undergo a nonlinear growth with a steadily decreasing growth rate and attain saturation that defines the limit of predictability. The degree of chaos and the largest Liapunov exponent show considerable variation with change in the forcing, which implies that the time variation in the external forcing can introduce variable character to the predictability.

Adjustment of Measurements with Multiplicative Errors: Error Analysis, Estimates of the Variance of Unit Weight, and Effect on Volume Estimation from LiDAR-Type Digital Elevation Models

PubMed Central

Shi, Yun; Xu, Peiliang; Peng, Junhuan; Shi, Chuang; Liu, Jingnan

2014-01-01

Modern observation technology has verified that measurement errors can be proportional to the true values of measurements such as GPS, VLBI baselines and LiDAR. Observational models of this type are called multiplicative error models. This paper is to extend the work of Xu and Shimada published in 2000 on multiplicative error models to analytical error analysis of quantities of practical interest and estimates of the variance of unit weight. We analytically derive the variance-covariance matrices of the three least squares (LS) adjustments, the adjusted measurements and the corrections of measurements in multiplicative error models. For quality evaluation, we construct five estimators for the variance of unit weight in association of the three LS adjustment methods. Although LiDAR measurements are contaminated with multiplicative random errors, LiDAR-based digital elevation models (DEM) have been constructed as if they were of additive random errors. We will simulate a model landslide, which is assumed to be surveyed with LiDAR, and investigate the effect of LiDAR-type multiplicative error measurements on DEM construction and its effect on the estimate of landslide mass volume from the constructed DEM. PMID:24434880

Liquid Medication Dosing Errors by Hispanic Parents: Role of Health Literacy and English Proficiency

PubMed Central

Harris, Leslie M.; Dreyer, Benard; Mendelsohn, Alan; Bailey, Stacy C.; Sanders, Lee M.; Wolf, Michael S.; Parker, Ruth M.; Patel, Deesha A.; Kim, Kwang Youn A.; Jimenez, Jessica J.; Jacobson, Kara; Smith, Michelle; Yin, H. Shonna

2016-01-01

Objective Hispanic parents in the US are disproportionately affected by low health literacy and limited English proficiency (LEP). We examined associations between health literacy, LEP, and liquid medication dosing errors in Hispanic parents. Methods Cross-sectional analysis of data from a multisite randomized controlled experiment to identify best practices for the labeling/dosing of pediatric liquid medications (SAFE Rx for Kids study); 3 urban pediatric clinics. Analyses were limited to Hispanic parents of children <8 years, with health literacy and LEP data (n=1126). Parents were randomized to 5 groups that varied by pairing of units of measurement on the label/dosing tool. Each parent measured 9 doses [3 amounts (2.5,5,7.5 mL) using 3 tools (2 syringes (0.2,0.5 mL increment), 1 cup)] in random order. Dependent variable: Dosing error=>20% dose deviation. Predictor variables: health literacy (Newest Vital Sign) [limited=0–3; adequate=4–6], LEP (speaks English less than “very well”). Results 83.1% made dosing errors (mean(SD) errors/parent=2.2(1.9)). Parents with limited health literacy and LEP had the greatest odds of making a dosing error compared to parents with adequate health literacy who were English proficient (% trials with errors/parent=28.8 vs. 12.9%; AOR=2.2[1.7–2.8]). Parents with limited health literacy who were English proficient were also more likely to make errors (% trials with errors/parent=18.8%; AOR=1.4[1.1–1.9]). Conclusion Dosing errors are common among Hispanic parents; those with both LEP and limited health literacy are at particular risk. Further study is needed to examine how the redesign of medication labels and dosing tools could reduce literacy and language-associated disparities in dosing errors. PMID:28477800

Low-energy nuclear spectroscopy in a microscopic multiphonon approach

NASA Astrophysics Data System (ADS)

Lo Iudice, N.; Ponomarev, V. Yu; Stoyanov, Ch; Sushkov, A. V.; Voronov, V. V.

2012-04-01

The low-lying spectra of heavy nuclei are investigated within the quasiparticle-phonon model. This microscopic approach goes beyond the quasiparticle random-phase approximation by treating a Hamiltonian of separable form in a microscopic multiphonon basis. It is therefore able to describe the anharmonic features of collective modes as well as the multiphonon states, whose experimental evidence is continuously growing. The method can be put in close correspondence with the proton-neutron interacting boson model. By associating the microscopic isoscalar and isovector quadrupole phonons with proton-neutron symmetric and mixed-symmetry quadrupole bosons, respectively, the microscopic states can be classified, just as in the algebraic model, according to their phonon content and their symmetry. In addition, these states disclose the nuclear properties which are to be ascribed to genuine shell effects, not included in the algebraic approach. Due to its flexibility, the method can be implemented numerically for systematic studies of spectroscopic properties throughout entire regions of vibrational nuclei. The spectra and multipole transition strengths so computed are in overall good agreement with the experimental data. By exploiting the correspondence of the method with the interacting boson model, it is possible to embed the microscopic states into this algebraic frame and, therefore, face the study of nuclei far from shell closures, not directly accessible to merely microscopic approaches. Here, it is shown how this task is accomplished through systematic investigations of magnetic dipole and, especially, electric dipole modes along paths moving from the vibrational to the transitional regions. The method is very well suited to the study of well-deformed nuclei. It provides reliable descriptions of low-lying magnetic as well as electric multipole modes of nuclei throughout the rare-earth and actinide regions. Attention is focused here on the low-lying 0+ states produced in large abundance in recent experiments. The analysis shows that the quasiparticle-phonon model accounts for the occurrence of so many 0+ levels and discloses their nature.

Combinatorial neural codes from a mathematical coding theory perspective.

PubMed

Curto, Carina; Itskov, Vladimir; Morrison, Katherine; Roth, Zachary; Walker, Judy L

2013-07-01

Shannon's seminal 1948 work gave rise to two distinct areas of research: information theory and mathematical coding theory. While information theory has had a strong influence on theoretical neuroscience, ideas from mathematical coding theory have received considerably less attention. Here we take a new look at combinatorial neural codes from a mathematical coding theory perspective, examining the error correction capabilities of familiar receptive field codes (RF codes). We find, perhaps surprisingly, that the high levels of redundancy present in these codes do not support accurate error correction, although the error-correcting performance of receptive field codes catches up to that of random comparison codes when a small tolerance to error is introduced. However, receptive field codes are good at reflecting distances between represented stimuli, while the random comparison codes are not. We suggest that a compromise in error-correcting capability may be a necessary price to pay for a neural code whose structure serves not only error correction, but must also reflect relationships between stimuli.

Effects of learning climate and registered nurse staffing on medication errors.

PubMed

Chang, Yunkyung; Mark, Barbara

2011-01-01

Despite increasing recognition of the significance of learning from errors, little is known about how learning climate contributes to error reduction. The purpose of this study was to investigate whether learning climate moderates the relationship between error-producing conditions and medication errors. A cross-sectional descriptive study was done using data from 279 nursing units in 146 randomly selected hospitals in the United States. Error-producing conditions included work environment factors (work dynamics and nurse mix), team factors (communication with physicians and nurses' expertise), personal factors (nurses' education and experience), patient factors (age, health status, and previous hospitalization), and medication-related support services. Poisson models with random effects were used with the nursing unit as the unit of analysis. A significant negative relationship was found between learning climate and medication errors. It also moderated the relationship between nurse mix and medication errors: When learning climate was negative, having more registered nurses was associated with fewer medication errors. However, no relationship was found between nurse mix and medication errors at either positive or average levels of learning climate. Learning climate did not moderate the relationship between work dynamics and medication errors. The way nurse mix affects medication errors depends on the level of learning climate. Nursing units with fewer registered nurses and frequent medication errors should examine their learning climate. Future research should be focused on the role of learning climate as related to the relationships between nurse mix and medication errors.

The (mis)reporting of statistical results in psychology journals.

PubMed

Bakker, Marjan; Wicherts, Jelte M

2011-09-01

In order to study the prevalence, nature (direction), and causes of reporting errors in psychology, we checked the consistency of reported test statistics, degrees of freedom, and p values in a random sample of high- and low-impact psychology journals. In a second study, we established the generality of reporting errors in a random sample of recent psychological articles. Our results, on the basis of 281 articles, indicate that around 18% of statistical results in the psychological literature are incorrectly reported. Inconsistencies were more common in low-impact journals than in high-impact journals. Moreover, around 15% of the articles contained at least one statistical conclusion that proved, upon recalculation, to be incorrect; that is, recalculation rendered the previously significant result insignificant, or vice versa. These errors were often in line with researchers' expectations. We classified the most common errors and contacted authors to shed light on the origins of the errors.

Random synaptic feedback weights support error backpropagation for deep learning

NASA Astrophysics Data System (ADS)

Lillicrap, Timothy P.; Cownden, Daniel; Tweed, Douglas B.; Akerman, Colin J.

2016-11-01

The brain processes information through multiple layers of neurons. This deep architecture is representationally powerful, but complicates learning because it is difficult to identify the responsible neurons when a mistake is made. In machine learning, the backpropagation algorithm assigns blame by multiplying error signals with all the synaptic weights on each neuron's axon and further downstream. However, this involves a precise, symmetric backward connectivity pattern, which is thought to be impossible in the brain. Here we demonstrate that this strong architectural constraint is not required for effective error propagation. We present a surprisingly simple mechanism that assigns blame by multiplying errors by even random synaptic weights. This mechanism can transmit teaching signals across multiple layers of neurons and performs as effectively as backpropagation on a variety of tasks. Our results help reopen questions about how the brain could use error signals and dispel long-held assumptions about algorithmic constraints on learning.

Random synaptic feedback weights support error backpropagation for deep learning

PubMed Central

Lillicrap, Timothy P.; Cownden, Daniel; Tweed, Douglas B.; Akerman, Colin J.

2016-01-01

The brain processes information through multiple layers of neurons. This deep architecture is representationally powerful, but complicates learning because it is difficult to identify the responsible neurons when a mistake is made. In machine learning, the backpropagation algorithm assigns blame by multiplying error signals with all the synaptic weights on each neuron's axon and further downstream. However, this involves a precise, symmetric backward connectivity pattern, which is thought to be impossible in the brain. Here we demonstrate that this strong architectural constraint is not required for effective error propagation. We present a surprisingly simple mechanism that assigns blame by multiplying errors by even random synaptic weights. This mechanism can transmit teaching signals across multiple layers of neurons and performs as effectively as backpropagation on a variety of tasks. Our results help reopen questions about how the brain could use error signals and dispel long-held assumptions about algorithmic constraints on learning. PMID:27824044

Pricing Employee Stock Options (ESOs) with Random Lattice

NASA Astrophysics Data System (ADS)

Chendra, E.; Chin, L.; Sukmana, A.

2018-04-01

Employee Stock Options (ESOs) are stock options granted by companies to their employees. Unlike standard options that can be traded by typical institutional or individual investors, employees cannot sell or transfer their ESOs to other investors. The sale restrictions may induce the ESO’s holder to exercise them earlier. In much cited paper, Hull and White propose a binomial lattice in valuing ESOs which assumes that employees will exercise voluntarily their ESOs if the stock price reaches a horizontal psychological barrier. Due to nonlinearity errors, the numerical pricing results oscillate significantly so they may lead to large pricing errors. In this paper, we use the random lattice method to price the Hull-White ESOs model. This method can reduce the nonlinearity error by aligning a layer of nodes of the random lattice with a psychological barrier.

The influence of random element displacement on DOA estimates obtained with (Khatri-Rao-)root-MUSIC.

PubMed

Inghelbrecht, Veronique; Verhaevert, Jo; van Hecke, Tanja; Rogier, Hendrik

2014-11-11

Although a wide range of direction of arrival (DOA) estimation algorithms has been described for a diverse range of array configurations, no specific stochastic analysis framework has been established to assess the probability density function of the error on DOA estimates due to random errors in the array geometry. Therefore, we propose a stochastic collocation method that relies on a generalized polynomial chaos expansion to connect the statistical distribution of random position errors to the resulting distribution of the DOA estimates. We apply this technique to the conventional root-MUSIC and the Khatri-Rao-root-MUSIC methods. According to Monte-Carlo simulations, this novel approach yields a speedup by a factor of more than 100 in terms of CPU-time for a one-dimensional case and by a factor of 56 for a two-dimensional case.

Electronic laboratory system reduces errors in National Tuberculosis Program: a cluster randomized controlled trial.

PubMed

Blaya, J A; Shin, S S; Yale, G; Suarez, C; Asencios, L; Contreras, C; Rodriguez, P; Kim, J; Cegielski, P; Fraser, H S F

2010-08-01

To evaluate the impact of the e-Chasqui laboratory information system in reducing reporting errors compared to the current paper system. Cluster randomized controlled trial in 76 health centers (HCs) between 2004 and 2008. Baseline data were collected every 4 months for 12 months. HCs were then randomly assigned to intervention (e-Chasqui) or control (paper). Further data were collected for the same months the following year. Comparisons were made between intervention and control HCs, and before and after the intervention. Intervention HCs had respectively 82% and 87% fewer errors in reporting results for drug susceptibility tests (2.1% vs. 11.9%, P = 0.001, OR 0.17, 95%CI 0.09-0.31) and cultures (2.0% vs. 15.1%, P < 0.001, OR 0.13, 95%CI 0.07-0.24), than control HCs. Preventing missing results through online viewing accounted for at least 72% of all errors. e-Chasqui users sent on average three electronic error reports per week to the laboratories. e-Chasqui reduced the number of missing laboratory results at point-of-care health centers. Clinical users confirmed viewing electronic results not available on paper. Reporting errors to the laboratory using e-Chasqui promoted continuous quality improvement. The e-Chasqui laboratory information system is an important part of laboratory infrastructure improvements to support multidrug-resistant tuberculosis care in Peru.

[Exploration of the concept of genetic drift in genetics teaching of undergraduates].

PubMed

Wang, Chun-ming

2016-01-01

Genetic drift is one of the difficulties in teaching genetics due to its randomness and probability which could easily cause conceptual misunderstanding. The “sampling error" in its definition is often misunderstood because of the research method of “sampling", which disturbs the results and causes the random changes in allele frequency. I analyzed and compared the definitions of genetic drift in domestic and international genetic textbooks, and found that the definitions containing “sampling error" are widely adopted but are interpreted correctly in only a few textbooks. Here, the history of research on genetic drift, i.e., the contributions of Wright, Fisher and Kimura, is introduced. Moreover, I particularly describe two representative articles recently published about genetic drift teaching of undergraduates, which point out that misconceptions are inevitable for undergraduates during the studying process and also provide a preliminary solution. Combined with my own teaching practice, I suggest that the definition of genetic drift containing “sampling error" can be adopted with further interpretation, i.e., “sampling error" is random sampling among gametes when generating the next generation of alleles which is equivalent to a random sampling of all gametes participating in mating in gamete pool and has no relationship with artificial sampling in general genetics studies. This article may provide some help in genetics teaching.

