Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2014-12-09

We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.

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.

Error studies of Halbach Magnets

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

Brooks, S.

2017-03-02

These error studies were done on the Halbach magnets for the CBETA “First Girder” as described in note [CBETA001]. The CBETA magnets have since changed slightly to the lattice in [CBETA009]. However, this is not a large enough change to significantly affect the results here. The QF and BD arc FFAG magnets are considered. For each assumed set of error distributions and each ideal magnet, 100 random magnets with errors are generated. These are then run through an automated version of the iron wire multipole cancellation algorithm. The maximum wire diameter allowed is 0.063” as in the proof-of-principle magnets. Initially,more » 32 wires (2 per Halbach wedge) are tried, then if this does not achieve 1e-­4 level accuracy in the simulation, 48 and then 64 wires. By “1e-4 accuracy”, it is meant the FOM defined by √(Σ n≥sextupole a n 2+b n 2) is less than 1 unit, where the multipoles are taken at the maximum nominal beam radius, R=23mm for these magnets. The algorithm initially uses 20 convergence interations. If 64 wires does not achieve 1e-­4 accuracy, this is increased to 50 iterations to check for slow converging cases. There are also classifications for magnets that do not achieve 1e-4 but do achieve 1e-3 (FOM ≤ 10 units). This is technically within the spec discussed in the Jan 30, 2017 review; however, there will be errors in practical shimming not dealt with in the simulation, so it is preferable to do much better than the spec in the simulation.« less

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.

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.

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.

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

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.

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.

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;

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

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

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.

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.

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

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.

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.

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.

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

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.

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.

Measurement and analysis of electronic energy transfer between Tb 3+ and Eu 3+ ions in Cs 2NaY 1-x-y Tb xEu yCl 6

NASA Astrophysics Data System (ADS)

Moran, Diane M.; May, P. Stanley; Richardson, F. S.

1994-08-01

Electronic energy-transfer processes between Tb 3+5D 4) and Eu 3+ ( 7F 0, 7F 1) ions in crystalline Cs 2NaY 1-x-yTb xEu yCl 6 compounds are examined over a wide range of relative Tb 3+ and Eu 3+ concentrations (at sample temperature of 77 and 295 K). In these systems, the Tb 3+ and Eu 3+ ions are located at centrosymmetric (O h) sites surrounded by six Cl - ions, and the minimum distance between these sites is ≈ 7.6 Å. The host lattice has a cubic structure (space group O h5-Fm3m), and the phonon spectrum of this lattice has a cut-off frequency of ≈ 300 cm -1. The optical spectra of Tb 3+ and Eu 3+ in Cs 2NaYCl 6 exhibit relatively sparse line structures, consisting almost entirely of magnetic-dipole origin lines and one-phonon-assisted electric-dipole vibronic lines that reflect O h selection rules and have relatively low oscillator strenghts. Overlap between Tb 3+ ( 5D 4) emission and Eu 3+ ( 7F 0, 7F 1) absorption spectra occurs only within the Tb 3+ ( 5D 4 → 7 F 4 and Eu 3+ ( 7F 0, 7F 1 → 5D 0 transition regions, and resonances between individual lines in these regions are used to identify possible pathways for Tb 3+ ( 5D 4)-to-Eu 3+ ( 7F 0, 7F 1) energy transfer. Rates of energy transfer are determined from time-resolved Tb 3+ ( 5D 4) luminescence intersity measurements, analyzed in terms of two different models for representing donor (Tb 3+)-acceptor (Eu 3+) site distributions in Cs 2NaY 1-x-yTb xEu yCl 6 systems. In one model, donor-accepator site distances are represented by a continuous radial distribution function, whereas in the second model, these distances are represented by a discrete distribution function. Both models are used to analyze donor luminescence decay data in terms of rate parameters that reflect specific mechanistic contributions to electronic energy transfer. Both electron-exchange and multipole-multipole mechanisms are considered in the analyses. Results from these analyses, combined with spectral overlap considerations and comparisons of 77 versus 295 K rate data, suggest an electric-quadrupole/electric-dipole mechanism in which a 5D 4(T 1g → 7F 4(T 1g) electric-quadrupole transition on Tb 3+ excites a 7F 0(A 1g) + v4(t 1u → 5D 0(A 1g) electric-dipole (vibronic) transition on Eu 3+. Rate data obtained on systems of stoichiometric formulae Cs 2NaY 0.95-xTb xEu 0.05Cl 6 show that Tb 3+( 5D 4)- to-Eu 3+ ( 7F 0, 7F 1) energy-transfer rates a Tb 3+-Tb 3+ energy-migration processes when tx > 0.05. Direct calculations of Tb 3+ ( 5D 4)-Eu 3+ ( 7F 0, 7F 1) and Tb 3+ ( 5D 4-Tb 3+ ( 7F 6) multipole-multipole interaction parameters are performed, and the parameters obtained from these calculations are compared to those derived from parametric fits of experimentally observed rate data. Discrepancies between calculated and ovserved rate parameters are large, and possible explanations for these discrepancies are discussed.

The p({gamma}, {pi}{sup 0}) reaction in the {Delta}(1232) region

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

Davidson, R.M.; Gutenberg, J.; Mukhopadhyay, N.C.

Linearly polarized photons from the Laser Electron Gamma Source (LEGS) have been used by Blanpied et al. to study the p({gamma}, {pi}{sup 0}) reaction, looking for the E2 transition amplitude in the nucleon to Delta(1232) excitation. These authors contrast their measured cross-section ratio d{sigma}{parallel}/d{sigma}{perpendicular}, with expectations of earlier analyses, by the authors and Wittman (DMW), by Nozawa et al. (NBL), and using the multipoles of Behrends and Donnachie directly, and find {open_quotes}large discrepancies{close_quotes} among them. Here the authors clarify these discrepancies. The crucial difference between DMW and NBL calculations is the inclusion of the u-channel {Delta} contribution in DMW, omittedmore » in NBL. The authors find for a fair, though not perfect, agreement with the new data: E{sub 1+}{sup {pi}}{sup 0} {r_arrow}2.1E{sub 1+}{sup {pi}}{sup 0}, keeping other multipoles fixed.« less

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.

A Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation

NASA Astrophysics Data System (ADS)

Cho, Min Hyung; Cai, Wei

2010-12-01

A Wideband Fast Multipole Method (FMM) for the 2D Helmholtz equation is presented. It can evaluate the interactions between N particles governed by the fundamental solution of 2D complex Helmholtz equation in a fast manner for a wide range of complex wave number k, which was not easy with the original FMM due to the instability of the diagonalized conversion operator. This paper includes the description of theoretical backgrounds, the FMM algorithm, software structures, and some test runs. Program summaryProgram title: 2D-WFMM Catalogue identifier: AEHI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHI_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.: 4636 No. of bytes in distributed program, including test data, etc.: 82 582 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Any operating system with gcc version 4.2 or newer Has the code been vectorized or parallelized?: Multi-core processors with shared memory RAM: Depending on the number of particles N and the wave number k Classification: 4.8, 4.12 External routines: OpenMP ( http://openmp.org/wp/) Nature of problem: Evaluate interaction between N particles governed by the fundamental solution of 2D Helmholtz equation with complex k. Solution method: Multilevel Fast Multipole Algorithm in a hierarchical quad-tree structure with cutoff level which combines low frequency method and high frequency method. Running time: Depending on the number of particles N, wave number k, and number of cores in CPU. CPU time increases as N log N.

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.

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

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.

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.

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).

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

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.

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.

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.

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.

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).

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.