Effect of MLC leaf position, collimator rotation angle, and gantry rotation angle errors on intensity-modulated radiotherapy plans for nasopharyngeal carcinoma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Sen; Li, Guangjun; Wang, Maojie

The purpose of this study was to investigate the effect of multileaf collimator (MLC) leaf position, collimator rotation angle, and accelerator gantry rotation angle errors on intensity-modulated radiotherapy plans for nasopharyngeal carcinoma. To compare dosimetric differences between the simulating plans and the clinical plans with evaluation parameters, 6 patients with nasopharyngeal carcinoma were selected for simulation of systematic and random MLC leaf position errors, collimator rotation angle errors, and accelerator gantry rotation angle errors. There was a high sensitivity to dose distribution for systematic MLC leaf position errors in response to field size. When the systematic MLC position errors weremore » 0.5, 1, and 2 mm, respectively, the maximum values of the mean dose deviation, observed in parotid glands, were 4.63%, 8.69%, and 18.32%, respectively. The dosimetric effect was comparatively small for systematic MLC shift errors. For random MLC errors up to 2 mm and collimator and gantry rotation angle errors up to 0.5°, the dosimetric effect was negligible. We suggest that quality control be regularly conducted for MLC leaves, so as to ensure that systematic MLC leaf position errors are within 0.5 mm. Because the dosimetric effect of 0.5° collimator and gantry rotation angle errors is negligible, it can be concluded that setting a proper threshold for allowed errors of collimator and gantry rotation angle may increase treatment efficacy and reduce treatment time.« less

Combined Uncertainty and A-Posteriori Error Bound Estimates for General CFD Calculations: Theory and Software Implementation

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2014-01-01

This workshop presentation discusses the design and implementation of numerical methods for the quantification of statistical uncertainty, including a-posteriori error bounds, for output quantities computed using CFD methods. Hydrodynamic realizations often contain numerical error arising from finite-dimensional approximation (e.g. numerical methods using grids, basis functions, particles) and statistical uncertainty arising from incomplete information and/or statistical characterization of model parameters and random fields. The first task at hand is to derive formal error bounds for statistics given realizations containing finite-dimensional numerical error [1]. The error in computed output statistics contains contributions from both realization error and the error resulting from the calculation of statistics integrals using a numerical method. A second task is to devise computable a-posteriori error bounds by numerically approximating all terms arising in the error bound estimates. For the same reason that CFD calculations including error bounds but omitting uncertainty modeling are only of limited value, CFD calculations including uncertainty modeling but omitting error bounds are only of limited value. To gain maximum value from CFD calculations, a general software package for uncertainty quantification with quantified error bounds has been developed at NASA. The package provides implementations for a suite of numerical methods used in uncertainty quantification: Dense tensorization basis methods [3] and a subscale recovery variant [1] for non-smooth data, Sparse tensorization methods[2] utilizing node-nested hierarchies, Sampling methods[4] for high-dimensional random variable spaces.

Evaluation of Bayesian Sequential Proportion Estimation Using Analyst Labels

NASA Technical Reports Server (NTRS)

Lennington, R. K.; Abotteen, K. M. (Principal Investigator)

1980-01-01

The author has identified the following significant results. A total of ten Large Area Crop Inventory Experiment Phase 3 blind sites and analyst-interpreter labels were used in a study to compare proportional estimates obtained by the Bayes sequential procedure with estimates obtained from simple random sampling and from Procedure 1. The analyst error rate using the Bayes technique was shown to be no greater than that for the simple random sampling. Also, the segment proportion estimates produced using this technique had smaller bias and mean squared errors than the estimates produced using either simple random sampling or Procedure 1.

Lensing bias to CMB measurements of compensated isocurvature perturbations

NASA Astrophysics Data System (ADS)

Heinrich, Chen He; Grin, Daniel; Hu, Wayne

2016-08-01

Compensated isocurvature perturbations (CIPs) are modes in which the baryon and dark matter density fluctuations cancel. They arise in the curvaton scenario as well as some models of baryogenesis. While they leave no observable effects on the cosmic microwave background (CMB) at linear order, they do spatially modulate two-point CMB statistics and can be reconstructed in a manner similar to gravitational lensing. Due to the similarity between the effects of CMB lensing and CIPs, lensing contributes nearly Gaussian random noise to the CIP estimator that approximately doubles the reconstruction noise power. Additionally, the cross correlation between lensing and the integrated Sachs-Wolfe effect generates a correlation between the CIP estimator and the temperature field even in the absence of a correlated CIP signal. For cosmic-variance limited temperature measurements out to multipoles l ≤2500 , subtracting a fixed lensing bias degrades the detection threshold for CIPs by a factor of 1.3, whether or not they are correlated with the adiabatic mode.

Center of mass perception and inertial frames of reference.

PubMed

Bingham, G P; Muchisky, M M

1993-11-01

Center of mass perception was investigated by varying the shape, size, and orientation of planar objects. Shape was manipulated to investigate symmetries as information. The number of reflective symmetry axes, the amount of rotational symmetry, and the presence of radial symmetry were varied. Orientation affected systematic errors. Judgments tended to undershoot the center of mass. Random errors increased with size and decreased with symmetry. Size had no effect on random errors for maximally symmetric objects, although orientation did. The spatial distributions of judgments were elliptical. Distribution axes were found to align with the principle moments of inertia. Major axes tended to align with gravity in maximally symmetric objects. A functional and physical account was given in terms of the repercussions of error. Overall, judgments were very accurate.

Gene-targeted Random Mutagenesis to Select Heterochromatin-destabilizing Proteasome Mutants in Fission Yeast.

PubMed

Seo, Hogyu David; Lee, Daeyoup

2018-05-15

Random mutagenesis of a target gene is commonly used to identify mutations that yield the desired phenotype. Of the methods that may be used to achieve random mutagenesis, error-prone PCR is a convenient and efficient strategy for generating a diverse pool of mutants (i.e., a mutant library). Error-prone PCR is the method of choice when a researcher seeks to mutate a pre-defined region, such as the coding region of a gene while leaving other genomic regions unaffected. After the mutant library is amplified by error-prone PCR, it must be cloned into a suitable plasmid. The size of the library generated by error-prone PCR is constrained by the efficiency of the cloning step. However, in the fission yeast, Schizosaccharomyces pombe, the cloning step can be replaced by the use of a highly efficient one-step fusion PCR to generate constructs for transformation. Mutants of desired phenotypes may then be selected using appropriate reporters. Here, we describe this strategy in detail, taking as an example, a reporter inserted at centromeric heterochromatin.

Smooth empirical Bayes estimation of observation error variances in linear systems

NASA Technical Reports Server (NTRS)

Martz, H. F., Jr.; Lian, M. W.

1972-01-01

A smooth empirical Bayes estimator was developed for estimating the unknown random scale component of each of a set of observation error variances. It is shown that the estimator possesses a smaller average squared error loss than other estimators for a discrete time linear system.

Within-Tunnel Variations in Pressure Data for Three Transonic Wind Tunnels

NASA Technical Reports Server (NTRS)

DeLoach, Richard

2014-01-01

This paper compares the results of pressure measurements made on the same test article with the same test matrix in three transonic wind tunnels. A comparison is presented of the unexplained variance associated with polar replicates acquired in each tunnel. The impact of a significance component of systematic (not random) unexplained variance is reviewed, and the results of analyses of variance are presented to assess the degree of significant systematic error in these representative wind tunnel tests. Total uncertainty estimates are reported for 140 samples of pressure data, quantifying the effects of within-polar random errors and between-polar systematic bias errors.

The accuracy of the measurements in Ulugh Beg's star catalogue

NASA Astrophysics Data System (ADS)

Krisciunas, K.

1992-12-01

The star catalogue compiled by Ulugh Beg and his collaborators in Samarkand (ca. 1437) is the only catalogue primarily based on original observations between the times of Ptolemy and Tycho Brahe. Evans (1987) has given convincing evidence that Ulugh Beg's star catalogue was based on measurements made with a zodiacal armillary sphere graduated to 15(') , with interpolation to 0.2 units. He and Shevchenko (1990) were primarily interested in the systematic errors in ecliptic longitude. Shevchenko's analysis of the random errors was limited to the twelve zodiacal constellations. We have analyzed all 843 ecliptic longitudes and latitudes attributed to Ulugh Beg by Knobel (1917). This required multiplying all the longitude errors by the respective values of the cosine of the celestial latitudes. We find a random error of +/- 17minp 7 for ecliptic longitude and +/- 16minp 5 for ecliptic latitude. On the whole, the random errors are largest near the ecliptic, decreasing towards the ecliptic poles. For all of Ulugh Beg's measurements (excluding outliers) the mean systematic error is -10minp 8 +/- 0minp 8 for ecliptic longitude and 7minp 5 +/- 0minp 7 for ecliptic latitude, with the errors in the sense ``computed minus Ulugh Beg''. For the brighter stars (those designated alpha , beta , and gamma in the respective constellations), the mean systematic errors are -11minp 3 +/- 1minp 9 for ecliptic longitude and 9minp 4 +/- 1minp 5 for ecliptic latitude. Within the errors this matches the systematic error in both coordinates for alpha Vir. With greater confidence we may conclude that alpha Vir was the principal reference star in the catalogues of Ulugh Beg and Ptolemy. Evans, J. 1987, J. Hist. Astr. 18, 155. Knobel, E. B. 1917, Ulugh Beg's Catalogue of Stars, Washington, D. C.: Carnegie Institution. Shevchenko, M. 1990, J. Hist. Astr. 21, 187.

Estimation of genetic connectedness diagnostics based on prediction errors without the prediction error variance-covariance matrix.

PubMed

Holmes, John B; Dodds, Ken G; Lee, Michael A

2017-03-02

An important issue in genetic evaluation is the comparability of random effects (breeding values), particularly between pairs of animals in different contemporary groups. This is usually referred to as genetic connectedness. While various measures of connectedness have been proposed in the literature, there is general agreement that the most appropriate measure is some function of the prediction error variance-covariance matrix. However, obtaining the prediction error variance-covariance matrix is computationally demanding for large-scale genetic evaluations. Many alternative statistics have been proposed that avoid the computational cost of obtaining the prediction error variance-covariance matrix, such as counts of genetic links between contemporary groups, gene flow matrices, and functions of the variance-covariance matrix of estimated contemporary group fixed effects. In this paper, we show that a correction to the variance-covariance matrix of estimated contemporary group fixed effects will produce the exact prediction error variance-covariance matrix averaged by contemporary group for univariate models in the presence of single or multiple fixed effects and one random effect. We demonstrate the correction for a series of models and show that approximations to the prediction error matrix based solely on the variance-covariance matrix of estimated contemporary group fixed effects are inappropriate in certain circumstances. Our method allows for the calculation of a connectedness measure based on the prediction error variance-covariance matrix by calculating only the variance-covariance matrix of estimated fixed effects. Since the number of fixed effects in genetic evaluation is usually orders of magnitudes smaller than the number of random effect levels, the computational requirements for our method should be reduced.

Random access to mobile networks with advanced error correction

NASA Technical Reports Server (NTRS)

Dippold, Michael

1990-01-01

A random access scheme for unreliable data channels is investigated in conjunction with an adaptive Hybrid-II Automatic Repeat Request (ARQ) scheme using Rate Compatible Punctured Codes (RCPC) Forward Error Correction (FEC). A simple scheme with fixed frame length and equal slot sizes is chosen and reservation is implicit by the first packet transmitted randomly in a free slot, similar to Reservation Aloha. This allows the further transmission of redundancy if the last decoding attempt failed. Results show that a high channel utilization and superior throughput can be achieved with this scheme that shows a quite low implementation complexity. For the example of an interleaved Rayleigh channel and soft decision utilization and mean delay are calculated. A utilization of 40 percent may be achieved for a frame with the number of slots being equal to half the station number under high traffic load. The effects of feedback channel errors and some countermeasures are discussed.

Predicting the random drift of MEMS gyroscope based on K-means clustering and OLS RBF Neural Network

NASA Astrophysics Data System (ADS)

Wang, Zhen-yu; Zhang, Li-jie

2017-10-01

Measure error of the sensor can be effectively compensated with prediction. Aiming at large random drift error of MEMS(Micro Electro Mechanical System))gyroscope, an improved learning algorithm of Radial Basis Function(RBF) Neural Network(NN) based on K-means clustering and Orthogonal Least-Squares (OLS) is proposed in this paper. The algorithm selects the typical samples as the initial cluster centers of RBF NN firstly, candidates centers with K-means algorithm secondly, and optimizes the candidate centers with OLS algorithm thirdly, which makes the network structure simpler and makes the prediction performance better. Experimental results show that the proposed K-means clustering OLS learning algorithm can predict the random drift of MEMS gyroscope effectively, the prediction error of which is 9.8019e-007°/s and the prediction time of which is 2.4169e-006s

Quantifying Errors in TRMM-Based Multi-Sensor QPE Products Over Land in Preparation for GPM

NASA Technical Reports Server (NTRS)

Peters-Lidard, Christa D.; Tian, Yudong

2011-01-01

Determining uncertainties in satellite-based multi-sensor quantitative precipitation estimates over land of fundamental importance to both data producers and hydro climatological applications. ,Evaluating TRMM-era products also lays the groundwork and sets the direction for algorithm and applications development for future missions including GPM. QPE uncertainties result mostly from the interplay of systematic errors and random errors. In this work, we will synthesize our recent results quantifying the error characteristics of satellite-based precipitation estimates. Both systematic errors and total uncertainties have been analyzed for six different TRMM-era precipitation products (3B42, 3B42RT, CMORPH, PERSIANN, NRL and GSMap). For systematic errors, we devised an error decomposition scheme to separate errors in precipitation estimates into three independent components, hit biases, missed precipitation and false precipitation. This decomposition scheme reveals hydroclimatologically-relevant error features and provides a better link to the error sources than conventional analysis, because in the latter these error components tend to cancel one another when aggregated or averaged in space or time. For the random errors, we calculated the measurement spread from the ensemble of these six quasi-independent products, and thus produced a global map of measurement uncertainties. The map yields a global view of the error characteristics and their regional and seasonal variations, reveals many undocumented error features over areas with no validation data available, and provides better guidance to global assimilation of satellite-based precipitation data. Insights gained from these results and how they could help with GPM will be highlighted.

Sloppy-slotted ALOHA

NASA Technical Reports Server (NTRS)

Crozier, Stewart N.

1990-01-01

Random access signaling, which allows slotted packets to spill over into adjacent slots, is investigated. It is shown that sloppy-slotted ALOHA can always provide higher throughput than conventional slotted ALOHA. The degree of improvement depends on the timing error distribution. Throughput performance is presented for Gaussian timing error distributions, modified to include timing error corrections. A general channel capacity lower bound, independent of the specific timing error distribution, is also presented.

A general method for the definition of margin recipes depending on the treatment technique applied in helical tomotherapy prostate plans.

PubMed

Sevillano, David; Mínguez, Cristina; Sánchez, Alicia; Sánchez-Reyes, Alberto

2016-01-01

To obtain specific margin recipes that take into account the dosimetric characteristics of the treatment plans used in a single institution. We obtained dose-population histograms (DPHs) of 20 helical tomotherapy treatment plans for prostate cancer by simulating the effects of different systematic errors (Σ) and random errors (σ) on these plans. We obtained dosimetric margins and margin reductions due to random errors (random margins) by fitting the theoretical results of coverages for Gaussian distributions with coverages of the planned D99% obtained from the DPHs. The dosimetric margins obtained for helical tomotherapy prostate treatments were 3.3 mm, 3 mm, and 1 mm in the lateral (Lat), anterior-posterior (AP), and superior-inferior (SI) directions. Random margins showed parabolic dependencies, yielding expressions of 0.16σ(2), 0.13σ(2), and 0.15σ(2) for the Lat, AP, and SI directions, respectively. When focusing on values up to σ = 5 mm, random margins could be fitted considering Gaussian penumbras with standard deviations (σp) equal to 4.5 mm Lat, 6 mm AP, and 5.5 mm SI. Despite complex dose distributions in helical tomotherapy treatment plans, we were able to simplify the behaviour of our plans against treatment errors to single values of dosimetric and random margins for each direction. These margins allowed us to develop specific margin recipes for the respective treatment technique. The method is general and could be used for any treatment technique provided that DPHs can be obtained. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Model studies of the beam-filling error for rain-rate retrieval with microwave radiometers

NASA Technical Reports Server (NTRS)

Ha, Eunho; North, Gerald R.