Exact e-e (exchange) correlations of 2-D quantum dots in magnetic field: Size extensive N = 3 , 4 , … , ‧ n ‧ -electron systems via multi-pole expansion

NASA Astrophysics Data System (ADS)

Aggarwal, Priyanka; Sharma, Shivalika; Singh, Sunny; Kaur, Harsimran; Hazra, Ram Kuntal

2017-04-01

Inclusion of coulomb interaction emerges with the complexity of either convergence of integrals or separation of variables of Schrödinger equations. For an N-electron system, interaction terms grow by N(N-1)/2 factors. Therefore, 2-e system stands as fundamental basic unit for generalized N-e systems. For the first time, we have evaluated e-e correlations in very simple and absolutely terminating finite summed hypergeometric series for 2-D double carrier parabolic quantum dot in both zero and arbitrary non-zero magnetic field (symmetric gauge) and have appraised these integrals in variational methods. The competitive role among confinement strength, magnetic field, mass of the carrier and dielectric constant of the medium on energy level diagram, level-spacing statistics, heat capacities (Cv at 1 K) and magnetization (T ∼ (0-1)K) is studied on systems spanning over wide range of materials (GaAs,Ge,CdS,SiO2 and He, etc). We have also constructed an exact theory for generalized correlated N-e 2-D quantum dots via multi-pole expansion but for the sake of compactness of the article we refrain from data.

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

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.

Measuring the 2D baryon acoustic oscillation signal of galaxies in WiggleZ: cosmological constraints.

PubMed

Hinton, Samuel R; Kazin, Eyal; Davis, Tamara M; Blake, Chris; Brough, Sarah; Colless, Matthew; Couch, Warrick J; Drinkwater, Michael J; Glazebrook, Karl; Jurek, Russell J; Parkinson, David; Pimbblet, Kevin A; Poole, Gregory B; Pracy, Michael; Woods, David

2017-02-01

We present results from the 2D anisotropic baryon acoustic oscillation (BAO) signal present in the final data set from the WiggleZ Dark Energy Survey. We analyse the WiggleZ data in two ways: first using the full shape of the 2D correlation function and secondly focusing only on the position of the BAO peak in the reconstructed data set. When fitting for the full shape of the 2D correlation function we use a multipole expansion to compare with theory. When we use the reconstructed data we marginalize over the shape and just measure the position of the BAO peak, analysing the data in wedges separating the signal along the line of sight from that parallel to the line of sight. We verify our method with mock data and find the results to be free of bias or systematic offsets. We also redo the pre-reconstruction angle-averaged (1D) WiggleZ BAO analysis with an improved covariance and present an updated result. The final results are presented in the form of Ω c   h 2 , H ( z ), and D A ( z ) for three redshift bins with effective redshifts z = 0.44, 0.60, and 0.73. Within these bins and methodologies, we recover constraints between 5 and 22 per cent error. Our cosmological constraints are consistent with flat ΛCDM cosmology and agree with results from the Baryon Oscillation Spectroscopic Survey.

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.

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.

Measuring the 2D baryon acoustic oscillation signal of galaxies in WiggleZ: cosmological constraints

PubMed Central

Hinton, Samuel R.; Kazin, Eyal; Davis, Tamara M.; Blake, Chris; Brough, Sarah; Colless, Matthew; Couch, Warrick J.; Drinkwater, Michael J.; Glazebrook, Karl; Jurek, Russell J.; Parkinson, David; Pimbblet, Kevin A.; Poole, Gregory B.; Pracy, Michael; Woods, David

2016-01-01

We present results from the 2D anisotropic baryon acoustic oscillation (BAO) signal present in the final data set from the WiggleZ Dark Energy Survey. We analyse the WiggleZ data in two ways: first using the full shape of the 2D correlation function and secondly focusing only on the position of the BAO peak in the reconstructed data set. When fitting for the full shape of the 2D correlation function we use a multipole expansion to compare with theory. When we use the reconstructed data we marginalize over the shape and just measure the position of the BAO peak, analysing the data in wedges separating the signal along the line of sight from that parallel to the line of sight. We verify our method with mock data and find the results to be free of bias or systematic offsets. We also redo the pre-reconstruction angle-averaged (1D) WiggleZ BAO analysis with an improved covariance and present an updated result. The final results are presented in the form of Ωc h2, H(z), and DA(z) for three redshift bins with effective redshifts z = 0.44, 0.60, and 0.73. Within these bins and methodologies, we recover constraints between 5 and 22 per cent error. Our cosmological constraints are consistent with flat ΛCDM cosmology and agree with results from the Baryon Oscillation Spectroscopic Survey. PMID:28066154

Measuring the 2D baryon acoustic oscillation signal of galaxies in WiggleZ: cosmological constraints

NASA Astrophysics Data System (ADS)

Hinton, Samuel R.; Kazin, Eyal; Davis, Tamara M.; Blake, Chris; Brough, Sarah; Colless, Matthew; Couch, Warrick J.; Drinkwater, Michael J.; Glazebrook, Karl; Jurek, Russell J.; Parkinson, David; Pimbblet, Kevin A.; Poole, Gregory B.; Pracy, Michael; Woods, David

2017-02-01

We present results from the 2D anisotropic baryon acoustic oscillation (BAO) signal present in the final data set from the WiggleZ Dark Energy Survey. We analyse the WiggleZ data in two ways: first using the full shape of the 2D correlation function and secondly focusing only on the position of the BAO peak in the reconstructed data set. When fitting for the full shape of the 2D correlation function we use a multipole expansion to compare with theory. When we use the reconstructed data we marginalize over the shape and just measure the position of the BAO peak, analysing the data in wedges separating the signal along the line of sight from that parallel to the line of sight. We verify our method with mock data and find the results to be free of bias or systematic offsets. We also redo the pre-reconstruction angle-averaged (1D) WiggleZ BAO analysis with an improved covariance and present an updated result. The final results are presented in the form of Ωc h2, H(z), and DA(z) for three redshift bins with effective redshifts z = 0.44, 0.60, and 0.73. Within these bins and methodologies, we recover constraints between 5 and 22 per cent error. Our cosmological constraints are consistent with flat ΛCDM cosmology and agree with results from the Baryon Oscillation Spectroscopic Survey.

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.

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.

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

Chaotic dynamical aperture

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

Lee, S.Y.; Tepikian, S.

1985-01-01

Nonlinear magnetic forces become more important for particles in the modern large accelerators. These nonlinear elements are introduced either intentionally to control beam dynamics or by uncontrollable random errors. Equations of motion in the nonlinear Hamiltonian are usually non-integrable. Because of the nonlinear part of the Hamiltonian, the tune diagram of accelerators is a jungle. Nonlinear magnet multipoles are important in keeping the accelerator operation point in the safe quarter of the hostile jungle of resonant tunes. Indeed, all the modern accelerator designs have taken advantages of nonlinear mechanics. On the other hand, the effect of the uncontrollable random multipolesmore » should be evaluated carefully. A powerful method of studying the effect of these nonlinear multipoles is using a particle tracking calculation, where a group of test particles are tracing through these magnetic multipoles in the accelerator hundreds to millions of turns in order to test the dynamical aperture of the machine. These methods are extremely useful in the design of a large accelerator such as SSC, LEP, HERA and RHIC. These calculations unfortunately take a tremendous amount of computing time. In this review the method of determining chaotic orbit and applying the method to nonlinear problems in accelerator physics is discussed. We then discuss the scaling properties and effect of random sextupoles.« less

Multipole Vectors: Decomposing Functions on a Sphere

NASA Astrophysics Data System (ADS)

Copi, C. J.; Huterer, D.; Starkman, G. D.

2011-09-01

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 CMB anisotropy. Nevertheless, it is straightforward to determine the multipole vectors for a given CMB map and we present an algorithm to compute them. Using the 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 ILC 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.

Beyond Euler angles: exploiting the angle-axis parametrization in a multipole expansion of the rotation operator.

PubMed

Siemens, Mark; Hancock, Jason; Siminovitch, David

2007-02-01

Euler angles (alpha,beta,gamma) are cumbersome from a computational point of view, and their link to experimental parameters is oblique. The angle-axis {Phi, n} parametrization, especially in the form of quaternions (or Euler-Rodrigues parameters), has served as the most promising alternative, and they have enjoyed considerable success in rf pulse design and optimization. We focus on the benefits of angle-axis parameters by considering a multipole operator expansion of the rotation operator D(Phi, n), and a Clebsch-Gordan expansion of the rotation matrices D(MM')(J)(Phi, n). Each of the coefficients in the Clebsch-Gordan expansion is proportional to the product of a spherical harmonic of the vector n specifying the axis of rotation, Y(lambdamu)(n), with a fixed function of the rotation angle Phi, a Gegenbauer polynomial C(2J-lambda)(lambda+1)(cosPhi/2). Several application examples demonstrate that this Clebsch-Gordan expansion gives easy and direct access to many of the parameters of experimental interest, including coherence order changes (isolated in the Clebsch-Gordan coefficients), and rotation angle (isolated in the Gegenbauer polynomials).

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.

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 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.

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.

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,

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.

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.

Dipolar DC Collisional Activation in a "Stretched" 3-D Ion Trap: The Effect of Higher Order Fields on rf-Heating

NASA Astrophysics Data System (ADS)

Prentice, Boone M.; McLuckey, Scott A.

2012-04-01

Applying dipolar DC (DDC) to the end-cap electrodes of a 3-D ion trap operated with a bath gas at roughly 1 mTorr gives rise to `rf-heating' and can result in collision-induced dissociation (CID). This approach to ion trap CID differs from the conventional single-frequency resonance excitation approach in that it does not rely on tuning a supplementary frequency to coincide with the fundamental secular frequeny of the precursor ion of interest. Simulations using the program ITSIM 5.0 indicate that application of DDC physically displaces ions solely in the axial (inter end-cap) dimension whereupon ion acceleration occurs via power absorption from the drive rf. Experimental data shows that the degree of rf-heating in a stretched 3-D ion trap is not dependent solely on the ratio of the dipolar DC voltage/radio frequency (rf) amplitude, as a model based on a pure quadrupole field suggests. Rather, ion temperatures are shown to increase as the absolute values of the dipolar DC and rf amplitude both decrease. Simulations indicate that the presence of higher order multi-pole fields underlies this unexpected behavior. These findings have important implications for the use of DDC as a broad-band activation approach in multi-pole traps.

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

Direct Visualization of Orbital Flipping in Volborthite by Charge Density Analysis Using Detwinned Data

NASA Astrophysics Data System (ADS)

Sugawara, Kento; Sugimoto, Kunihisa; Fujii, Tatsuya; Higuchi, Takafumi; Katayama, Naoyuki; Okamoto, Yoshihiko; Sawa, Hiroshi

2018-02-01

The distribution of d-orbital valence electrons in volborthite [Cu3V2O7(OH)2 • 2H2O] was investigated by charge density analysis of the multipole model refinement. Diffraction data were obtained by synchrotron radiation single-crystal X-ray diffraction experiments. Data reduction by detwinning of the multiple structural domains was performed using our developed software. In this study, using high-quality data, we demonstrated that the water molecules in volborthite can be located by the hydrogen bonding in cavities that consist of Kagome lattice layers of CuO4(OH)2 and pillars of V2O7. Final multipole refinements before and after the structural phase transition directly visualized the deformation electron density of the valence electrons. We successfully directly visualized the orbital flipping of the d-orbital dx2-y2, which is the highest level of 3d orbitals occupied by d9 electrons in volborthite. The developed techniques and software can be employed for investigations of structural properties of systems with multiple structural domains.

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

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.

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.

New design studies for TRIUMF's ARIEL High Resolution Separator

NASA Astrophysics Data System (ADS)

Maloney, J. A.; Baartman, R.; Marchetto, M.

2016-06-01

As part of its new Advanced Rare IsotopE Laboratory (ARIEL), TRIUMF is designing a novel High Resolution Separator (HRS) (Maloney et al., 2015) to separate rare isotopes. The HRS has a 180° bend, separated into two 90° magnetic dipoles, bend radius 1.2 m, with an electrostatic multipole corrector between them. Second order correction comes mainly from the dipole edge curvatures, but is intended to be fine-tuned with a sextupole component and a small octupole component in the multipole. This combination is designed to achieve 1:20,000 resolution for a 3 μm (horizontal) and 6 μm (vertical) emittance. A design for the HRS dipole magnets achieves both radial and integral flatness goals of <10-5. A review of the optical design for the HRS is presented, including the study of limiting factors affecting separation, matching and aberration correction. Field simulations from the OPERA-3D (OPERA) [2] models of the dipole magnets are used in COSY Infinity (COSY) (Berz and Makino, 2005) [3] to find and optimize the transfer maps to 3rd order and study residual nonlinearities to 8th order.

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.

Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.

PubMed

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

2014-02-15

Accurate electrostatics necessitates the use of multipole moments centered on nuclei or extra point charges centered away from the nuclei. Here, we follow the former alternative and investigate the convergence behavior of atom-atom electrostatic interactions in the pilot protein crambin. Amino acids are cut out from a Protein Data Bank structure of crambin, as single amino acids, di, or tripeptides, and are then capped with a peptide bond at each side. The atoms in the amino acids are defined through Quantum Chemical Topology (QCT) as finite volume electron density fragments. Atom-atom electrostatic energies are computed by means of a multipole expansion with regular spherical harmonics, up to a total interaction rank of L = ℓA+ ℓB + 1 = 10. The minimum internuclear distance in the convergent region of all the 15 possible types of atom-atom interactions in crambin that were calculated based on single amino acids are close to the values calculated from di and tripeptides. Values obtained at B3LYP/aug-cc-pVTZ and MP2/aug-cc-pVTZ levels are only slightly larger than those calculated at HF/6-31G(d,p) level. This convergence behavior is transferable to the well-known amyloid beta polypeptide Aβ1-42. Moreover, for a selected central atom, the influence of its neighbors on its multipole moments is investigated, and how far away this influence can be ignored is also determined. Finally, the convergence behavior of AMBER becomes closer to that of QCT with increasing internuclear distance. Copyright © 2013 Wiley Periodicals, Inc.

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.

Vector matter waves in two-component Bose-Einstein condensates with spatially modulated nonlinearities

NASA Astrophysics Data System (ADS)

Xu, Si-Liu; He, Jun-Rong; Xue, Li; Belić, Milivoj R.

2018-02-01

We demonstrate three-dimensional (3D) vector solitary waves in the coupled (3 + 1)-D nonlinear Gross-Pitaevskii equations with variable nonlinearity coefficients. The analysis is carried out in spherical coordinates, providing novel localized solutions that depend on three modal numbers, l, m, and n. Using the similarity transformation (ST) method in 3D, vector solitary waves are built with the help of a combination of harmonic and trapping potentials, including multipole solutions and necklace rings. In general, the solutions found are stable for low values of the modal numbers; for values larger than 2, the solutions are found to be unstable. Variable nonlinearity allows the utilization of soliton management methods.

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.

Cluster-Based Multipolling Sequencing Algorithm for Collecting RFID Data in Wireless LANs

NASA Astrophysics Data System (ADS)

Choi, Woo-Yong; Chatterjee, Mainak

2015-03-01

With the growing use of RFID (Radio Frequency Identification), it is becoming important to devise ways to read RFID tags in real time. Access points (APs) of IEEE 802.11-based wireless Local Area Networks (LANs) are being integrated with RFID networks that can efficiently collect real-time RFID data. Several schemes, such as multipolling methods based on the dynamic search algorithm and random sequencing, have been proposed. However, as the number of RFID readers associated with an AP increases, it becomes difficult for the dynamic search algorithm to derive the multipolling sequence in real time. Though multipolling methods can eliminate the polling overhead, we still need to enhance the performance of the multipolling methods based on random sequencing. To that extent, we propose a real-time cluster-based multipolling sequencing algorithm that drastically eliminates more than 90% of the polling overhead, particularly so when the dynamic search algorithm fails to derive the multipolling sequence in real time.