1995-01-01

Low-frequency (less than 20 GHz) single-channel microwave retrievals of rain rate encounter the problem of beam-filling error. This error stems from the fact that the relationship between microwave brightness temperature and rain rate is nonlinear, coupled with the fact that the field of view is large or comparable to important scales of variability of the rain field. This means that one may not simply insert the area average of the brightness temperature into the formula for rain rate without incurring both bias and random error. The statistical heterogeneity of the rain-rate field in the footprint of the instrument is key to determining the nature of these errors. This paper makes use of a series of random rain-rate fields to study the size of the bias and random error associated with beam filling. A number of examples are analyzed in detail: the binomially distributed field, the gamma, the Gaussian, the mixed gamma, the lognormal, and the mixed lognormal ('mixed' here means there is a finite probability of no rain rate at a point of space-time). Of particular interest are the applicability of a simple error formula due to Chiu and collaborators and a formula that might hold in the large field of view limit. It is found that the simple formula holds for Gaussian rain-rate fields but begins to fail for highly skewed fields such as the mixed lognormal. While not conclusively demonstrated here, it is suggested that the notionof climatologically adjusting the retrievals to remove the beam-filling bias is a reasonable proposition.

Technical Note: Millimeter precision in ultrasound based patient positioning: Experimental quantification of inherent technical limitations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ballhausen, Hendrik, E-mail: hendrik.ballhausen@med.uni-muenchen.de; Hieber, Sheila; Li, Minglun

2014-08-15

Purpose: To identify the relevant technical sources of error of a system based on three-dimensional ultrasound (3D US) for patient positioning in external beam radiotherapy. To quantify these sources of error in a controlled laboratory setting. To estimate the resulting end-to-end geometric precision of the intramodality protocol. Methods: Two identical free-hand 3D US systems at both the planning-CT and the treatment room were calibrated to the laboratory frame of reference. Every step of the calibration chain was repeated multiple times to estimate its contribution to overall systematic and random error. Optimal margins were computed given the identified and quantified systematicmore » and random errors. Results: In descending order of magnitude, the identified and quantified sources of error were: alignment of calibration phantom to laser marks 0.78 mm, alignment of lasers in treatment vs planning room 0.51 mm, calibration and tracking of 3D US probe 0.49 mm, alignment of stereoscopic infrared camera to calibration phantom 0.03 mm. Under ideal laboratory conditions, these errors are expected to limit ultrasound-based positioning to an accuracy of 1.05 mm radially. Conclusions: The investigated 3D ultrasound system achieves an intramodal accuracy of about 1 mm radially in a controlled laboratory setting. The identified systematic and random errors require an optimal clinical tumor volume to planning target volume margin of about 3 mm. These inherent technical limitations do not prevent clinical use, including hypofractionation or stereotactic body radiation therapy.« less

Discrepancy-based error estimates for Quasi-Monte Carlo III. Error distributions and central limits

NASA Astrophysics Data System (ADS)

Hoogland, Jiri; Kleiss, Ronald

1997-04-01

In Quasi-Monte Carlo integration, the integration error is believed to be generally smaller than in classical Monte Carlo with the same number of integration points. Using an appropriate definition of an ensemble of quasi-random point sets, we derive various results on the probability distribution of the integration error, which can be compared to the standard Central Limit Theorem for normal stochastic sampling. In many cases, a Gaussian error distribution is obtained.

LINEAR AND NONLINEAR CORRECTIONS IN THE RHIC INTERACTION REGIONS.

DOE Office of Scientific and Technical Information (OSTI.GOV)

PILAT,F.; CAMERON,P.; PTITSYN,V.

2002-06-02

A method has been developed to measure operationally the linear and non-linear effects of the interaction region triplets, that gives access to the multipole content through the action kick, by applying closed orbit bumps and analysing tune and orbit shifts. This technique has been extensively tested and used during the RHIC operations in 2001. Measurements were taken at 3 different interaction regions and for different focusing at the interaction point. Non-linear effects up to the dodecapole have been measured as well as the effects of linear, sextupolar and octupolar corrections. An analysis package for the data processing has been developedmore » that through a precise fit of the experimental tune shift data (measured by a phase lock loop technique to better than 10{sup -5} resolution) determines the multipole content of an IR triplet.« less

Parallel fast multipole boundary element method applied to computational homogenization

NASA Astrophysics Data System (ADS)

Ptaszny, Jacek

2018-01-01

In the present work, a fast multipole boundary element method (FMBEM) and a parallel computer code for 3D elasticity problem is developed and applied to the computational homogenization of a solid containing spherical voids. The system of equation is solved by using the GMRES iterative solver. The boundary of the body is dicretized by using the quadrilateral serendipity elements with an adaptive numerical integration. Operations related to a single GMRES iteration, performed by traversing the corresponding tree structure upwards and downwards, are parallelized by using the OpenMP standard. The assignment of tasks to threads is based on the assumption that the tree nodes at which the moment transformations are initialized can be partitioned into disjoint sets of equal or approximately equal size and assigned to the threads. The achieved speedup as a function of number of threads is examined.

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on $$\\gamma p \\rightarrow \\pi N$$ multipoles

DOE PAGES

Anisovich, A. V.; Beck, R.; Döring, M.; ...

2016-09-16

New data on pion-photoproduction off the proton have been included in the partial wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Julich-Bonn. All reproduce the recent new data well: the double polarization data for E, G, H, P and T inmore » $$\\gamma p \\to \\pi^0 p$$ from ELSA, the beam asymmetry $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ and $$\\pi^+ n$$ from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. Lastly, the mutual agreement is improved considerably but still far from being perfect.« less

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on $$\\gamma p \\rightarrow \\pi N$$ multipoles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anisovich, A. V.; Beck, R.; Döring, M.

New data on pion-photoproduction off the proton have been included in the partial wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Julich-Bonn. All reproduce the recent new data well: the double polarization data for E, G, H, P and T inmore » $$\\gamma p \\to \\pi^0 p$$ from ELSA, the beam asymmetry $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ and $$\\pi^+ n$$ from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. Lastly, the mutual agreement is improved considerably but still far from being perfect.« less

Effects on the CMB from compactification before inflation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kontou, Eleni-Alexandra; Blanco-Pillado, Jose J.; Hertzberg, Mark P.

2017-04-01

Many theories beyond the Standard Model include extra dimensions, though these have yet to be directly observed. In this work we consider the possibility of a compactification mechanism which both allows extra dimensions and is compatible with current observations. This compactification is predicted to leave a signature on the CMB by altering the amplitude of the low l multipoles, dependent on the amount of inflation. Recently discovered CMB anomalies at low multipoles may be evidence for this. In our model we assume the spacetime is the product of a four-dimensional spacetime and flat extra dimensions. Before the compactification, both themore » four-dimensional spacetime and the extra dimensions can either be expanding or contracting independently. Taking into account physical constraints, we explore the observational consequences and the plausibility of these different models.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Shamik; Kothari, Rahul; Jain, Pankaj

We propose a dipole modulation model for the Cosmic Microwave Background Radiation (CMBR) polarization field. We show that the model leads to correlations between l and l+1 multipoles, exactly as in the case of temperature. We obtain results for the case of TE, EE and BB correlations. An anisotropic or inhomogeneous model of primordial power spectrum which leads to such correlations in temperature field also predicts similar correlations in CMBR polarization. We analyze the CMBR temperature and polarization data in order to extract the signal of these correlation between l and l+1 multipoles. Our results for the case of temperaturemore » using the latest PLANCK data agree with those obtained by an earlier analysis. A detailed study of the correlation in the polarization data is not possible at present. Hence we restrict ourselves to a preliminary investigation in this case.« less

Threshold π 0 Photoproduction on Transverse Polarised Protons at MAMI

DOE PAGES

Schumann, S.

2015-09-14

Polarisation-dependent differential cross sections σ T associated with the target asymmetry T have been measured for the reaction γ p -→ p π 0 with transverse target polarisation from π 0 threshold up to photon energies of 190 MeV. Additionally, the data were obtained using a frozen-spin butanol target with the Crystal Ball / TAPS detector set-up and the Glasgow photon tagging system at the Mainz Microtron MAMI. Our results for σ T have been used in combination with our previous measurements of the unpolarised cross section σ 0 and the beam asymmetry Σ for a model-independent determination of Smore » and P wave multipoles in the π 0 threshold region, which includes for the first time a direct determination of the imaginary part of the E 0+ multipole.« less

Power Spectrum Analysis of Polarized Emission from the Canadian Galactic Plane Survey

NASA Astrophysics Data System (ADS)

Stutz, R. A.; Rosolowsky, E. W.; Kothes, R.; Landecker, T. L.

2014-05-01

Angular power spectra are calculated and presented for the entirety of the Canadian Galactic Plane Survey polarization data set at 1.4 GHz covering an area of 1060 deg2. The data analyzed are a combination of data from the 100 m Effelsberg Telescope, the 26 m Telescope at the Dominion Radio Astrophysical Observatory, and the Synthesis Telescope at the Dominion Radio Astrophysical Observatory, allowing all scales to be sampled down to arcminute resolution. The resulting power spectra cover multipoles from l ≈ 60 to l ≈ 104 and display both a power-law component at low multipoles and a flattening at high multipoles from point sources. We fit the power spectrum with a model that accounts for these components and instrumental effects. The resulting power-law indices are found to have a mode of 2.3, similar to previous results. However, there are significant regional variations in the index, defying attempts to characterize the emission with a single value. The power-law index is found to increase away from the Galactic plane. A transition from small-scale to large-scale structure is evident at b = 9°, associated with the disk-halo transition in a 15° region around l = 108°. Localized variations in the index are found toward H II regions and supernova remnants, but the interpretation of these variations is inconclusive. The power in the polarized emission is anticorrelated with bright thermal emission (traced by Hα emission) indicating that the thermal emission depolarizes background synchrotron emission.

Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salam, A., E-mail: salama@wfu.edu

2013-12-28

The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-orderedmore » diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.« less

Predicting K0Λ photoproduction observables by using the multipole approach

NASA Astrophysics Data System (ADS)

Mart, T.; Rusli, A.

2017-12-01

We present an isobar model for kaon photoproduction on the proton γ p\\to K^+Λ that can nicely reproduce the available experimental data from threshold up to W=2.0 GeV. The background amplitude of the model is constructed from a covariant Feynman diagrammatic method, whereas the resonance one is formulated by using the multipole approach. All unknown parameters in both background and resonance amplitudes are extracted by adjusting the calculated observables to experimental data. With the help of SU(3) isospin symmetry and some information obtained from the Particle Data Group we estimate the cross section and polarization observables for the neutral kaon photoproduction on the neutron γ n\\to K^0Λ. The result indicates no sharp peak in the K^0Λ total cross section. The predicted differential cross section exhibits resonance structures only at cosθ=-1. To obtain sizable observables the present work recommends measurement of the K^0Λ cross section with W≳ 1.70 GeV, whereas for the recoiled Λ polarization measurement with W≈ 1.65-1.90 GeV would be advised, since the predictions of existing models show a large variance at this kinematics. The predicted electric and magnetic multipoles are found to be mostly different from those obtained in previous works. For W=1.75 and 1.95 GeV it is found that most of the single and double polarization observables demonstrate large asymmetries.

Exploring the impact of forcing error characteristics on physically based snow simulations within a global sensitivity analysis framework

NASA Astrophysics Data System (ADS)

Raleigh, M. S.; Lundquist, J. D.; Clark, M. P.

2015-07-01

Physically based models provide insights into key hydrologic processes but are associated with uncertainties due to deficiencies in forcing data, model parameters, and model structure. Forcing uncertainty is enhanced in snow-affected catchments, where weather stations are scarce and prone to measurement errors, and meteorological variables exhibit high variability. Hence, there is limited understanding of how forcing error characteristics affect simulations of cold region hydrology and which error characteristics are most important. Here we employ global sensitivity analysis to explore how (1) different error types (i.e., bias, random errors), (2) different error probability distributions, and (3) different error magnitudes influence physically based simulations of four snow variables (snow water equivalent, ablation rates, snow disappearance, and sublimation). We use the Sobol' global sensitivity analysis, which is typically used for model parameters but adapted here for testing model sensitivity to coexisting errors in all forcings. We quantify the Utah Energy Balance model's sensitivity to forcing errors with 1 840 000 Monte Carlo simulations across four sites and five different scenarios. Model outputs were (1) consistently more sensitive to forcing biases than random errors, (2) generally less sensitive to forcing error distributions, and (3) critically sensitive to different forcings depending on the relative magnitude of errors. For typical error magnitudes found in areas with drifting snow, precipitation bias was the most important factor for snow water equivalent, ablation rates, and snow disappearance timing, but other forcings had a more dominant impact when precipitation uncertainty was due solely to gauge undercatch. Additionally, the relative importance of forcing errors depended on the model output of interest. Sensitivity analysis can reveal which forcing error characteristics matter most for hydrologic modeling.

Effect of Random Circuit Fabrication Errors on Small Signal Gain and Phase in Helix Traveling Wave Tubes

NASA Astrophysics Data System (ADS)

Pengvanich, P.; Chernin, D. P.; Lau, Y. Y.; Luginsland, J. W.; Gilgenbach, R. M.

2007-11-01

Motivated by the current interest in mm-wave and THz sources, which use miniature, difficult-to-fabricate circuit components, we evaluate the statistical effects of random fabrication errors on a helix traveling wave tube amplifier's small signal characteristics. The small signal theory is treated in a continuum model in which the electron beam is assumed to be monoenergetic, and axially symmetric about the helix axis. Perturbations that vary randomly along the beam axis are introduced in the dimensionless Pierce parameters b, the beam-wave velocity mismatch, C, the gain parameter, and d, the cold tube circuit loss. Our study shows, as expected, that perturbation in b dominates the other two. The extensive numerical data have been confirmed by our analytic theory. They show in particular that the standard deviation of the output phase is linearly proportional to standard deviation of the individual perturbations in b, C, and d. Simple formulas have been derived which yield the output phase variations in terms of the statistical random manufacturing errors. This work was supported by AFOSR and by ONR.

Accuracy of indirect estimation of power output from uphill performance in cycling.