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.

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.

Multipole induced splitting of metal-cage vibrations in crystalline endohedral D2d-M2@C84 dimetallofullerenes.

PubMed

Krause, M; Popov, V N; Inakuma, M; Tagmatarchis, N; Shinohara, H; Georgi, P; Dunsch, L; Kuzmany, H

2004-01-22

Metal-carbon cage vibrations of crystalline endohedral D2d-M2@C84 (M=Sc,Y,Dy) dimetallofullerenes were analyzed by temperature dependent Raman scattering and a dynamical force field model. Three groups of metal-carbon cage modes were found at energies of 35-200 cm(-1) and assigned to metal-cage stretching and deformation vibrations. They exhibit a textbook example for the splitting of molecular vibrations in a crystal field. Induced dipole-dipole and quadrupole-quadrupole interactions account quantitatively for the observed mode splitting. Based on the metal-cage vibrational structure it is demonstrated that D2d-Y2@C84 dimetallofullerene retains a monoclinic crystal structure up to 550 K and undergoes a transition from a disordered to an ordered orientational state at a temperature of approximately 150 K.

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.

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.

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

Multilevel fast multipole method based on a potential formulation for 3D electromagnetic scattering problems.

PubMed

Fall, Mandiaye; Boutami, Salim; Glière, Alain; Stout, Brian; Hazart, Jerome

2013-06-01

A combination of the multilevel fast multipole method (MLFMM) and boundary element method (BEM) can solve large scale photonics problems of arbitrary geometry. Here, MLFMM-BEM algorithm based on a scalar and vector potential formulation, instead of the more conventional electric and magnetic field formulations, is described. The method can deal with multiple lossy or lossless dielectric objects of arbitrary geometry, be they nested, in contact, or dispersed. Several examples are used to demonstrate that this method is able to efficiently handle 3D photonic scatterers involving large numbers of unknowns. Absorption, scattering, and extinction efficiencies of gold nanoparticle spheres, calculated by the MLFMM, are compared with Mie's theory. MLFMM calculations of the bistatic radar cross section (RCS) of a gold sphere near the plasmon resonance and of a silica coated gold sphere are also compared with Mie theory predictions. Finally, the bistatic RCS of a nanoparticle gold-silver heterodimer calculated with MLFMM is compared with unmodified BEM calculations.

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.

The minimal number of parameters in triclinic crystal-field potentials

NASA Astrophysics Data System (ADS)

Mulak, J.

2003-09-01

The optimal parametrization schemes of the crystal-field (CF) potential in fitting procedures are those based on the smallest numbers of parameters. The surplus parametrizations usually lead to artificial and non-physical solutions. Therefore, the symmetry adapted reference systems are commonly used. Instead of them, however, the coordinate systems with the z-axis directed along the principal axes of the CF multipoles (2 k-poles) can be applied successfully, particularly for triclinic CF potentials. Due to the irreducibility of the D(k) representations such a choice can reduce the number of the k-order parameters by 2 k: from 2 k+1 (in the most general case) to only 1 (the axial one). Unfortunately, in general, the numbers of other order CF parameters stay then unrestricted. In this way, the number of parameters for the k-even triclinic CF potentials can be reduced by 4, 8 or 12, for k=2,4 or 6, respectively. Hence, the parametrization schemes based on maximum 14 parameters can be in use solely. For higher point symmetries this number is usually greater than that for the symmetry adapted systems. Nonetheless, many instructive correlations between the multipole contributions to the CF interaction are attainable in this way.

The chaotic dynamical aperture

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

Lee, S.Y.; Tepikian, S.

1985-10-01

Nonlinear magnetic forces become more important for particles in the modern large accelerators. These nonlinear elements are introduced either intentionally to control beam dynamics or by uncontrollable random errors. Equations of motion in the nonlinear Hamiltonian are usually non-integrable. Because of the nonlinear part of the Hamiltonian, the tune diagram of accelerators is a jungle. Nonlinear magnet multipoles are important in keeping the accelerator operation point in the safe quarter of the hostile jungle of resonant tunes. Indeed, all the modern accelerator design have taken advantages of nonlinear mechanics. On the other hand, the effect of the uncontrollable random multipolesmore » should be evaluated carefully. A powerful method of studying the effect of these nonlinear multipoles is using a particle tracking calculation, where a group of test particles are tracing through these magnetic multipoles in the accelerator hundreds to millions of turns in order to test the dynamical aperture of the machine. These methods are extremely useful in the design of a large accelerator such as SSC, LEP, HERA and RHIC. These calculations unfortunately take tremendous amount of computing time. In this paper, we try to apply the existing method in the nonlinear dynamics to study the possible alternative solution. When the Hamiltonian motion becomes chaotic, the tune of the machine becomes undefined. The aperture related to the chaotic orbit can be identified as chaotic dynamical aperture. We review the method of determining chaotic orbit and apply the method to nonlinear problems in accelerator physics. We then discuss the scaling properties and effect of random sextupoles.« less

Generalized Doppler and aberration kernel for frequency-dependent cosmological observables

NASA Astrophysics Data System (ADS)

Yasini, Siavash; Pierpaoli, Elena

2017-11-01

We introduce a frequency-dependent Doppler and aberration transformation kernel for the harmonic multipoles of a general cosmological observable with spin weight s , Doppler weight d and arbitrary frequency spectrum. In the context of cosmic microwave background (CMB) studies, the frequency-dependent formalism allows to correct for the motion-induced aberration and Doppler effects on individual frequency maps with different masks. It also permits to deboost background radiations with non-blackbody frequency spectra, like extragalactic foregrounds and CMB spectra with primordial spectral distortions. The formalism can also be used to correct individual E and B polarization modes and account for motion-induced E/B mixing of polarized observables with d ≠1 at different frequencies. We apply the generalized aberration kernel on polarized and unpolarized specific intensity at 100 and 217 GHz and show that the motion-induced effects typically increase with the frequency of observation. In all-sky CMB experiments, the frequency-dependence of the motion-induced effects for a blackbody spectrum are overall negligible. However in a cut-sky analysis, ignoring the frequency dependence can lead to percent level error in the polarized and unpolarized power spectra over all angular scales. In the specific cut-sky used in our analysis (b >4 5 ° ,fsky≃14 % ), and for the dipole-inferred velocity β =0.00123 typically attributed to our peculiar motion, the Doppler and aberration effects can change polarized and unpolarized power spectra of specific intensity in the CMB rest frame by 1 - 2 % , but we find the polarization cross-leakage between E and B modes to be negligible.

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.

Methods for Boundary-Value Problems in Free-Surface Flows: The Third David W. Taylor Lecture, 27 August through 19 September 1974,

DTIC Science & Technology

1974-09-01

reduction arnd reflection, the method of Green functions, the method of multipole expansions, and, time permitting,* variational methods. I shall try to...depending upon the circumstances. If the motion is assumed to be harmonic in time with frequency 0, we may write cD(x,y,z,t) 4)1(x,y,z) cos at + • 2 (x,y,z... time , so that transient j motions associated with starting the wavemaker have died out and the fluid motion is also harmonic with frequency c. 1 Let

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 .

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.

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.

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.

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.

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.

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.

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.

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.

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.

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 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.;

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.

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.

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

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

[Can the scattering of differences from the target refraction be avoided?].

PubMed

Janknecht, P

2008-10-01

We wanted to check how the stochastic error is affected by two lens formulae. The power of the intraocular lens was calculated using the SRK-II formula and the Haigis formula after eye length measurement with ultrasound and the IOL Master. Both lens formulae were partially derived and Gauss error analysis was used for examination of the propagated error. 61 patients with a mean age of 73.8 years were analysed. The postoperative refraction differed from the calculated refraction after ultrasound biometry using the SRK-II formula by 0.05 D (-1.56 to + 1.31, S. D.: 0.59 D; 92 % within +/- 1.0 D), after IOL Master biometry using the SRK-II formula by -0.15 D (-1.18 to + 1.25, S. D.: 0.52 D; 97 % within +/- 1.0 D), and after IOL Master biometry using the Haigis formula by -0.11 D (-1.14 to + 1.14, S. D.: 0.48 D; 95 % within +/- 1.0 D). The results did not differ from one another. The propagated error of the Haigis formula can be calculated according to DeltaP = square root (deltaL x (-4.206))(2) + (deltaVK x 0.9496)(2) + (DeltaDC x (-1.4950))(2). (DeltaL: error measuring axial length, DeltaVK error measuring anterior chamber depth, DeltaDC error measuring corneal power), the propagated error of the SRK-II formula according to DeltaP = square root (DeltaL x (-2.5))(2) + (DeltaDC x (-0.9))(2). The propagated error of the Haigis formula is always larger than the propagated error of the SRK-II formula. Scattering of the postoperative difference from the expected refraction cannot be avoided completely. It is possible to limit the systematic error by developing complicated formulae like the Haigis formula. However, increasing the number of parameters which need to be measured increases the dispersion of the calculated postoperative refraction. A compromise has to be found, and therefore the SRK-II formula is not outdated.

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

Adam, R.; Ade, P. A. R.; Aghanim, N.

The polarized thermal emission from diffuse Galactic dust is the main foreground present in measurements of the polarization of the cosmic microwave background (CMB) at frequencies above 100 GHz. In this study we exploit the uniqueness of the Planck HFI polarization data from 100 to 353 GHz to measure the polarized dust angular power spectra C ℓ EE and C ℓ BB over the multipole range 40 ℓ ∝ ℓ α, with exponents α EE,BB = -2.42 ± 0.02. The amplitudes of the polarization power spectra vary with the average brightness in a way similar to the intensity power spectra.more » The frequency dependence of the dust polarization spectra is consistent with modified blackbody emission with β d = 1.59 and T d = 19.6 K down to the lowest Planck HFI frequencies. We find a systematic difference between the amplitudes of the Galactic B- and E-modes, C ℓ BB/C ℓ EE = 0.5. We verify that these general properties are preserved towards high Galactic latitudes with low dust column densities. We show that even in the faintest dust-emitting regions there are no “clean” windows in the sky where primordial CMB B-mode polarization measurements could be made without subtraction of foreground emission. Finally, we investigate the level of dust polarization in the specific field recently targeted by the BICEP2 experiment. Extrapolation of the Planck 353 GHz data to 150 GHz gives a dust power D ℓ BB ≡ ℓ(ℓ+1)C ℓ BB/(2π) of 1.32 × 10 -2 μK CMB 2 over the multipole range of the primordial recombination bump (40 -2 μK CMB 2 and there is an additional uncertainty (+0.28, -0.24) × 10 -2 μK CMB 2 from the extrapolation. Finally, this level is the same magnitude as reported by BICEP2 over this ℓ range, which highlights the need for assessment of the polarized dust signal even in the cleanest windows of the sky.« less

KiDS-450 + 2dFLenS: Cosmological parameter constraints from weak gravitational lensing tomography and overlapping redshift-space galaxy clustering

NASA Astrophysics Data System (ADS)

Joudaki, Shahab; Blake, Chris; Johnson, Andrew; Amon, Alexandra; Asgari, Marika; Choi, Ami; Erben, Thomas; Glazebrook, Karl; Harnois-Déraps, Joachim; Heymans, Catherine; Hildebrandt, Hendrik; Hoekstra, Henk; Klaes, Dominik; Kuijken, Konrad; Lidman, Chris; Mead, Alexander; Miller, Lance; Parkinson, David; Poole, Gregory B.; Schneider, Peter; Viola, Massimo; Wolf, Christian

2018-03-01

We perform a combined analysis of cosmic shear tomography, galaxy-galaxy lensing tomography, and redshift-space multipole power spectra (monopole and quadrupole) using 450 deg2 of imaging data by the Kilo Degree Survey (KiDS-450) overlapping with two spectroscopic surveys: the 2-degree Field Lensing Survey (2dFLenS) and the Baryon Oscillation Spectroscopic Survey (BOSS). We restrict the galaxy-galaxy lensing and multipole power spectrum measurements to the overlapping regions with KiDS, and self-consistently compute the full covariance between the different observables using a large suite of N-body simulations. We methodically analyse different combinations of the observables, finding that the galaxy-galaxy lensing measurements are particularly useful in improving the constraint on the intrinsic alignment amplitude, while the multipole power spectra are useful in tightening the constraints along the lensing degeneracy direction. The fully combined constraint on S_8 ≡ σ _8 √{Ω _m/0.3}=0.742± 0.035, which is an improvement by 20 per cent compared to KiDS alone, corresponds to a 2.6σ discordance with Planck, and is not significantly affected by fitting to a more conservative set of scales. Given the tightening of the parameter space, we are unable to resolve the discordance with an extended cosmology that is simultaneously favoured in a model selection sense, including the sum of neutrino masses, curvature, evolving dark energy and modified gravity. The complementarity of our observables allows for constraints on modified gravity degrees of freedom that are not simultaneously bounded with either probe alone, and up to a factor of three improvement in the S8 constraint in the extended cosmology compared to KiDS alone.

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.

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

Advanced UXO Detection and Discrimination Using Magnetic Data Based on Extended Euler Deconvolution and Shape Identification Through Multipole Moments

DTIC Science & Technology

2011-04-01

detection. We also thank Len Pasion and Todd Meglich for helpful discussions on the Camp Sibert data set. Finally, we thank Kris Davis from Colorado...depth of potential UXO using a continuous wavelet transform: Conference proceedings, 1012– 1022, SPIE. Billings, S. D., L. R. Pasion , and D. W...1638 2009 Annual Report. Lanczos, C., 1988, Applied analysis: Courier Dover Publications. Li, Y., Krahenbuhl, R., Meglich, T., Pasion , L

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.

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

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.

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.

First-principles study of the binding energy between nanostructures and its scaling with system size

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Jiao, Yang; Mo, Yuxiang; Yang, Zeng-Hui; Zhu, Jian-Xin; Hyldgaard, Per; Perdew, John P.

2018-04-01

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large N with an analytical formula (in meV/atom), Eb/N =a +b /N +c /N2+d /N3 , where N is the number of atoms in a nanostructure and a , b , c , and d are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. We find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.

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.

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.

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.

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.

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.

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

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.

The experimental charge-density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide.

PubMed

Abramov, Y A; Volkov, A; Wu, G; Coppens, P

2000-11-01

A new module interfaced to the XD programming package has been used in the evaluation of intermolecular interactions and lattice energies of the crystals of p-nitroaniline, L-asparagine monohydrate and the pentapeptide Boc-Gln-D-Iva-Hyp-Ala-Phol (Boc = butoxycarbonyl, Iva = isovaline = ethylalanine, Phol = phenylalaninol). The electrostatic interactions are evaluated with the atom-centered distributed multipoles from KRMM (kappa'-restricted multipole model) refinements, using the Buckingham expression for non-overlapping charge densities. Results for p-nitroaniline are compared with Hartree-Fock (HF), density functional (DFT) and Moller-Plesset (MP2) supermolecular calculations and with HF and DFT periodic calculations. The HF and DFT methods fail to predict the stability of the p-nitroaniline crystal but the results of the experimental charge-density approach (ECDA) are in good agreement with both MP2 interaction energies and the experimental lattice energy. ECDA results for L-asparagine monohydrate compare well with those from DFT supermolecular and periodic HF calculations. The disorder of the terminal group in the pentapeptide, which persists at the experimental temperature of 20 K, corresponds to an energy difference of only 0.35 kJ mol(-1), which is too small to be reproduced with current methods.

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.