PubMed

Millet, Grégoire P; Tronche, Cyrille; Grappe, Frédéric

2014-09-01

To use measurement by cycling power meters (Pmes) to evaluate the accuracy of commonly used models for estimating uphill cycling power (Pest). Experiments were designed to explore the influence of wind speed and steepness of climb on accuracy of Pest. The authors hypothesized that the random error in Pest would be largely influenced by the windy conditions, the bias would be diminished in steeper climbs, and windy conditions would induce larger bias in Pest. Sixteen well-trained cyclists performed 15 uphill-cycling trials (range: length 1.3-6.3 km, slope 4.4-10.7%) in a random order. Trials included different riding position in a group (lead or follow) and different wind speeds. Pmes was quantified using a power meter, and Pest was calculated with a methodology used by journalists reporting on the Tour de France. Overall, the difference between Pmes and Pest was -0.95% (95%CI: -10.4%, +8.5%) for all trials and 0.24% (-6.1%, +6.6%) in conditions without wind (<2 m/s). The relationship between percent slope and the error between Pest and Pmes were considered trivial. Aerodynamic drag (affected by wind velocity and orientation, frontal area, drafting, and speed) is the most confounding factor. The mean estimated values are close to the power-output values measured by power meters, but the random error is between ±6% and ±10%. Moreover, at the power outputs (>400 W) produced by professional riders, this error is likely to be higher. This observation calls into question the validity of releasing individual values without reporting the range of random errors.

On the error probability of general tree and trellis codes with applications to sequential decoding

NASA Technical Reports Server (NTRS)

Johannesson, R.

1973-01-01

An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random binary tree codes is derived and shown to be independent of the length of the tree. An upper bound on the average error probability for maximum-likelihood decoding of the ensemble of random L-branch binary trellis codes of rate R = 1/n is derived which separates the effects of the tail length T and the memory length M of the code. It is shown that the bound is independent of the length L of the information sequence. This implication is investigated by computer simulations of sequential decoding utilizing the stack algorithm. These simulations confirm the implication and further suggest an empirical formula for the true undetected decoding error probability with sequential decoding.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Proctor, Timothy; Rudinger, Kenneth; Young, Kevin

Randomized benchmarking (RB) is widely used to measure an error rate of a set of quantum gates, by performing random circuits that would do nothing if the gates were perfect. In the limit of no finite-sampling error, the exponential decay rate of the observable survival probabilities, versus circuit length, yields a single error metric r. For Clifford gates with arbitrary small errors described by process matrices, r was believed to reliably correspond to the mean, over all Clifford gates, of the average gate infidelity between the imperfect gates and their ideal counterparts. We show that this quantity is not amore » well-defined property of a physical gate set. It depends on the representations used for the imperfect and ideal gates, and the variant typically computed in the literature can differ from r by orders of magnitude. We present new theories of the RB decay that are accurate for all small errors describable by process matrices, and show that the RB decay curve is a simple exponential for all such errors. Here, these theories allow explicit computation of the error rate that RB measures (r), but as far as we can tell it does not correspond to the infidelity of a physically allowed (completely positive) representation of the imperfect gates.« less

Numerical Error Estimation with UQ

NASA Astrophysics Data System (ADS)

Ackmann, Jan; Korn, Peter; Marotzke, Jochem

2014-05-01

Ocean models are still in need of means to quantify model errors, which are inevitably made when running numerical experiments. The total model error can formally be decomposed into two parts, the formulation error and the discretization error. The formulation error arises from the continuous formulation of the model not fully describing the studied physical process. The discretization error arises from having to solve a discretized model instead of the continuously formulated model. Our work on error estimation is concerned with the discretization error. Given a solution of a discretized model, our general problem statement is to find a way to quantify the uncertainties due to discretization in physical quantities of interest (diagnostics), which are frequently used in Geophysical Fluid Dynamics. The approach we use to tackle this problem is called the "Goal Error Ensemble method". The basic idea of the Goal Error Ensemble method is that errors in diagnostics can be translated into a weighted sum of local model errors, which makes it conceptually based on the Dual Weighted Residual method from Computational Fluid Dynamics. In contrast to the Dual Weighted Residual method these local model errors are not considered deterministically but interpreted as local model uncertainty and described stochastically by a random process. The parameters for the random process are tuned with high-resolution near-initial model information. However, the original Goal Error Ensemble method, introduced in [1], was successfully evaluated only in the case of inviscid flows without lateral boundaries in a shallow-water framework and is hence only of limited use in a numerical ocean model. Our work consists in extending the method to bounded, viscous flows in a shallow-water framework. As our numerical model, we use the ICON-Shallow-Water model. In viscous flows our high-resolution information is dependent on the viscosity parameter, making our uncertainty measures viscosity-dependent. We will show that we can choose a sensible parameter by using the Reynolds-number as a criteria. Another topic, we will discuss is the choice of the underlying distribution of the random process. This is especially of importance in the scope of lateral boundaries. We will present resulting error estimates for different height- and velocity-based diagnostics applied to the Munk gyre experiment. References [1] F. RAUSER: Error Estimation in Geophysical Fluid Dynamics through Learning; PhD Thesis, IMPRS-ESM, Hamburg, 2010 [2] F. RAUSER, J. MAROTZKE, P. KORN: Ensemble-type numerical uncertainty quantification from single model integrations; SIAM/ASA Journal on Uncertainty Quantification, submitted

The detection of problem analytes in a single proficiency test challenge in the absence of the Health Care Financing Administration rule violations.

PubMed

Cembrowski, G S; Hackney, J R; Carey, N

1993-04-01

The Clinical Laboratory Improvement Act of 1988 (CLIA 88) has dramatically changed proficiency testing (PT) practices having mandated (1) satisfactory PT for certain analytes as a condition of laboratory operation, (2) fixed PT limits for many of these "regulated" analytes, and (3) an increased number of PT specimens (n = 5) for each testing cycle. For many of these analytes, the fixed limits are much broader than the previously employed Standard Deviation Index (SDI) criteria. Paradoxically, there may be less incentive to identify and evaluate analytically significant outliers to improve the analytical process. Previously described "control rules" to evaluate these PT results are unworkable as they consider only two or three results. We used Monte Carlo simulations of Kodak Ektachem analyzers participating in PT to determine optimal control rules for the identification of PT results that are inconsistent with those from other laboratories using the same methods. The analysis of three representative analytes, potassium, creatine kinase, and iron was simulated with varying intrainstrument and interinstrument standard deviations (si and sg, respectively) obtained from the College of American Pathologists (Northfield, Ill) Quality Assurance Services data and Proficiency Test data, respectively. Analytical errors were simulated in each of the analytes and evaluated in terms of multiples of the interlaboratory SDI. Simple control rules for detecting systematic and random error were evaluated with power function graphs, graphs of probability of error detected vs magnitude of error. Based on the simulation results, we recommend screening all analytes for the occurrence of two or more observations exceeding the same +/- 1 SDI limit. For any analyte satisfying this condition, the mean of the observations should be calculated. For analytes with sg/si ratios between 1.0 and 1.5, a significant systematic error is signaled by the mean exceeding 1.0 SDI. Significant random error is signaled by one observation exceeding the +/- 3-SDI limit or the range of the observations exceeding 4 SDIs. For analytes with higher sg/si, significant systematic or random error is signaled by violation of the screening rule (having at least two observations exceeding the same +/- 1 SDI limit). Random error can also be signaled by one observation exceeding the +/- 1.5-SDI limit or the range of the observations exceeding 3 SDIs. We present a practical approach to the workup of apparent PT errors.

An efficient algorithm for generating random number pairs drawn from a bivariate normal distribution

NASA Technical Reports Server (NTRS)

Campbell, C. W.

1983-01-01

An efficient algorithm for generating random number pairs from a bivariate normal distribution was developed. Any desired value of the two means, two standard deviations, and correlation coefficient can be selected. Theoretically the technique is exact and in practice its accuracy is limited only by the quality of the uniform distribution random number generator, inaccuracies in computer function evaluation, and arithmetic. A FORTRAN routine was written to check the algorithm and good accuracy was obtained. Some small errors in the correlation coefficient were observed to vary in a surprisingly regular manner. A simple model was developed which explained the qualities aspects of the errors.

The Applicability of Standard Error of Measurement and Minimal Detectable Change to Motor Learning Research-A Behavioral Study.

PubMed

Furlan, Leonardo; Sterr, Annette

2018-01-01

Motor learning studies face the challenge of differentiating between real changes in performance and random measurement error. While the traditional p -value-based analyses of difference (e.g., t -tests, ANOVAs) provide information on the statistical significance of a reported change in performance scores, they do not inform as to the likely cause or origin of that change, that is, the contribution of both real modifications in performance and random measurement error to the reported change. One way of differentiating between real change and random measurement error is through the utilization of the statistics of standard error of measurement (SEM) and minimal detectable change (MDC). SEM is estimated from the standard deviation of a sample of scores at baseline and a test-retest reliability index of the measurement instrument or test employed. MDC, in turn, is estimated from SEM and a degree of confidence, usually 95%. The MDC value might be regarded as the minimum amount of change that needs to be observed for it to be considered a real change, or a change to which the contribution of real modifications in performance is likely to be greater than that of random measurement error. A computer-based motor task was designed to illustrate the applicability of SEM and MDC to motor learning research. Two studies were conducted with healthy participants. Study 1 assessed the test-retest reliability of the task and Study 2 consisted in a typical motor learning study, where participants practiced the task for five consecutive days. In Study 2, the data were analyzed with a traditional p -value-based analysis of difference (ANOVA) and also with SEM and MDC. The findings showed good test-retest reliability for the task and that the p -value-based analysis alone identified statistically significant improvements in performance over time even when the observed changes could in fact have been smaller than the MDC and thereby caused mostly by random measurement error, as opposed to by learning. We suggest therefore that motor learning studies could complement their p -value-based analyses of difference with statistics such as SEM and MDC in order to inform as to the likely cause or origin of any reported changes in performance.

Positivity, discontinuity, finite resources, and nonzero error for arbitrarily varying quantum channels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boche, H., E-mail: boche@tum.de, E-mail: janis.noetzel@tum.de; Nötzel, J., E-mail: boche@tum.de, E-mail: janis.noetzel@tum.de

2014-12-15

This work is motivated by a quite general question: Under which circumstances are the capacities of information transmission systems continuous? The research is explicitly carried out on finite arbitrarily varying quantum channels (AVQCs). We give an explicit example that answers the recent question whether the transmission of messages over AVQCs can benefit from assistance by distribution of randomness between the legitimate sender and receiver in the affirmative. The specific class of channels introduced in that example is then extended to show that the unassisted capacity does have discontinuity points, while it is known that the randomness-assisted capacity is always continuousmore » in the channel. We characterize the discontinuity points and prove that the unassisted capacity is always continuous around its positivity points. After having established shared randomness as an important resource, we quantify the interplay between the distribution of finite amounts of randomness between the legitimate sender and receiver, the (nonzero) probability of a decoding error with respect to the average error criterion and the number of messages that can be sent over a finite number of channel uses. We relate our results to the entanglement transmission capacities of finite AVQCs, where the role of shared randomness is not yet well understood, and give a new sufficient criterion for the entanglement transmission capacity with randomness assistance to vanish.« less

Noise in two-color electronic distance meter measurements revisited

USGS Publications Warehouse

Langbein, J.

2004-01-01

Frequent, high-precision geodetic data have temporally correlated errors. Temporal correlations directly affect both the estimate of rate and its standard error; the rate of deformation is a key product from geodetic measurements made in tectonically active areas. Various models of temporally correlated errors are developed and these provide relations between the power spectral density and the data covariance matrix. These relations are applied to two-color electronic distance meter (EDM) measurements made frequently in California over the past 15-20 years. Previous analysis indicated that these data have significant random walk error. Analysis using the noise models developed here indicates that the random walk model is valid for about 30% of the data. A second 30% of the data can be better modeled with power law noise with a spectral index between 1 and 2, while another 30% of the data can be modeled with a combination of band-pass-filtered plus random walk noise. The remaining 10% of the data can be best modeled as a combination of band-pass-filtered plus power law noise. This band-pass-filtered noise is a product of an annual cycle that leaks into adjacent frequency bands. For time spans of more than 1 year these more complex noise models indicate that the precision in rate estimates is better than that inferred by just the simpler, random walk model of noise.

Helical tomotherapy setup variations in canine nasal tumor patients immobilized with a bite block.

PubMed

Kubicek, Lyndsay N; Seo, Songwon; Chappell, Richard J; Jeraj, Robert; Forrest, Lisa J

2012-01-01

The purpose of our study was to compare setup variation in four degrees of freedom (vertical, longitudinal, lateral, and roll) between canine nasal tumor patients immobilized with a mattress and bite block, versus a mattress alone. Our secondary aim was to define a clinical target volume (CTV) to planning target volume (PTV) expansion margin based on our mean systematic error values associated with nasal tumor patients immobilized by a mattress and bite block. We evaluated six parameters for setup corrections: systematic error, random error, patient-patient variation in systematic errors, the magnitude of patient-specific random errors (root mean square [RMS]), distance error, and the variation of setup corrections from zero shift. The variations in all parameters were statistically smaller in the group immobilized by a mattress and bite block. The mean setup corrections in the mattress and bite block group ranged from 0.91 mm to 1.59 mm for the translational errors and 0.5°. Although most veterinary radiation facilities do not have access to Image-guided radiotherapy (IGRT), we identified a need for more rigid fixation, established the value of adding IGRT to veterinary radiation therapy, and define the CTV-PTV setup error margin for canine nasal tumor patients immobilized in a mattress and bite block. © 2012 Veterinary Radiology & Ultrasound.

Bit Error Probability for Maximum Likelihood Decoding of Linear Block Codes

NASA Technical Reports Server (NTRS)

Lin, Shu; Fossorier, Marc P. C.; Rhee, Dojun

1996-01-01

In this paper, the bit error probability P(sub b) for maximum likelihood decoding of binary linear codes is investigated. The contribution of each information bit to P(sub b) is considered. For randomly generated codes, it is shown that the conventional approximation at high SNR P(sub b) is approximately equal to (d(sub H)/N)P(sub s), where P(sub s) represents the block error probability, holds for systematic encoding only. Also systematic encoding provides the minimum P(sub b) when the inverse mapping corresponding to the generator matrix of the code is used to retrieve the information sequence. The bit error performances corresponding to other generator matrix forms are also evaluated. Although derived for codes with a generator matrix randomly generated, these results are shown to provide good approximations for codes used in practice. Finally, for decoding methods which require a generator matrix with a particular structure such as trellis decoding or algebraic-based soft decision decoding, equivalent schemes that reduce the bit error probability are discussed.

Effect of phase errors in stepped-frequency radar systems

NASA Astrophysics Data System (ADS)

Vanbrundt, H. E.

1988-04-01

Stepped-frequency waveforms are being considered for inverse synthetic aperture radar (ISAR) imaging from ship and airborne platforms and for detailed radar cross section (RCS) measurements of ships and aircraft. These waveforms make it possible to achieve resolutions of 1.0 foot by using existing radar designs and processing technology. One problem not yet fully resolved in using stepped-frequency waveform for ISAR imaging is the deterioration in signal level caused by random frequency error. Random frequency error of the stepped-frequency source results in reduced peak responses and increased null responses. The resulting reduced signal-to-noise ratio is range dependent. Two of the major concerns addressed in this report are radar range limitations for ISAR and the error in calibration for RCS measurements caused by differences in range between a passive reflector used for an RCS reference and the target to be measured. In addressing these concerns, NOSC developed an analysis to assess the tolerable frequency error in terms of resulting power loss in signal power and signal-to-phase noise.

Value stream mapping of the Pap test processing procedure: a lean approach to improve quality and efficiency.