Flow noise of an underwater vector sensor embedded in a flexible towed array.

PubMed

Korenbaum, Vladimir I; Tagiltsev, Alexander A

2012-05-01

The objective of this work is to simulate the flow noise of a vector sensor embedded in a flexible towed array. The mathematical model developed, based on long-wavelength analysis of the inner space of a cylindrical multipole source, predicts the reduction of the flow noise of a vector sensor embedded in an underwater flexible towed array by means of intensimetric processing (cross-spectral density calculation of oscillatory velocity and sound-pressure-sensor responses). It is found experimentally that intensimetric processing results in flow noise reduction by 12-25 dB at mean levels and by 10-30 dB in fluctuations compared to a squared oscillatory velocity channel. The effect of flow noise suppression in the intensimetry channel relative to a squared sound pressure channel is observed, but only for frequencies above the threshold. These suppression values are 10-15 dB at mean noise levels and 3-6 dB in fluctuations. At towing velocities of 1.5-3 ms(-1) and an accumulation time of 98.3 s, the threshold frequency in fluctuations is between 30 and 45 Hz.

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.

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.

Can the BMS Algorithm Decode Up to \\lfloor \\frac{d_G-g-1}{2}\\rfloor Errors? Yes, but with Some Additional Remarks

NASA Astrophysics Data System (ADS)

Sakata, Shojiro; Fujisawa, Masaya

It is a well-known fact [7], [9] that the BMS algorithm with majority voting can decode up to half the Feng-Rao designed distance dFR. Since dFR is not smaller than the Goppa designed distance dG, that algorithm can correct up to \\lfloor \\frac{d_G-1}{2}\\rfloor errors. On the other hand, it has been considered to be evident that the original BMS algorithm (without voting) [1], [2] can correct up to \\lfloor \\frac{d_G-g-1}{2}\\rfloor errors similarly to the basic algorithm by Skorobogatov-Vladut. But, is it true? In this short paper, we show that it is true, although we need a few remarks and some additional procedures for determining the Groebner basis of the error locator ideal exactly. In fact, as the basic algorithm gives a set of polynomials whose zero set contains the error locators as a subset, it cannot always give the exact error locators, unless the syndrome equation is solved to find the error values in addition.

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.

Helical patterns of magnetization and magnetic charge density in iron whiskers

NASA Astrophysics Data System (ADS)

Templeton, Terry L.; Hanham, Scott D.; Arrott, Anthony S.

2018-05-01

Studies with the (1 1 1) axis along the long axis of an iron whisker, 40 years ago, showed two phenomena that have remained unexplained: 1) In low fields, there are six peaks in the ac susceptibility, separated by 0.2 mT; 2) Bitter patterns showed striped domain patterns. Multipole columns of magnetic charge density distort to form helical patterns of the magnetization, accounting for the peaks in the susceptibility from the propagation of edge solitons along the intersections of the six sides of a (1 1 1) whisker. The stripes follow the helices. We report micromagnetic simulations in cylinders with various geometries for the cross-sections from rectangular, to hexagonal, to circular, with wide ranges of sizes and lengths, and different anisotropies, including (0 0 1) whiskers and the hypothetical case of no anisotropy. The helical patterns have been there in previous studies, but overlooked. The surface swirls and body helices are connected, but have their own individual behaviors. The magnetization patterns are more easily understood when viewed observing the scalar divergences of the magnetization as isosurfaces of magnetic charge density. The plus and minus charge densities form columns that interact with unlike charges attracting, but not annihilating as they are paid for by a decrease in exchange energy. Just as they start to form the helix, the columns are multipoles. If one could stretch the columns, the self-energy of the charges in a column would be diminished while making the attractive interactions of the unlike charges larger. The columns elongate by becoming helical. The visualization of 3-D magnetic charge distributions aids in the understanding of magnetization in soft magnetic materials.

Geometry and mechanics of two-dimensional defects in amorphous materials

PubMed Central

Moshe, Michael; Levin, Ido; Aharoni, Hillel; Kupferman, Raz; Sharon, Eran

2015-01-01

We study the geometry of defects in amorphous materials and their elastic interactions. Defects are defined and characterized by deviations of the material’s intrinsic metric from a Euclidian metric. This characterization makes possible the identification of localized defects in amorphous materials, the formulation of a corresponding elastic problem, and its solution in various cases of physical interest. We present a multipole expansion that covers a large family of localized 2D defects. The dipole term, which represents a dislocation, is studied analytically and experimentally. Quadrupoles and higher multipoles correspond to fundamental strain-carrying entities. The interactions between those entities, as well as their interaction with external stress fields, are fundamental to the inelastic behavior of solids. We develop analytical tools to study those interactions. The model, methods, and results presented in this work are all relevant to the study of systems that involve a distribution of localized sources of strain. Examples are plasticity in amorphous materials and mechanical interactions between cells on a flexible substrate. PMID:26261331

A wideband FMBEM for 2D acoustic design sensitivity analysis based on direct differentiation method

NASA Astrophysics Data System (ADS)

Chen, Leilei; Zheng, Changjun; Chen, Haibo

2013-09-01

This paper presents a wideband fast multipole boundary element method (FMBEM) for two dimensional acoustic design sensitivity analysis based on the direct differentiation method. The wideband fast multipole method (FMM) formed by combining the original FMM and the diagonal form FMM is used to accelerate the matrix-vector products in the boundary element analysis. The Burton-Miller formulation is used to overcome the fictitious frequency problem when using a single Helmholtz boundary integral equation for exterior boundary-value problems. The strongly singular and hypersingular integrals in the sensitivity equations can be evaluated explicitly and directly by using the piecewise constant discretization. The iterative solver GMRES is applied to accelerate the solution of the linear system of equations. A set of optimal parameters for the wideband FMBEM design sensitivity analysis are obtained by observing the performances of the wideband FMM algorithm in terms of computing time and memory usage. Numerical examples are presented to demonstrate the efficiency and validity of the proposed algorithm.

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.

Planck intermediate results: XXX. The angular power spectrum of polarized dust emission at intermediate and high Galactic latitudes

DOE PAGES

Adam, R.; Ade, P. A. R.; Aghanim, N.; ...

2016-02-09

The polarized thermal emission from diffuse Galactic dust is the main foreground present in measurements of the polarization of the cosmic microwave background (CMB) at frequencies above 100 GHz. In this study we exploit the uniqueness of the Planck HFI polarization data from 100 to 353 GHz to measure the polarized dust angular power spectra C ℓ EE and C ℓ BB over the multipole range 40 ℓ ∝ ℓ α, with exponents α EE,BB = -2.42 ± 0.02. The amplitudes of the polarization power spectra vary with the average brightness in a way similar to the intensity power spectra.more » The frequency dependence of the dust polarization spectra is consistent with modified blackbody emission with β d = 1.59 and T d = 19.6 K down to the lowest Planck HFI frequencies. We find a systematic difference between the amplitudes of the Galactic B- and E-modes, C ℓ BB/C ℓ EE = 0.5. We verify that these general properties are preserved towards high Galactic latitudes with low dust column densities. We show that even in the faintest dust-emitting regions there are no “clean” windows in the sky where primordial CMB B-mode polarization measurements could be made without subtraction of foreground emission. Finally, we investigate the level of dust polarization in the specific field recently targeted by the BICEP2 experiment. Extrapolation of the Planck 353 GHz data to 150 GHz gives a dust power D ℓ BB ≡ ℓ(ℓ+1)C ℓ BB/(2π) of 1.32 × 10 -2 μK CMB 2 over the multipole range of the primordial recombination bump (40 -2 μK CMB 2 and there is an additional uncertainty (+0.28, -0.24) × 10 -2 μK CMB 2 from the extrapolation. Finally, this level is the same magnitude as reported by BICEP2 over this ℓ range, which highlights the need for assessment of the polarized dust signal even in the cleanest windows of the sky.« less

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.

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

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.

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.

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.

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

Fast Multipole / Wavelet-IML Hybrids for Electromagnetic Analysis

DTIC Science & Technology

2005-07-20

this project and honors/awards/degrees received - Mingyu Lu (Ph.D. granted in August 21, 2002; after that Post-doctoral Fellow on this project; he...Lu, K. Aygun, Mingyu Lu, and E. Michielssen, “Low frequency PWTD kernels”, To be submitted to Journal of Computational Physics, draft available upon...transient scattering phenomena involving large surfaces using integral equations. 18. M. Lu, K. Aygun, Mingyu Lu, and E. Michielssen, “Low frequency

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-.

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.

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.

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.

Refractive errors in low-income preschoolers.

PubMed

Brody, Barbara L; Roch-Levecq, Anne-Catherine; Klonoff-Cohen, Hillary S; Brown, Stuart I

2007-01-01

To estimate the overall prevalence of refractive errors in a study population of low-income preschoolers in San Diego County. The study sample included 507 preschool children selected from a study population of all 3-5 year-old children in Head Start and San Diego Unified School District preschools (74% Latino). The sample was examined by optometrists in the mobile clinic of the University of California, San Diego, Department of Ophthalmology with retinoscopy under cycloplegia to assess the presence of refractive errors defined as myopia >or=2D in 3-4 year-olds and >or=1D in > 4 year-olds; hyperopia >or=4D in 3-4 year-olds and >or=3D in > 4 year-olds; and astigmatism >or=1.75D in 3-4 year-olds and >or=1.5D in > 4 year-olds. Anisometropia was defined as >or=1.25D difference between the eyes. Emmetropia was defined as refractive errors below these levels. A total of 16% (n = 81 children) (95% confidence interval: 15.4-16.5) met study definitions of refractive errors in at least one eye. Myopia was found in 3%, (OD Mean Sphere = 2.4D); hyperopia in 7.5% (OD Mean Sphere = 3.8D); astigmatism in 5.5% (OD Mean Cylinder = 2.3D); and 84% were emmetropic (OD Mean Sphere = 1.3D). Hyperopia and astigmatism were the most frequent refractive errors in this sample of low-income preschoolers, most of whom were Latino.

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.

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.

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

Pearson's random walk in the space of the CMB phases: Evidence for parity asymmetry

NASA Astrophysics Data System (ADS)

Hansen, M.; Frejsel, A. M.; Kim, J.; Naselsky, P.; Nesti, F.

2011-05-01

The temperature fluctuations of the cosmic microwave background (CMB) are supposed to be distributed randomly in both magnitude and phase, following to the simplest model of inflation. In this paper, we look at the odd and even multipoles of the spherical harmonic decomposition of the CMB, and the different characteristics of these, giving rise to a parity asymmetry. We compare the even and odd multipoles in the CMB power spectrum, and also the even and odd mean angles. We find for the multipoles of the power spectrum that there is power excess in odd multipoles, compared to even ones, meaning that we have a parity asymmetry. Further, for the phases, we present a random walk for the mean angles, and find a significant separation for even/odd mean angles, especially so for galactic coordinates. This is further tested and confirmed with a directional parity test, comparing the parity asymmetry in galactic and ecliptic coordinates.

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.

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.

SU-G-BRB-11: On the Sensitivity of An EPID-Based 3D Dose Verification System to Detect Delivery Errors in VMAT Treatments

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

Gonzalez, P; Olaciregui-Ruiz, I; Mijnheer, B

2016-06-15

Purpose: To investigate the sensitivity of an EPID-based 3D dose verification system to detect delivery errors in VMAT treatments. Methods: For this study 41 EPID-reconstructed 3D in vivo dose distributions of 15 different VMAT plans (H&N, lung, prostate and rectum) were selected. To simulate the effect of delivery errors, their TPS plans were modified by: 1) scaling of the monitor units by ±3% and ±6% and 2) systematic shifting of leaf bank positions by ±1mm, ±2mm and ±5mm. The 3D in vivo dose distributions where then compared to the unmodified and modified treatment plans. To determine the detectability of themore » various delivery errors, we made use of a receiver operator characteristic (ROC) methodology. True positive and false positive rates were calculated as a function of the γ-parameters γmean, γ1% (near-maximum γ) and the PTV dose parameter ΔD{sub 50} (i.e. D{sub 50}(EPID)-D{sub 50}(TPS)). The ROC curve is constructed by plotting the true positive rate vs. the false positive rate. The area under the ROC curve (AUC) then serves as a measure of the performance of the EPID dosimetry system in detecting a particular error; an ideal system has AUC=1. Results: The AUC ranges for the machine output errors and systematic leaf position errors were [0.64 – 0.93] and [0.48 – 0.92] respectively using γmean, [0.57 – 0.79] and [0.46 – 0.85] using γ1% and [0.61 – 0.77] and [ 0.48 – 0.62] using ΔD{sub 50}. Conclusion: For the verification of VMAT deliveries, the parameter γmean is the best discriminator for the detection of systematic leaf position errors and monitor unit scaling errors. Compared to γmean and γ1%, the parameter ΔD{sub 50} performs worse as a discriminator in all cases.« less

Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane.

PubMed

Langner, Karol M; Kedzierski, Pawel; Sokalski, W Andrzej; Leszczynski, Jerzy

2006-05-18

On the basis of the crystallographic structures of three nucleic acid intercalation complexes involving ethidium and proflavine, we have analyzed the interaction energies between intercalator chromophores and their four nearest bases, using a hybrid variation-perturbation method at the second-order Møller-Plesset theory level (MP2) with a 6-31G(d,p) basis set. A total MP2 interaction energy minimum precisely reproduces the crystallographic position of the ethidium chromophore in the intercalation plane between UA/AU bases. The electrostatic component constitutes the same fraction of the total energy for all three studied structures. The multipole electrostatic interaction energy, calculated from cumulative atomic multipole moments (CAMMs), was found to converge only after including components above the fifth order. CAMM interaction surfaces, calculated on grids in the intercalation planes of these structures, reasonably reproduce the alignment of intercalators in crystal structures; they exhibit additional minima in the direction of the DNA grooves, however, which also need to be examined at higher theory levels if no crystallographic data are given.

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.

Intertester agreement in refractive error measurements.

PubMed

Huang, Jiayan; Maguire, Maureen G; Ciner, Elise; Kulp, Marjean T; Quinn, Graham E; Orel-Bixler, Deborah; Cyert, Lynn A; Moore, Bruce; Ying, Gui-Shuang

2013-10-01

To determine the intertester agreement of refractive error measurements between lay and nurse screeners using the Retinomax Autorefractor and the SureSight Vision Screener. Trained lay and nurse screeners measured refractive error in 1452 preschoolers (3 to 5 years old) using the Retinomax and the SureSight in a random order for screeners and instruments. Intertester agreement between lay and nurse screeners was assessed for sphere, cylinder, and spherical equivalent (SE) using the mean difference and the 95% limits of agreement. The mean intertester difference (lay minus nurse) was compared between groups defined based on the child's age, cycloplegic refractive error, and the reading's confidence number using analysis of variance. The limits of agreement were compared between groups using the Brown-Forsythe test. Intereye correlation was accounted for in all analyses. The mean intertester differences (95% limits of agreement) were -0.04 (-1.63, 1.54) diopter (D) sphere, 0.00 (-0.52, 0.51) D cylinder, and -0.04 (1.65, 1.56) D SE for the Retinomax and 0.05 (-1.48, 1.58) D sphere, 0.01 (-0.58, 0.60) D cylinder, and 0.06 (-1.45, 1.57) D SE for the SureSight. For either instrument, the mean intertester differences in sphere and SE did not differ by the child's age, cycloplegic refractive error, or the reading's confidence number. However, for both instruments, the limits of agreement were wider when eyes had significant refractive error or the reading's confidence number was below the manufacturer's recommended value. Among Head Start preschool children, trained lay and nurse screeners agree well in measuring refractive error using the Retinomax or the SureSight. Both instruments had similar intertester agreement in refractive error measurements independent of the child's age. Significant refractive error and a reading with low confidence number were associated with worse intertester agreement.