PubMed

Michael, Claire W; Naik, Kalyani; McVicker, Michael

2013-05-01

We developed a value stream map (VSM) of the Papanicolaou test procedure to identify opportunities to reduce waste and errors, created a new VSM, and implemented a new process emphasizing Lean tools. Preimplementation data revealed the following: (1) processing time (PT) for 1,140 samples averaged 54 hours; (2) 27 accessioning errors were detected on review of 357 random requisitions (7.6%); (3) 5 of the 20,060 tests had labeling errors that had gone undetected in the processing stage. Four were detected later during specimen processing but 1 reached the reporting stage. Postimplementation data were as follows: (1) PT for 1,355 samples averaged 31 hours; (2) 17 accessioning errors were detected on review of 385 random requisitions (4.4%); and (3) no labeling errors were undetected. Our results demonstrate that implementation of Lean methods, such as first-in first-out processes and minimizing batch size by staff actively participating in the improvement process, allows for higher quality, greater patient safety, and improved efficiency.

Influence of ultraviolet irradiation on data retention characteristics in resistive random access memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimura, K.; Ohmi, K.; Tottori University Electronic Display Research Center, 101 Minami4-chome, Koyama-cho, Tottori-shi, Tottori 680-8551

With increasing density of memory devices, the issue of generating soft errors by cosmic rays is becoming more and more serious. Therefore, the irradiation resistance of resistance random access memory (ReRAM) to cosmic radiation has to be elucidated for practical use. In this paper, we investigated the data retention characteristics of ReRAM against ultraviolet irradiation with a Pt/NiO/ITO structure. Soft errors were confirmed to be caused by ultraviolet irradiation in both low- and high-resistance states. An analysis of the wavelength dependence of light irradiation on data retention characteristics suggested that electronic excitation from the valence to the conduction band andmore » to the energy level generated due to the introduction of oxygen vacancies caused the errors. Based on a statistically estimated soft error rates, the errors were suggested to be caused by the cohesion and dispersion of oxygen vacancies owing to the generation of electron-hole pairs and valence changes by the ultraviolet irradiation.« less

Estimation of daily interfractional larynx residual setup error after isocentric alignment for head and neck radiotherapy: Quality-assurance implications for target volume and organ-at-risk margination using daily CT-on-rails imaging

PubMed Central

Baron, Charles A.; Awan, Musaddiq J.; Mohamed, Abdallah S. R.; Akel, Imad; Rosenthal, David I.; Gunn, G. Brandon; Garden, Adam S.; Dyer, Brandon A.; Court, Laurence; Sevak, Parag R; Kocak-Uzel, Esengul; Fuller, Clifton D.

2016-01-01

Larynx may alternatively serve as a target or organ-at-risk (OAR) in head and neck cancer (HNC) image-guided radiotherapy (IGRT). The objective of this study was to estimate IGRT parameters required for larynx positional error independent of isocentric alignment and suggest population–based compensatory margins. Ten HNC patients receiving radiotherapy (RT) with daily CT-on-rails imaging were assessed. Seven landmark points were placed on each daily scan. Taking the most superior anterior point of the C5 vertebra as a reference isocenter for each scan, residual displacement vectors to the other 6 points were calculated post-isocentric alignment. Subsequently, using the first scan as a reference, the magnitude of vector differences for all 6 points for all scans over the course of treatment were calculated. Residual systematic and random error, and the necessary compensatory CTV-to-PTV and OAR-to-PRV margins were calculated, using both observational cohort data and a bootstrap-resampled population estimator. The grand mean displacements for all anatomical points was 5.07mm, with mean systematic error of 1.1mm and mean random setup error of 2.63mm, while bootstrapped POIs grand mean displacement was 5.09mm, with mean systematic error of 1.23mm and mean random setup error of 2.61mm. Required margin for CTV-PTV expansion was 4.6mm for all cohort points, while the bootstrap estimator of the equivalent margin was 4.9mm. The calculated OAR-to-PRV expansion for the observed residual set-up error was 2.7mm, and bootstrap estimated expansion of 2.9mm. We conclude that the interfractional larynx setup error is a significant source of RT set-up/delivery error in HNC both when the larynx is considered as a CTV or OAR. We estimate the need for a uniform expansion of 5mm to compensate for set up error if the larynx is a target or 3mm if the larynx is an OAR when using a non-laryngeal bony isocenter. PMID:25679151

Estimation of daily interfractional larynx residual setup error after isocentric alignment for head and neck radiotherapy: quality assurance implications for target volume and organs‐at‐risk margination using daily CT on‐rails imaging

PubMed Central

Baron, Charles A.; Awan, Musaddiq J.; Mohamed, Abdallah S.R.; Akel, Imad; Rosenthal, David I.; Gunn, G. Brandon; Garden, Adam S.; Dyer, Brandon A.; Court, Laurence; Sevak, Parag R.; Kocak‐Uzel, Esengul

2014-01-01

Larynx may alternatively serve as a target or organs at risk (OAR) in head and neck cancer (HNC) image‐guided radiotherapy (IGRT). The objective of this study was to estimate IGRT parameters required for larynx positional error independent of isocentric alignment and suggest population‐based compensatory margins. Ten HNC patients receiving radiotherapy (RT) with daily CT on‐rails imaging were assessed. Seven landmark points were placed on each daily scan. Taking the most superior‐anterior point of the C5 vertebra as a reference isocenter for each scan, residual displacement vectors to the other six points were calculated postisocentric alignment. Subsequently, using the first scan as a reference, the magnitude of vector differences for all six points for all scans over the course of treatment was calculated. Residual systematic and random error and the necessary compensatory CTV‐to‐PTV and OAR‐to‐PRV margins were calculated, using both observational cohort data and a bootstrap‐resampled population estimator. The grand mean displacements for all anatomical points was 5.07 mm, with mean systematic error of 1.1 mm and mean random setup error of 2.63 mm, while bootstrapped POIs grand mean displacement was 5.09 mm, with mean systematic error of 1.23 mm and mean random setup error of 2.61 mm. Required margin for CTV‐PTV expansion was 4.6 mm for all cohort points, while the bootstrap estimator of the equivalent margin was 4.9 mm. The calculated OAR‐to‐PRV expansion for the observed residual setup error was 2.7 mm and bootstrap estimated expansion of 2.9 mm. We conclude that the interfractional larynx setup error is a significant source of RT setup/delivery error in HNC, both when the larynx is considered as a CTV or OAR. We estimate the need for a uniform expansion of 5 mm to compensate for setup error if the larynx is a target, or 3 mm if the larynx is an OAR, when using a nonlaryngeal bony isocenter. PACS numbers: 87.55.D‐, 87.55.Qr

Analysis of space telescope data collection system

NASA Technical Reports Server (NTRS)

Ingels, F. M.; Schoggen, W. O.

1982-01-01

An analysis of the expected performance for the Multiple Access (MA) system is provided. The analysis covers the expected bit error rate performance, the effects of synchronization loss, the problem of self-interference, and the problem of phase ambiguity. The problem of false acceptance of a command word due to data inversion is discussed. A mathematical determination of the probability of accepting an erroneous command word due to a data inversion is presented. The problem is examined for three cases: (1) a data inversion only, (2) a data inversion and a random error within the same command word, and a block (up to 256 48-bit words) containing both a data inversion and a random error.

Modeling methodology for MLS range navigation system errors using flight test data

NASA Technical Reports Server (NTRS)

Karmali, M. S.; Phatak, A. V.

1982-01-01

Flight test data was used to develop a methodology for modeling MLS range navigation system errors. The data used corresponded to the constant velocity and glideslope approach segment of a helicopter landing trajectory. The MLS range measurement was assumed to consist of low frequency and random high frequency components. The random high frequency component was extracted from the MLS range measurements. This was done by appropriate filtering of the range residual generated from a linearization of the range profile for the final approach segment. This range navigation system error was then modeled as an autoregressive moving average (ARMA) process. Maximum likelihood techniques were used to identify the parameters of the ARMA process.

The statistical pitfalls of the partially randomized preference design in non-blinded trials of psychological interventions.

PubMed

Gemmell, Isla; Dunn, Graham

2011-03-01

In a partially randomized preference trial (PRPT) patients with no treatment preference are allocated to groups at random, but those who express a preference receive the treatment of their choice. It has been suggested that the design can improve the external and internal validity of trials. We used computer simulation to illustrate the impact that an unmeasured confounder could have on the results and conclusions drawn from a PRPT. We generated 4000 observations ("patients") that reflected the distribution of the Beck Depression Index (DBI) in trials of depression. Half were randomly assigned to a randomized controlled trial (RCT) design and half were assigned to a PRPT design. In the RCT, "patients" were evenly split between treatment and control groups; whereas in the preference arm, to reflect patient choice, 87.5% of patients were allocated to the experimental treatment and 12.5% to the control. Unadjusted analyses of the PRPT data consistently overestimated the treatment effect and its standard error. This lead to Type I errors when the true treatment effect was small and Type II errors when the confounder effect was large. The PRPT design is not recommended as a method of establishing an unbiased estimate of treatment effect due to the potential influence of unmeasured confounders. Copyright © 2011 John Wiley & Sons, Ltd.

An improved procedure for the validation of satellite-based precipitation estimates

NASA Astrophysics Data System (ADS)

Tang, Ling; Tian, Yudong; Yan, Fang; Habib, Emad

2015-09-01

The objective of this study is to propose and test a new procedure to improve the validation of remote-sensing, high-resolution precipitation estimates. Our recent studies show that many conventional validation measures do not accurately capture the unique error characteristics in precipitation estimates to better inform both data producers and users. The proposed new validation procedure has two steps: 1) an error decomposition approach to separate the total retrieval error into three independent components: hit error, false precipitation and missed precipitation; and 2) the hit error is further analyzed based on a multiplicative error model. In the multiplicative error model, the error features are captured by three model parameters. In this way, the multiplicative error model separates systematic and random errors, leading to more accurate quantification of the uncertainties. The proposed procedure is used to quantitatively evaluate the recent two versions (Version 6 and 7) of TRMM's Multi-sensor Precipitation Analysis (TMPA) real-time and research product suite (3B42 and 3B42RT) for seven years (2005-2011) over the continental United States (CONUS). The gauge-based National Centers for Environmental Prediction (NCEP) Climate Prediction Center (CPC) near-real-time daily precipitation analysis is used as the reference. In addition, the radar-based NCEP Stage IV precipitation data are also model-fitted to verify the effectiveness of the multiplicative error model. The results show that winter total bias is dominated by the missed precipitation over the west coastal areas and the Rocky Mountains, and the false precipitation over large areas in Midwest. The summer total bias is largely coming from the hit bias in Central US. Meanwhile, the new version (V7) tends to produce more rainfall in the higher rain rates, which moderates the significant underestimation exhibited in the previous V6 products. Moreover, the error analysis from the multiplicative error model provides a clear and concise picture of the systematic and random errors, with both versions of 3B42RT have higher errors in varying degrees than their research (post-real-time) counterparts. The new V7 algorithm shows obvious improvements in reducing random errors in both winter and summer seasons, compared to its predecessors V6. Stage IV, as expected, surpasses the satellite-based datasets in all the metrics over CONUS. Based on the results, we recommend the new procedure be adopted for routine validation of satellite-based precipitation datasets, and we expect the procedure will work effectively for higher resolution data to be produced in the Global Precipitation Measurement (GPM) era.

Making electronic prescribing alerts more effective: scenario-based experimental study in junior doctors

PubMed Central

Shah, Priya; Wyatt, Jeremy C; Makubate, Boikanyo; Cross, Frank W

2011-01-01

Objective Expert authorities recommend clinical decision support systems to reduce prescribing error rates, yet large numbers of insignificant on-screen alerts presented in modal dialog boxes persistently interrupt clinicians, limiting the effectiveness of these systems. This study compared the impact of modal and non-modal electronic (e-) prescribing alerts on prescribing error rates, to help inform the design of clinical decision support systems. Design A randomized study of 24 junior doctors each performing 30 simulated prescribing tasks in random order with a prototype e-prescribing system. Using a within-participant design, doctors were randomized to be shown one of three types of e-prescribing alert (modal, non-modal, no alert) during each prescribing task. Measurements The main outcome measure was prescribing error rate. Structured interviews were performed to elicit participants' preferences for the prescribing alerts and their views on clinical decision support systems. Results Participants exposed to modal alerts were 11.6 times less likely to make a prescribing error than those not shown an alert (OR 11.56, 95% CI 6.00 to 22.26). Those shown a non-modal alert were 3.2 times less likely to make a prescribing error (OR 3.18, 95% CI 1.91 to 5.30) than those not shown an alert. The error rate with non-modal alerts was 3.6 times higher than with modal alerts (95% CI 1.88 to 7.04). Conclusions Both kinds of e-prescribing alerts significantly reduced prescribing error rates, but modal alerts were over three times more effective than non-modal alerts. This study provides new evidence about the relative effects of modal and non-modal alerts on prescribing outcomes. PMID:21836158

Statistics of the epoch of reionization 21-cm signal - I. Power spectrum error-covariance

NASA Astrophysics Data System (ADS)

Mondal, Rajesh; Bharadwaj, Somnath; Majumdar, Suman

2016-02-01

The non-Gaussian nature of the epoch of reionization (EoR) 21-cm signal has a significant impact on the error variance of its power spectrum P(k). We have used a large ensemble of seminumerical simulations and an analytical model to estimate the effect of this non-Gaussianity on the entire error-covariance matrix {C}ij. Our analytical model shows that {C}ij has contributions from two sources. One is the usual variance for a Gaussian random field which scales inversely of the number of modes that goes into the estimation of P(k). The other is the trispectrum of the signal. Using the simulated 21-cm Signal Ensemble, an ensemble of the Randomized Signal and Ensembles of Gaussian Random Ensembles we have quantified the effect of the trispectrum on the error variance {C}II. We find that its relative contribution is comparable to or larger than that of the Gaussian term for the k range 0.3 ≤ k ≤ 1.0 Mpc-1, and can be even ˜200 times larger at k ˜ 5 Mpc-1. We also establish that the off-diagonal terms of {C}ij have statistically significant non-zero values which arise purely from the trispectrum. This further signifies that the error in different k modes are not independent. We find a strong correlation between the errors at large k values (≥0.5 Mpc-1), and a weak correlation between the smallest and largest k values. There is also a small anticorrelation between the errors in the smallest and intermediate k values. These results are relevant for the k range that will be probed by the current and upcoming EoR 21-cm experiments.

Optics measurement and correction during beam acceleration in the Relativistic Heavy Ion Collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, C.; Marusic, A.; Minty, M.

2014-09-09

To minimize operational complexities, setup of collisions in high energy circular colliders typically involves acceleration with near constant β-functions followed by application of strong focusing quadrupoles at the interaction points (IPs) for the final beta-squeeze. At the Relativistic Heavy Ion Collider (RHIC) beam acceleration and optics squeeze are performed simultaneously. In the past, beam optics correction at RHIC has taken place at injection and at final energy with some interpolation of corrections into the acceleration cycle. Recent measurements of the beam optics during acceleration and squeeze have evidenced significant beta-beats which if corrected could minimize undesirable emittance dilutions and maximizemore » the spin polarization of polarized proton beams by avoidance of higher-order multipole fields sampled by particles within the bunch. In this report the methodology now operational at RHIC for beam optics corrections during acceleration with simultaneous beta-squeeze will be presented together with measurements which conclusively demonstrate the superior beam control. As a valuable by-product, the corrections have minimized the beta-beat at the profile monitors so reducing the dominant error in and providing more precise measurements of the evolution of the beam emittances during acceleration.« less

The Angular Power Spectrum of BATSE 3B Gamma-Ray Bursts

NASA Technical Reports Server (NTRS)

Tegmark, Max; Hartmann, Dieter H.; Briggs, Michael S.; Meegan, Charles A.

1996-01-01

We compute the angular power spectrum C(sub l) from the BATSE 3B catalog of 1122 gamma-ray bursts and find no evidence for clustering on any scale. These constraints bridge the entire range from small scales (which probe source clustering and burst repetition) to the largest scales (which constrain possible anisotropics from the Galactic halo or from nearby cosmological large-scale structures). We develop an analysis technique that takes the angular position errors into account. For specific clustering or repetition models, strong upper limits can be obtained down to scales l approx. equal to 30, corresponding to a couple of degrees on the sky. The minimum-variance burst weighting that we employ is visualized graphically as an all-sky map in which each burst is smeared out by an amount corresponding to its position uncertainty. We also present separate bandpass-filtered sky maps for the quadrupole term and for the multipole ranges l = 3-10 and l = 11-30, so that the fluctuations on different angular scales can be inspected separately for visual features such as localized 'hot spots' or structures aligned with the Galactic plane. These filtered maps reveal no apparent deviations from isotropy.

Evaluation and optimization of sampling errors for the Monte Carlo Independent Column Approximation

NASA Astrophysics Data System (ADS)

Räisänen, Petri; Barker, W. Howard

2004-07-01

The Monte Carlo Independent Column Approximation (McICA) method for computing domain-average broadband radiative fluxes is unbiased with respect to the full ICA, but its flux estimates contain conditional random noise. McICA's sampling errors are evaluated here using a global climate model (GCM) dataset and a correlated-k distribution (CKD) radiation scheme. Two approaches to reduce McICA's sampling variance are discussed. The first is to simply restrict all of McICA's samples to cloudy regions. This avoids wasting precious few samples on essentially homogeneous clear skies. Clear-sky fluxes need to be computed separately for this approach, but this is usually done in GCMs for diagnostic purposes anyway. Second, accuracy can be improved by repeated sampling, and averaging those CKD terms with large cloud radiative effects. Although this naturally increases computational costs over the standard CKD model, random errors for fluxes and heating rates are reduced by typically 50% to 60%, for the present radiation code, when the total number of samples is increased by 50%. When both variance reduction techniques are applied simultaneously, globally averaged flux and heating rate random errors are reduced by a factor of #3.

An efficient computational method for characterizing the effects of random surface errors on the average power pattern of reflectors

NASA Technical Reports Server (NTRS)

Rahmat-Samii, Y.

1983-01-01

Based on the works of Ruze (1966) and Vu (1969), a novel mathematical model has been developed to determine efficiently the average power pattern degradations caused by random surface errors. In this model, both nonuniform root mean square (rms) surface errors and nonuniform illumination functions are employed. In addition, the model incorporates the dependence on F/D in the construction of the solution. The mathematical foundation of the model rests on the assumption that in each prescribed annular region of the antenna, the geometrical rms surface value is known. It is shown that closed-form expressions can then be derived, which result in a very efficient computational method for the average power pattern. Detailed parametric studies are performed with these expressions to determine the effects of different random errors and illumination tapers on parameters such as gain loss and sidelobe levels. The results clearly demonstrate that as sidelobe levels decrease, their dependence on the surface rms/wavelength becomes much stronger and, for a specified tolerance level, a considerably smaller rms/wavelength is required to maintain the low sidelobes within the required bounds.

Narrowband (LPC-10) Vocoder Performance under Combined Effects of Random Bit Errors and Jet Aircraft Cabin Noise.

DTIC Science & Technology

1983-12-01

rAD-141 333 NRRROWRAND (LPC-iB) VOCODER PERFORMANCE UNDER COMBINED i/ EFFECTS OF RRNDOM.(U) ROME AIR DEVELOPMENT CENTER GRIFFISS RFB NY C P SMITH DEC...LPC-10) VOCODER In House. PERFORMANCE UNDER COMBINED EFFECTS June 82 - Sept. 83 OF RANDOM BIT ERRORS AND JET AIRCRAFT Z PERFORMING ORG REPO- NUMSEF...PAGE(Wh.n Does Eneerd) 20. (contd) Compartment, and NCA Compartment were alike in their effects on overall vocoder performance . Composite performance

Interpreting angular momentum transfer between electromagnetic multipoles using vector spherical harmonics.

PubMed

Grinter, Roger; Jones, Garth A

2018-02-01

The transfer of angular momentum between a quadrupole emitter and a dipole acceptor is investigated theoretically. Vector spherical harmonics are used to describe the angular part of the field of the mediating photon. Analytical results are presented for predicting angular momentum transfer between the emitter and absorber within a quantum electrodynamical framework. We interpret the allowability of such a process, which appears to violate conservation of angular momentum, in terms of the breakdown of the isotropy of space at the point of photon absorption (detection). That is, collapse of the wavefunction results in loss of all angular momentum information. This is consistent with Noether's Theorem and demystifies some common misconceptions about the nature of the photon. The results have implications for interpreting the detection of photons from multipole sources and offers insight into limits on information that can be extracted from quantum measurements in photonic systems.

First measurement of the polarization observable E in the p → (γ → ,π+) n reaction up to 2.25 GeV

NASA Astrophysics Data System (ADS)

Strauch, S.; Briscoe, W. J.; Döring, M.; Klempt, E.; Nikonov, V. A.; Pasyuk, E.; Rönchen, D.; Sarantsev, A. V.; Strakovsky, I.; Workman, R.; Adhikari, K. P.; Adikaram, D.; Anderson, M. D.; Anefalos Pereira, S.; Anisovich, A. V.; Badui, R. A.; Ball, J.; Batourine, V.; Battaglieri, M.; Bedlinskiy, I.; Benmouna, N.; Biselli, A. S.; Brock, J.; Brooks, W. K.; Burkert, V. D.; Cao, T.; Carlin, C.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Cortes, O.; Crede, V.; Dashyan, N.; D'Angelo, A.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Filippi, A.; Fleming, J. A.; Forest, T. A.; Fradi, A.; Gevorgyan, N.; Ghandilyan, Y.; Giovanetti, K. L.; Girod, F. X.; Glazier, D. I.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joo, K.; Joosten, S.; Keith, C. D.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Kuhn, S. E.; Lenisa, P.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Meekins, D. G.; Meyer, C. A.; Mokeev, V.; Montgomery, R. A.; Moody, C. I.; Moutarde, H.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Net, L. A.; Niccolai, S.; Niculescu, G.; Niculescu, I.; O'Rielly, G.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Peng, P.; Phelps, W.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rizzo, A.; Rosner, G.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Seely, M. L.; Senderovich, I.; Sharabian, Y. G.; Simonyan, A.; Skorodumina, Iu.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Sparveris, N.; Stoler, P.; Stepanyan, S.; Sytnik, V.; Taiuti, M.; Tian, Ye; Trivedi, A.; Tucker, R.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2015-11-01

First results from the longitudinally polarized frozen-spin target (FROST) program are reported. The double-polarization observable E, for the reaction γ → p → →π+ n, has been measured using a circularly polarized tagged-photon beam, with energies from 0.35 to 2.37 GeV. The final-state pions were detected with the CEBAF Large Acceptance Spectrometer in Hall B at the Thomas Jefferson National Accelerator Facility. These polarization data agree fairly well with previous partial-wave analyses at low photon energies. Over much of the covered energy range, however, significant deviations are observed, particularly in the high-energy region where high-L multipoles contribute. The data have been included in new multipole analyses resulting in updated nucleon resonance parameters. We report updated fits from the Bonn-Gatchina, Jülich-Bonn, and SAID groups.

Multipole electrodynamic ion trap geometries for microparticle confinement under standard ambient temperature and pressure conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mihalcea, Bogdan M., E-mail: bogdan.mihalcea@inflpr.ro; Vişan, Gina T.; Ganciu, Mihai

2016-03-21

Trapping of microparticles and aerosols is of great interest for physics and chemistry. We report microparticle trapping in case of multipole linear Paul trap geometries, operating under standard ambient temperature and pressure conditions. An 8- and 12-electrode linear trap geometries have been designed and tested with an aim to achieve trapping for larger number of particles and to study microparticle dynamical stability in electrodynamic fields. We report emergence of planar and volume ordered structures of microparticles, depending on the a.c. trapping frequency and particle specific charge ratio. The electric potential within the trap is mapped using the electrolytic tank method.more » Particle dynamics is simulated using a stochastic Langevin equation. We emphasize extended regions of stable trapping with respect to quadrupole traps, as well as good agreement between experiment and numerical simulations.« less

General-relativistic celestial mechanics. 4: Theory of satellite motion

NASA Astrophysics Data System (ADS)

Damour, T.; Soffel, M.; Xu, C.

1993-09-01

The basic equations needed for developing a complete relativistic theory of artificial Earth satellites are explicitly written down. These equations are given both in a local, geocentric frame and in the global, barycentric one. They are derived within our recently introduced general-relativistic celestial mechanics framework. Our approach is more satisfactory than previous ones, especially with regard to its consistency, completeness, and flexibility. In particular, the problem of representing the relativistic gravitational effects associated with the quadrupole and higher multipole moments of the moving Earth, which caused difficulties in several other approaches, is easily dealth with in our approach, thanks to the use of previously developed tools: definition of relativistic multipole moments and transformation theory between reference frames. With this last paper in a series, we hope to indicate the way of using our formalism in specific problems in applied celestial mechanics and astrometry.

Lattice properties of the Phase I BNL x-ray lithography source obtained from fits to magnetic measurement data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blumberg, L.N.; Murphy, J.B.; Reusch, M.F.

1991-01-01

The orbit, tune, chromaticity and {beta} values for the Phase 1 XLS ring were computed by numerical integration of equations of motion using fields obtained from the coefficients of the 3-dimensional solution of Laplace's Equation evaluated by fits to magnetic measurements. The results are in good agreement with available data. The method has been extended to higher order fits of TOSCA generated fields in planes normal to the reference axis using the coil configuration proposed for the Superconducting X-Ray Lithography Source. Agreement with results from numerical integration through fields given directly by TOSCA is excellent. The formulation of the normalmore » multipole expansion presented by Brown and Servranckx has been extended to include skew multipole terms. The method appears appropriate for analysis of magnetic measurements of the SXLS. 8 refs. , 2 figs., 2 tabs.« less

Combined fast multipole-QR compression technique for solving electrically small to large structures for broadband applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram (Inventor); Chowdhury, Indranil (Inventor)

2011-01-01

An approach that efficiently solves for a desired parameter of a system or device that can include both electrically large fast multipole method (FMM) elements, and electrically small QR elements. The system or device is setup as an oct-tree structure that can include regions of both the FMM type and the QR type. An iterative solver is then used to determine a first matrix vector product for any electrically large elements, and a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large elements and the electrically small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter.

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

Atomic spectroscopy with twisted photons: Separation of M 1 -E 2 mixed multipoles

NASA Astrophysics Data System (ADS)

Afanasev, Andrei; Carlson, Carl E.; Solyanik, Maria

2018-02-01

We analyze atomic photoexcitation into the discrete states by twisted photons, or photons carrying extra orbital angular momentum along their direction of propagation. From the angular momentum and parity considerations, we are able to relate twisted-photon photoexcitation amplitudes to their plane-wave analogs, independently of the details of the atomic wave functions. We analyze the photoabsorption cross sections of mixed-multipolarity E 2 -M 1 transitions in ionized atoms and found fundamental differences coming from the photon topology. Our theoretical analysis demonstrates that it is possible to extract the relative transition rates of different multipolar contributions by measuring the photoexcitation rate as a function of the atom's position (or impact parameter) with respect to the optical vortex center. The proposed technique for separation of multipoles can be implemented if the target's atom position is resolved with subwavelength accuracy; for example, with Paul traps. Numerical examples are presented for Boron-like highly charged ions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meinke, Rainer

A method for manufacture of a conductor assembly. The assembly is of the type which, when conducting current, generates a magnetic field or in which, in the presence of a changing magnetic field, a voltage is induced. In an example embodiment one or more first coil rows are formed. The assembly has multiple coil rows about an axis with outer coil rows formed about inner coil rows. A determination is made of deviations from specifications associated with the formed one or more first coil rows. One or more deviations correspond to a magnitude of a multipole field component which departsmore » from a field specification. Based on the deviations, one or more wiring patterns are generated for one or more second coil rows to be formed about the one or more first coil rows. The one or more second coil rows are formed in the assembly. The magnitude of each multipole field component that departs from the field specification is offset.« less

Strong dipole and higher multi-pole Mie resonance modes with all-dielectric nanoring metasurfaces structure

NASA Astrophysics Data System (ADS)

Zhu, Huihui; Jing, Xufeng; Zhou, Pengwei

2018-01-01

Strong electric and magnetic dipole in infrared region and higher order multi-pole resonance at visible wavelengths are observed in all-dielectric nanoring metasurfaces. We discuss some of the parameters that influence the optical response of the dielectric nanoring. Adjustment of nanoring radius (inner radius and outer radius) and height can change the absorption intensity and the resonance peaks. Dipole, quadrupole, six-pole and ten-pole resonance modes can be found in the silicon nanoring at resonance wavelength. The transmission spectrum of nanoring with high Q-factor and contrast is achieved with appropriate parameters. Further the nanoring is used to application of sensing in which the sensitivity reaches 228 nm/RIU. This research is an important step to understand resonance in silicon nanoring and paves way for designing some optic devices such as sensor, nanoantennas, and photovoltaics.

Multipole Superconductivity in Nonsymmorphic Sr_{2}IrO_{4}.

PubMed

Sumita, Shuntaro; Nomoto, Takuya; Yanase, Youichi

2017-07-14

Discoveries of marked similarities to high-T_{c} cuprate superconductors point to the realization of superconductivity in the doped J_{eff}=1/2 Mott insulator Sr_{2}IrO_{4}. Contrary to the mother compound of cuprate superconductors, several stacking patterns of in-plane canted antiferromagnetic moments have been reported, which are distinguished by the ferromagnetic components as -++-, ++++, and -+-+. In this paper, we clarify unconventional features of the superconductivity coexisting with -++- and -+-+ structures. Combining the group theoretical analysis and numerical calculations for an effective J_{eff}=1/2 model, we show unusual superconducting gap structures in the -++- state protected by nonsymmorphic magnetic space group symmetry. Furthermore, our calculation shows that the Fulde-Ferrell-Larkin-Ovchinnikov superconductivity is inevitably stabilized in the -+-+ state since the odd-parity magnetic -+-+ order makes the band structure asymmetric by cooperating with spin-orbit coupling. These unusual superconducting properties are signatures of magnetic multipole order in nonsymmorphic crystal.

Large-scale 3D galaxy correlation function and non-Gaussianity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raccanelli, Alvise; Doré, Olivier; Bertacca, Daniele

We investigate the properties of the 2-point galaxy correlation function at very large scales, including all geometric and local relativistic effects --- wide-angle effects, redshift space distortions, Doppler terms and Sachs-Wolfe type terms in the gravitational potentials. The general three-dimensional correlation function has a nonzero dipole and octupole, in addition to the even multipoles of the flat-sky limit. We study how corrections due to primordial non-Gaussianity and General Relativity affect the multipolar expansion, and we show that they are of similar magnitude (when f{sub NL} is small), so that a relativistic approach is needed. Furthermore, we look at how large-scalemore » corrections depend on the model for the growth rate in the context of modified gravity, and we discuss how a modified growth can affect the non-Gaussian signal in the multipoles.« less

Collisionless Spectral Kinetic Simulation of Ideal Multipole Resonance Probe

NASA Astrophysics Data System (ADS)

Gong, Junbo; Wilczek, Sebastian; Szeremley, Daniel; Oberrath, Jens; Eremin, Denis; Dobrygin, Wladislaw; Schilling, Christian; Friedrichs, Michael; Brinkmann, Ralf Peter

2016-09-01

Active Plasma Resonance Spectroscopy denotes a class of industry-compatible plasma diagnostic methods which utilize the natural ability of plasmas to resonate on or near the electron plasma frequency ωpe. One particular realization of APRS with a high degree of geometric and electric symmetry is the Multipole Resonance Probe (MRP). The Ideal MRP(IMRP) is an even more symmetric idealization which is suited for theoretical investigations. In this work, a spectral kinetic scheme is presented to investigate the behavior of the IMRP in the low pressure regime. However, due to the velocity difference, electrons are treated as particles whereas ions are only considered as stationary background. In the scheme, the particle pusher integrates the equations of motion for the studied particles, the Poisson solver determines the electric field at each particle position. The proposed method overcomes the limitation of the cold plasma model and covers kinetic effects like collisionless damping.

Active Plasma Resonance Spectroscopy: Evaluation of a fluiddynamic-model of the planar multipole resonance probe using functional analytic methods

NASA Astrophysics Data System (ADS)

Friedrichs, Michael; Brinkmann, Ralf Peter; Oberrath, Jens

2016-09-01

Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP. By coupling the model of the cold plasma with the maxwell equations for electrostatics an analytical model for the admittance of the plasma is derivated, adjusted to cylindrical geometry and solved analytically for the planar MRP using functional analytic methods.

Near-threshold neutral pion electroproduction at high momentum transfers and generalized form factors

NASA Astrophysics Data System (ADS)

Khetarpal, P.; Stoler, P.; Aznauryan, I. G.; Kubarovsky, V.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Anghinolfi, M.; Avakian, H.; Baghdasaryan, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Fersch, R.; Fleming, J. A.; Fradi, A.; Gabrielyan, M. Y.; Garçon, M.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jo, H. S.; Joo, K.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, F. J.; Koirala, S.; Kubarovsky, A.; Kuleshov, S. V.; Kvaltine, N. D.; Lewis, S.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Martinez, D.; Mayer, M.; McKinnon, B.; Meyer, C. A.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Park, S.; Pasyuk, E.; Phelps, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Ricco, G.; Rimal, D.; Ripani, M.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Saylor, N. A.; Schott, D.; Schumacher, R. A.; Seder, E.; Seraydaryan, H.; Sharabian, Y. G.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tang, W.; Taylor, C. E.; Tkachenko, S.; Ungaro, M.; Vernarsky, B.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Weinstein, L. B.; Weygand, D. P.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2013-04-01

We report the measurement of near-threshold neutral pion electroproduction cross sections and the extraction of the associated structure functions on the proton in the kinematic range Q2 from 2 to 4.5 GeV2 and W from 1.08 to 1.16 GeV. These measurements allow us to access the dominant pion-nucleon s-wave multipoles E0+ and S0+ in the near-threshold region. In the light-cone sum-rule framework (LCSR), these multipoles are related to the generalized form factors G1π0p(Q2) and G2π0p(Q2). The data are compared to these generalized form factors and the results for G1π0p(Q2) are found to be in good agreement with the LCSR predictions, but the level of agreement with G2π0p(Q2) is poor.

Acoustic coupled fluid-structure interactions using a unified fast multipole boundary element method.

PubMed

Wilkes, Daniel R; Duncan, Alec J

2015-04-01

This paper presents a numerical model for the acoustic coupled fluid-structure interaction (FSI) of a submerged finite elastic body using the fast multipole boundary element method (FMBEM). The Helmholtz and elastodynamic boundary integral equations (BIEs) are, respectively, employed to model the exterior fluid and interior solid domains, and the pressure and displacement unknowns are coupled between conforming meshes at the shared boundary interface to achieve the acoustic FSI. The low frequency FMBEM is applied to both BIEs to reduce the algorithmic complexity of the iterative solution from O(N(2)) to O(N(1.5)) operations per matrix-vector product for N boundary unknowns. Numerical examples are presented to demonstrate the algorithmic and memory complexity of the method, which are shown to be in good agreement with the theoretical estimates, while the solution accuracy is comparable to that achieved by a conventional finite element-boundary element FSI model.

Multipole Superconductivity in Nonsymmorphic Sr2IrO4

NASA Astrophysics Data System (ADS)

Sumita, Shuntaro; Nomoto, Takuya; Yanase, Youichi

2017-07-01

Discoveries of marked similarities to high-Tc cuprate superconductors point to the realization of superconductivity in the doped Jeff=1 /2 Mott insulator Sr2IrO4. Contrary to the mother compound of cuprate superconductors, several stacking patterns of in-plane canted antiferromagnetic moments have been reported, which are distinguished by the ferromagnetic components as -++-, ++++, and -+-+ . In this paper, we clarify unconventional features of the superconductivity coexisting with -++- and -+-+ structures. Combining the group theoretical analysis and numerical calculations for an effective Jeff=1 /2 model, we show unusual superconducting gap structures in the -++- state protected by nonsymmorphic magnetic space group symmetry. Furthermore, our calculation shows that the Fulde-Ferrell-Larkin-Ovchinnikov superconductivity is inevitably stabilized in the -+-+ state since the odd-parity magnetic -+-+ order makes the band structure asymmetric by cooperating with spin-orbit coupling. These unusual superconducting properties are signatures of magnetic multipole order in nonsymmorphic crystal.

Fast multipole methods on a cluster of GPUs for the meshless simulation of turbulence

NASA Astrophysics Data System (ADS)

Yokota, R.; Narumi, T.; Sakamaki, R.; Kameoka, S.; Obi, S.; Yasuoka, K.

2009-11-01

Recent advances in the parallelizability of fast N-body algorithms, and the programmability of graphics processing units (GPUs) have opened a new path for particle based simulations. For the simulation of turbulence, vortex methods can now be considered as an interesting alternative to finite difference and spectral methods. The present study focuses on the efficient implementation of the fast multipole method and pseudo-particle method on a cluster of NVIDIA GeForce 8800 GT GPUs, and applies this to a vortex method calculation of homogeneous isotropic turbulence. The results of the present vortex method agree quantitatively with that of the reference calculation using a spectral method. We achieved a maximum speed of 7.48 TFlops using 64 GPUs, and the cost performance was near 9.4/GFlops. The calculation of the present vortex method on 64 GPUs took 4120 s, while the spectral method on 32 CPUs took 4910 s.

Forbidden atomic transitions driven by an intensity-modulated laser trap.

PubMed

Moore, Kaitlin R; Anderson, Sarah E; Raithel, Georg

2015-01-20

Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes the multipole-field interaction, which leads to established spectroscopic selection rules, and an interaction that is quadratic in the field, which is not often employed. However, spectroscopy using the quadratic (ponderomotive) interaction promises two significant advantages over spectroscopy using the multipole-field interaction: flexible transition rules and vastly improved spatial addressability of the quantum system. Here we demonstrate ponderomotive spectroscopy by using optical-lattice-trapped Rydberg atoms, pulsating the lattice light and driving a microwave atomic transition that would otherwise be forbidden by established spectroscopic selection rules. This ability to measure frequencies of previously inaccessible transitions makes possible improved determinations of atomic characteristics and constants underlying physics. The spatial resolution of ponderomotive spectroscopy is orders of magnitude better than the transition frequency would suggest, promising single-site addressability in dense particle arrays for quantum computing applications.

First measurement of the polarization observable E in the p →(y →π +)n reaction up to 2.25 GeV

DOE PAGES

Strauch, Steffen

2015-08-28

First results from the longitudinally polarized frozen-spin target (FROST) program are reported. The double-polarization observable E , for the reaction y →p →→π +n, has been measured using a circularly polarized tagged-photon beam, with energies from 0.35 to 2.37 GeV. The final-state pions were detected with the CEBAF Large Acceptance Spectrometer in Hall B at the Thomas Jefferson National Accelerator Facility. These polarization data agree fairly well with previous partial-wave analyses at low photon energies. Over much of the covered energy range, however, significant deviations are observed, particularly in the high-energy region where high-L multipoles contribute. The data have beenmore » included in new multipole analyses resulting in updated nucleon resonance parameters. Lastly, we report updated fits from the Bonn–Gatchina, Jülich–Bonn, and SAID groups.« less

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

DOE PAGES

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; ...

2017-12-22

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

Fast algorithms for Quadrature by Expansion I: Globally valid expansions

NASA Astrophysics Data System (ADS)

Rachh, Manas; Klöckner, Andreas; O'Neil, Michael

2017-09-01

The use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast algorithms for solving the resulting dense linear systems. Classically, these tools were developed separately. In this work, we present a unified numerical scheme based on coupling Quadrature by Expansion, a recent quadrature method, to a customized Fast Multipole Method (FMM) for the Helmholtz equation in two dimensions. The method allows the evaluation of layer potentials in linear-time complexity, anywhere in space, with a uniform, user-chosen level of accuracy as a black-box computational method. Providing this capability requires geometric and algorithmic considerations beyond the needs of standard FMMs as well as careful consideration of the accuracy of multipole translations. We illustrate the speed and accuracy of our method with various numerical examples.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2015-10-14

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

Quantifying Adventitious Error in a Covariance Structure as a Random Effect

PubMed Central

Wu, Hao; Browne, Michael W.

2017-01-01

We present an approach to quantifying errors in covariance structures in which adventitious error, identified as the process underlying the discrepancy between the population and the structured model, is explicitly modeled as a random effect with a distribution, and the dispersion parameter of this distribution to be estimated gives a measure of misspecification. Analytical properties of the resultant procedure are investigated and the measure of misspecification is found to be related to the RMSEA. An algorithm is developed for numerical implementation of the procedure. The consistency and asymptotic sampling distributions of the estimators are established under a new asymptotic paradigm and an assumption weaker than the standard Pitman drift assumption. Simulations validate the asymptotic sampling distributions and demonstrate the importance of accounting for the variations in the parameter estimates due to adventitious error. Two examples are also given as illustrations. PMID:25813463

Nano-metrology: The art of measuring X-ray mirrors with slope errors <100 nrad

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alcock, Simon G., E-mail: simon.alcock@diamond.ac.uk; Nistea, Ioana; Sawhney, Kawal

2016-05-15

We present a comprehensive investigation of the systematic and random errors of the nano-metrology instruments used to characterize synchrotron X-ray optics at Diamond Light Source. With experimental skill and careful analysis, we show that these instruments used in combination are capable of measuring state-of-the-art X-ray mirrors. Examples are provided of how Diamond metrology data have helped to achieve slope errors of <100 nrad for optical systems installed on synchrotron beamlines, including: iterative correction of substrates using ion beam figuring and optimal clamping of monochromator grating blanks in their holders. Simulations demonstrate how random noise from the Diamond-NOM’s autocollimator adds intomore » the overall measured value of the mirror’s slope error, and thus predict how many averaged scans are required to accurately characterize different grades of mirror.« less

Random Weighting, Strong Tracking, and Unscented Kalman Filter for Soft Tissue Characterization.

PubMed

Shin, Jaehyun; Zhong, Yongmin; Oetomo, Denny; Gu, Chengfan

2018-05-21

This paper presents a new nonlinear filtering method based on the Hunt-Crossley model for online nonlinear soft tissue characterization. This method overcomes the problem of performance degradation in the unscented Kalman filter due to contact model error. It adopts the concept of Mahalanobis distance to identify contact model error, and further incorporates a scaling factor in predicted state covariance to compensate identified model error. This scaling factor is determined according to the principle of innovation orthogonality to avoid the cumbersome computation of Jacobian matrix, where the random weighting concept is adopted to improve the estimation accuracy of innovation covariance. A master-slave robotic indentation system is developed to validate the performance of the proposed method. Simulation and experimental results as well as comparison analyses demonstrate that the efficacy of the proposed method for online characterization of soft tissue parameters in the presence of contact model error.

The Gnomon Experiment

NASA Astrophysics Data System (ADS)

Krisciunas, Kevin

2007-12-01

A gnomon, or vertical pointed stick, can be used to determine the north-south direction at a site, as well as one's latitude. If one has accurate time and knows one's time zone, it is also possible to determine one's longitude. From observations on the first day of winter and the first day of summer one can determine the obliquity of the ecliptic. Since we can obtain accurate geographical coordinates from Google Earth or a GPS device, analysis of set of shadow length measurements can be used by students to learn about astronomical coordinate systems, time systems, systematic errors, and random errors. Systematic latitude errors of student datasets are typically 30 nautical miles (0.5 degree) or more, but with care one can achieve systematic and random errors less than 8 nautical miles. One of the advantages of this experiment is that it can be carried out during the day. Also, it is possible to determine if a student has made up his data.

Biometrics encryption combining palmprint with two-layer error correction codes

NASA Astrophysics Data System (ADS)

Li, Hengjian; Qiu, Jian; Dong, Jiwen; Feng, Guang

2017-07-01

To bridge the gap between the fuzziness of biometrics and the exactitude of cryptography, based on combining palmprint with two-layer error correction codes, a novel biometrics encryption method is proposed. Firstly, the randomly generated original keys are encoded by convolutional and cyclic two-layer coding. The first layer uses a convolution code to correct burst errors. The second layer uses cyclic code to correct random errors. Then, the palmprint features are extracted from the palmprint images. Next, they are fused together by XORing operation. The information is stored in a smart card. Finally, the original keys extraction process is the information in the smart card XOR the user's palmprint features and then decoded with convolutional and cyclic two-layer code. The experimental results and security analysis show that it can recover the original keys completely. The proposed method is more secure than a single password factor, and has higher accuracy than a single biometric factor.

Estimating Model Prediction Error: Should You Treat Predictions as Fixed or Random?

NASA Technical Reports Server (NTRS)

Wallach, Daniel; Thorburn, Peter; Asseng, Senthold; Challinor, Andrew J.; Ewert, Frank; Jones, James W.; Rotter, Reimund; Ruane, Alexander

2016-01-01

Crop models are important tools for impact assessment of climate change, as well as for exploring management options under current climate. It is essential to evaluate the uncertainty associated with predictions of these models. We compare two criteria of prediction error; MSEP fixed, which evaluates mean squared error of prediction for a model with fixed structure, parameters and inputs, and MSEP uncertain( X), which evaluates mean squared error averaged over the distributions of model structure, inputs and parameters. Comparison of model outputs with data can be used to estimate the former. The latter has a squared bias term, which can be estimated using hindcasts, and a model variance term, which can be estimated from a simulation experiment. The separate contributions to MSEP uncertain (X) can be estimated using a random effects ANOVA. It is argued that MSEP uncertain (X) is the more informative uncertainty criterion, because it is specific to each prediction situation.

Hybrid computer technique yields random signal probability distributions

NASA Technical Reports Server (NTRS)

Cameron, W. D.

1965-01-01

Hybrid computer determines the probability distributions of instantaneous and peak amplitudes of random signals. This combined digital and analog computer system reduces the errors and delays of manual data analysis.

[Efficacy of motivational interviewing for reducing medication errors in chronic patients over 65 years with polypharmacy: Results of a cluster randomized trial].

PubMed

Pérula de Torres, Luis Angel; Pulido Ortega, Laura; Pérula de Torres, Carlos; González Lama, Jesús; Olaya Caro, Inmaculada; Ruiz Moral, Roger

2014-10-21

To evaluate the effectiveness of an intervention based on motivational interviewing to reduce medication errors in chronic patients over 65 with polypharmacy. Cluster randomized trial that included doctors and nurses of 16 Primary Care centers and chronic patients with polypharmacy over 65 years. The professionals were assigned to the experimental or the control group using stratified randomization. Interventions consisted of training of professionals and revision of patient treatments, application of motivational interviewing in the experimental group and also the usual approach in the control group. The primary endpoint (medication error) was analyzed at individual level, and was estimated with the absolute risk reduction (ARR), relative risk reduction (RRR), number of subjects to treat (NNT) and by multiple logistic regression analysis. Thirty-two professionals were randomized (19 doctors and 13 nurses), 27 of them recruited 154 patients consecutively (13 professionals in the experimental group recruited 70 patients and 14 professionals recruited 84 patients in the control group) and completed 6 months of follow-up. The mean age of patients was 76 years (68.8% women). A decrease in the average of medication errors was observed along the period. The reduction was greater in the experimental than in the control group (F=5.109, P=.035). RRA 29% (95% confidence interval [95% CI] 15.0-43.0%), RRR 0.59 (95% CI:0.31-0.76), and NNT 3.5 (95% CI 2.3-6.8). Motivational interviewing is more efficient than the usual approach to reduce medication errors in patients over 65 with polypharmacy. Copyright © 2013 Elsevier España, S.L.U. All rights reserved.

A practical method to test the validity of the standard Gumbel distribution in logit-based multinomial choice models of travel behavior

DOE PAGES

Ye, Xin; Garikapati, Venu M.; You, Daehyun; ...

2017-11-08

Most multinomial choice models (e.g., the multinomial logit model) adopted in practice assume an extreme-value Gumbel distribution for the random components (error terms) of utility functions. This distributional assumption offers a closed-form likelihood expression when the utility maximization principle is applied to model choice behaviors. As a result, model coefficients can be easily estimated using the standard maximum likelihood estimation method. However, maximum likelihood estimators are consistent and efficient only if distributional assumptions on the random error terms are valid. It is therefore critical to test the validity of underlying distributional assumptions on the error terms that form the basismore » of parameter estimation and policy evaluation. In this paper, a practical yet statistically rigorous method is proposed to test the validity of the distributional assumption on the random components of utility functions in both the multinomial logit (MNL) model and multiple discrete-continuous extreme value (MDCEV) model. Based on a semi-nonparametric approach, a closed-form likelihood function that nests the MNL or MDCEV model being tested is derived. The proposed method allows traditional likelihood ratio tests to be used to test violations of the standard Gumbel distribution assumption. Simulation experiments are conducted to demonstrate that the proposed test yields acceptable Type-I and Type-II error probabilities at commonly available sample sizes. The test is then applied to three real-world discrete and discrete-continuous choice models. For all three models, the proposed test rejects the validity of the standard Gumbel distribution in most utility functions, calling for the development of robust choice models that overcome adverse effects of violations of distributional assumptions on the error terms in random utility functions.« less

A practical method to test the validity of the standard Gumbel distribution in logit-based multinomial choice models of travel behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye, Xin; Garikapati, Venu M.; You, Daehyun

Most multinomial choice models (e.g., the multinomial logit model) adopted in practice assume an extreme-value Gumbel distribution for the random components (error terms) of utility functions. This distributional assumption offers a closed-form likelihood expression when the utility maximization principle is applied to model choice behaviors. As a result, model coefficients can be easily estimated using the standard maximum likelihood estimation method. However, maximum likelihood estimators are consistent and efficient only if distributional assumptions on the random error terms are valid. It is therefore critical to test the validity of underlying distributional assumptions on the error terms that form the basismore » of parameter estimation and policy evaluation. In this paper, a practical yet statistically rigorous method is proposed to test the validity of the distributional assumption on the random components of utility functions in both the multinomial logit (MNL) model and multiple discrete-continuous extreme value (MDCEV) model. Based on a semi-nonparametric approach, a closed-form likelihood function that nests the MNL or MDCEV model being tested is derived. The proposed method allows traditional likelihood ratio tests to be used to test violations of the standard Gumbel distribution assumption. Simulation experiments are conducted to demonstrate that the proposed test yields acceptable Type-I and Type-II error probabilities at commonly available sample sizes. The test is then applied to three real-world discrete and discrete-continuous choice models. For all three models, the proposed test rejects the validity of the standard Gumbel distribution in most utility functions, calling for the development of robust choice models that overcome adverse effects of violations of distributional assumptions on the error terms in random utility functions.« less

[Comparative volumetry of human testes using special types of testicular sonography, Prader's orchidometer, Schirren's circle and sliding caliber].

PubMed

Dörnberger, V; Dörnberger, G

1987-01-01

On 99 testes of corpses (death had occurred between 26 und 86 years) comparative volumetry was done. In the left surrounding capsules (without scrotal skin and tunica dartos) the testes were measured via real time sonography in a waterbath (7.5 MHz linear-scan), afterwards length, breadth and height were measured by a sliding calibre, the largest diameter (the length) of the testis was determined by Schirren's circle and finally the size of the testis was measured via Prader's orchidometer. After all the testes were surgically exposed, their volume (by litres) was determined according to Archimedes' principle. As for the Archimedes' principle a random mean error of 7% must be accepted, sonographic determination of the volume showed a random mean error of 15%. Whereas the accuracy of measurement increases with increasing volumes, both methods should be used with caution if the volumes are below 4 ml, since the possibilities of error are rather great. According to Prader's orchidometer the measured volumes on average were higher (+ 27%) with a random mean error of 19.5%. With Schirren's circle the obtained mean value was even higher (+ 52%) in comparison to the "real" volume by Archimedes' principle with a random mean error of 19%. The measurements of the testes in the left capsules by sliding calibre can be optimized, if one applies a correcting factor f (sliding calibre) = 0.39 for calculation of the testis volume corresponding to an ellipsoid. Here you will get the same mean value as in Archimedes' principle with a standard mean error of only 9%. If one applies the correction factor of real time sonography of testis f (sono) = 0.65 the mean value of sliding calibre measurements would be 68.8% too high with a standard mean error of 20.3%. For measurements via sliding calibre the calculation of the testis volume corresponding to an ellipsoid one should apply the smaller factor f (sliding calibre) = 0.39, because in this way the left capsules of testis and the epididymis are considered.

Setup deviations for whole-breast radiotherapy with TomoDirect: A comparison of weekly and biweekly image-guided protocols

NASA Astrophysics Data System (ADS)

Jung, Jae Hong; Jung, Joo-Young; Bae, Sun Hyun; Moon, Seong Kwon; Cho, Kwang Hwan

2016-10-01

The purpose of this study was to compare patient setup deviations for different image-guided protocols (weekly vs. biweekly) that are used in TomoDirect three-dimensional conformal radiotherapy (TD-3DCRT) for whole-breast radiation therapy (WBRT). A total of 138 defined megavoltage computed tomography (MVCT) image sets from 46 breast cancer cases were divided into two groups based on the imaging acquisition times: weekly or biweekly. The mean error, three-dimensional setup displacement error (3D-error), systematic error (Σ), and random error (σ) were calculated for each group. The 3D-errors were 4.29 ± 1.11 mm and 5.02 ± 1.85 mm for the weekly and biweekly groups, respectively; the biweekly error was 14.6% higher than the weekly error. The systematic errors in the roll angle and the x, y, and z directions were 0.48°, 1.72 mm, 2.18 mm, and 1.85 mm for the weekly protocol and 0.21°, 1.24 mm, 1.39 mm, and 1.85 mm for the biweekly protocol. Random errors in the roll angle and the x, y, and z directions were 25.7%, 40.6%, 40.0%, and 40.8% higher in the biweekly group than in the weekly group. For the x, y, and z directions, the distributions of the treatment frequency at less than 5 mm were 98.6%, 91.3%, and 94.2% in the weekly group and 94.2%, 89.9%, and 82.6% in the biweekly group. Moreover, the roll angles with 0 - 1° were 79.7% and 89.9% in the weekly and the biweekly groups, respectively. Overall, the evaluation of setup deviations for the two protocols revealed no significant differences (p > 0.05). Reducing the frequency of MVCT imaging could have promising effects on imaging doses and machine times during treatment. However, the biweekly protocol was associated with increased random setup deviations in the treatment. We have demonstrated a biweekly protocol of TD-3DCRT for WBRT, and we anticipate that our method may provide an alternative approach for considering the uncertainties in the patient setup.

Documentation of study medication dispensing in a prospective large randomized clinical trial: experiences from the ARISTOTLE Trial.

PubMed

Alexander, John H; Levy, Elliott; Lawrence, Jack; Hanna, Michael; Waclawski, Anthony P; Wang, Junyuan; Califf, Robert M; Wallentin, Lars; Granger, Christopher B

2013-09-01

In ARISTOTLE, apixaban resulted in a 21% reduction in stroke, a 31% reduction in major bleeding, and an 11% reduction in death. However, approval of apixaban was delayed to investigate a statement in the clinical study report that "7.3% of subjects in the apixaban group and 1.2% of subjects in the warfarin group received, at some point during the study, a container of the wrong type." Rates of study medication dispensing error were characterized through reviews of study medication container tear-off labels in 6,520 participants from randomly selected study sites. The potential effect of dispensing errors on study outcomes was statistically simulated in sensitivity analyses in the overall population. The rate of medication dispensing error resulting in treatment error was 0.04%. Rates of participants receiving at least 1 incorrect container were 1.04% (34/3,273) in the apixaban group and 0.77% (25/3,247) in the warfarin group. Most of the originally reported errors were data entry errors in which the correct medication container was dispensed but the wrong container number was entered into the case report form. Sensitivity simulations in the overall trial population showed no meaningful effect of medication dispensing error on the main efficacy and safety outcomes. Rates of medication dispensing error were low and balanced between treatment groups. The initially reported dispensing error rate was the result of data recording and data management errors and not true medication dispensing errors. These analyses confirm the previously reported results of ARISTOTLE. © 2013.

Equivalent Linearization Analysis of Geometrically Nonlinear Random Vibrations Using Commercial Finite Element Codes

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Muravyov, Alexander A.

2002-01-01

Two new equivalent linearization implementations for geometrically nonlinear random vibrations are presented. Both implementations are based upon a novel approach for evaluating the nonlinear stiffness within commercial finite element codes and are suitable for use with any finite element code having geometrically nonlinear static analysis capabilities. The formulation includes a traditional force-error minimization approach and a relatively new version of a potential energy-error minimization approach, which has been generalized for multiple degree-of-freedom systems. Results for a simply supported plate under random acoustic excitation are presented and comparisons of the displacement root-mean-square values and power spectral densities are made with results from a nonlinear time domain numerical simulation.

Test-retest reliability of jump execution variables using mechanography: a comparison of jump protocols.

PubMed

Fitzgerald, John S; Johnson, LuAnn; Tomkinson, Grant; Stein, Jesse; Roemmich, James N

2018-05-01

Mechanography during the vertical jump may enhance screening and determining mechanistic causes underlying physical performance changes. Utility of jump mechanography for evaluation is limited by scant test-retest reliability data on force-time variables. This study examined the test-retest reliability of eight jump execution variables assessed from mechanography. Thirty-two women (mean±SD: age 20.8 ± 1.3 yr) and 16 men (age 22.1 ± 1.9 yr) attended a familiarization session and two testing sessions, all one week apart. Participants performed two variations of the squat jump with squat depth self-selected and controlled using a goniometer to 80º knee flexion. Test-retest reliability was quantified as the systematic error (using effect size between jumps), random error (using coefficients of variation), and test-retest correlations (using intra-class correlation coefficients). Overall, jump execution variables demonstrated acceptable reliability, evidenced by small systematic errors (mean±95%CI: 0.2 ± 0.07), moderate random errors (mean±95%CI: 17.8 ± 3.7%), and very strong test-retest correlations (range: 0.73-0.97). Differences in random errors between controlled and self-selected protocols were negligible (mean±95%CI: 1.3 ± 2.3%). Jump execution variables demonstrated acceptable reliability, with no meaningful differences between the controlled and self-selected jump protocols. To simplify testing, a self-selected jump protocol can be used to assess force-time variables with negligible impact on measurement error.

Effects of Heterogeneity and Uncertainties in Sources and Initial and Boundary Conditions on Spatiotemporal Variations of Groundwater Levels

NASA Astrophysics Data System (ADS)

Zhang, Y. K.; Liang, X.

2014-12-01

Effects of aquifer heterogeneity and uncertainties in source/sink, and initial and boundary conditions in a groundwater flow model on the spatiotemporal variations of groundwater level, h(x,t), were investigated. Analytical solutions for the variance and covariance of h(x, t) in an unconfined aquifer described by a linearized Boussinesq equation with a white noise source/sink and a random transmissivity field were derived. It was found that in a typical aquifer the error in h(x,t) in early time is mainly caused by the random initial condition and the error reduces as time goes to reach a constant error in later time. The duration during which the effect of the random initial condition is significant may last a few hundred days in most aquifers. The constant error in groundwater in later time is due to the combined effects of the uncertain source/sink and flux boundary: the closer to the flux boundary, the larger the error. The error caused by the uncertain head boundary is limited in a narrow zone near the boundary but it remains more or less constant over time. The effect of the heterogeneity is to increase the variation of groundwater level and the maximum effect occurs close to the constant head boundary because of the linear mean hydraulic gradient. The correlation of groundwater level decreases with temporal interval and spatial distance. In addition, the heterogeneity enhances the correlation of groundwater level, especially at larger time intervals and small spatial distances.

Inspiral, merger, and ringdown of unequal mass black hole binaries: A multipolar analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berti, Emanuele; Cardoso, Vitor; Gonzalez, Jose A.

We study the inspiral, merger, and ringdown of unequal mass black hole binaries by analyzing a catalogue of numerical simulations for seven different values of the mass ratio (from q=M{sub 2}/M{sub 1}=1 to q=4). We compare numerical and post-Newtonian results by projecting the waveforms onto spin-weighted spherical harmonics, characterized by angular indices (l,m). We find that the post-Newtonian equations predict remarkably well the relation between the wave amplitude and the orbital frequency for each (l,m), and that the convergence of the post-Newtonian series to the numerical results is nonmonotonic. To leading order, the total energy emitted in the merger phasemore » scales like {eta}{sup 2} and the spin of the final black hole scales like {eta}, where {eta}=q/(1+q){sup 2} is the symmetric mass ratio. We study the multipolar distribution of the radiation, finding that odd-l multipoles are suppressed in the equal mass limit. Higher multipoles carry a larger fraction of the total energy as q increases. We introduce and compare three different definitions for the ringdown starting time. Applying linear-estimation methods (the so-called Prony methods) to the ringdown phase, we find resolution-dependent time variations in the fitted parameters of the final black hole. By cross correlating information from different multipoles, we show that ringdown fits can be used to obtain precise estimates of the mass and spin of the final black hole, which are in remarkable agreement with energy and angular momentum balance calculations.« less