3-D acoustic waveform simulation and inversion supplemented by infrasound sensors on a tethered weather balloon at Yasur Volcano, Vanuatu

NASA Astrophysics Data System (ADS)

Iezzi, A. M.; Fee, D.; Matoza, R. S.; Jolly, A. D.; Kim, K.; Christenson, B. W.; Johnson, R.; Kilgour, G.; Garaebiti, E.; Austin, A.; Kennedy, B.; Fitzgerald, R.; Gomez, C.; Key, N.

2017-12-01

Well-constrained acoustic waveform inversion can provide robust estimates of erupted volume and mass flux, increasing our ability to monitor volcanic emissions (potentially in real-time). Previous studies have made assumptions about the multipole source mechanism, which can be represented as the combination of pressure fluctuations from a volume change, directionality, and turbulence. The vertical dipole has not been addressed due to ground-based recording limitations. In this study we deployed a high-density seismo-acoustic network around Yasur Volcano, Vanuatu, including multiple acoustic sensors along a tethered balloon that was moved every 15-60 minutes. Yasur has frequent strombolian eruptions every 1-4 minutes from any one of three active vents within a 400 m diameter crater. Our experiment captured several explosions from each vent at 38 tether locations covering 200 in azimuth and a take-off range of 50 (Jolly et. al., in review). Additionally, FLIR, FTIR, and a variety of visual imagery were collected during the deployment to aid in the seismo-acoustic interpretations. The third dimension (vertical) of pressure sensor coverage allows us to more completely constrain the acoustic source. Our analysis employs Finite-Difference Time-Domain (FDTD) modeling to obtain the full 3-D Green's functions for each propagation path. This method, following Kim et al. (2015), takes into account realistic topographic scattering based on a high-resolution digital elevation model created using structure-from-motion techniques. We then invert for the source location and multipole source-time function using a grid-search approach. We perform this inversion for multiple events from vents A and C to examine the source characteristics of the vents, including an infrasound-derived volume flux as a function of time. These volumes fluxes are then compared to those derived independently from geochemical and seismic inversion techniques. Jolly, A., Matoza, R., Fee, D., Kennedy, B., Iezzi, A., Fitzgerald, R., Austin, A., & Johnson, R. (in review). Kim, K., Fee, D., Yokoo, A., & Lees, J. M. (2015). Acoustic source inversion to estimate volume flux from volcanic explosions. Geophysical Research Letters, 42(13), 5243-5249.

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

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.

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

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

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.

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

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.

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.

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.

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.

Prevalence of refractive error among preschool children in an urban population: the Baltimore Pediatric Eye Disease Study.

PubMed

Giordano, Lydia; Friedman, David S; Repka, Michael X; Katz, Joanne; Ibironke, Josephine; Hawes, Patricia; Tielsch, James M

2009-04-01

To determine the age-specific prevalence of refractive errors in white and African-American preschool children. The Baltimore Pediatric Eye Disease Study is a population-based evaluation of the prevalence of ocular disorders in children aged 6 to 71 months in Baltimore, Maryland. Among 4132 children identified, 3990 eligible children (97%) were enrolled and 2546 children (62%) were examined. Cycloplegic autorefraction was attempted in all children with the use of a Nikon Retinomax K-Plus 2 (Nikon Corporation, Tokyo, Japan). If a reliable autorefraction could not be obtained after 3 attempts, cycloplegic streak retinoscopy was performed. Mean spherical equivalent (SE) refractive error, astigmatism, and prevalence of higher refractive errors among African-American and white children. The mean SE of right eyes was +1.49 diopters (D) (standard deviation [SD] = 1.23) in white children and +0.71 D (SD = 1.35) in African-American children (mean difference of 0.78 D; 95% confidence interval [CI], 0.67-0.89). Mean SE refractive error did not decline with age in either group. The prevalence of myopia of 1.00 D or more in the eye with the lesser refractive error was 0.7% in white children and 5.5% in African-American children (relative risk [RR], 8.01; 95% CI, 3.70-17.35). The prevalence of hyperopia of +3 D or more in the eye with the lesser refractive error was 8.9% in white children and 4.4% in African-American children (RR, 0.49; 95% CI, 0.35-0.68). The prevalence of emmetropia (<-1.00 D to <+1.00 D) was 35.6% in white children and 58.0% in African-American children (RR, 1.64; 95% CI, 1.49-1.80). On the basis of published prescribing guidelines, 5.1% of the children would have benefited from spectacle correction. However, only 1.3% had been prescribed correction. Significant refractive errors are uncommon in this population of urban preschool children. There was no evidence for a myopic shift over this age range in this cross-sectional study. A small proportion of preschool children would likely benefit from refractive correction, but few have had this prescribed.

Adaptive Identification of Fluid-Dynamic Systems

DTIC Science & Technology

2001-06-14

Fig. 1. Unknown System Adaptive Filter Σ _ + Input u Filter Output y Desired Output d Error e Fig. 1. Modeling of a SISO system using...2J E e n =   (12) Here [ ]. E is the expectation operator and ( ) ( ) ( ) e n d n y n= − is the error between the desired system output and...B … input vector ( ) ( ) ( ) ( )[ ], , ,1 1 Tn u n u n u n N= − − +U … output and error ( ) ( ) ( ) ( ) ( ) ( ) ( ) T T y n n n e n d n n n

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.

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

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.

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

NASA Astrophysics Data System (ADS)

Poursina, Mohammad; Anderson, Kurt S.

2014-08-01

This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method.

Global Dynamic Numerical Simulations of Plate Tectonic Reorganizations

NASA Astrophysics Data System (ADS)

Morra, G.; Quevedo, L.; Butterworth, N.; Matthews, K. J.; Müller, D.

2010-12-01

We use a new numerical approach for global geodynamics to investigate the origin of present global plate motion and to identify the causes of the last two global tectonic reorganizations occurred about 50 and 100 million years ago (Ma) [1]. While the 50 Ma event is the most well-known global plate-mantle event, expressed by the bend in the Hawaiian-Emperor volcanic chain, a prominent plate reorganization at about 100 Ma, although presently little studied, is clearly indicated by a major bend in the fracture zones in the Indian Ocean and by a change in Pacific plate motion [2]. Our workflow involves turning plate reconstructions into surface meshes that are subsequently employed as initial conditions for global Boundary Element numerical models. The tectonic setting that anticipates the reorganizations is processed with the software GPlates, combining the 3D mesh of the paleo-plate morphology and the reconstruction of paleo-subducted slabs, elaborated from tectonic history [3]. All our models involve the entire planetary system, are fully dynamic, have free surface, are characterized by a spectacular computational speed due to the simultaneous use of the multi-pole algorithm and the Boundary Element formulation and are limited only by the use of sharp material property variations [4]. We employ this new tool to unravel the causes of plate tectonic reorganizations, producing and comparing global plate motion with the reconstructed ones. References: [1] Torsvik, T., Müller, R.D., Van der Voo, R., Steinberger, B., and Gaina, C., 2008, Global Plate Motion Frames: Toward a unified model: Reviews in Geophysics, VOL. 46, RG3004, 44 PP., 2008 [2] Wessel, P. and Kroenke, L.W. Pacific absolute plate motion since 145 Ma: An assessment of the fixed hot spot hypothesis. Journal of Geophysical Research, Vol 113, B06101, 2008 [3] L. Quevedo, G. Morra, R. D. Mueller. Parallel Fast Multipole Boundary Element Method for Crustal Dynamics, Proceeding 9th World Congress and 4th Asian Pacific Congress on Computational Mechanics, July 2010, iopscience.iop.org/1757-899X/10/1/012012. [4] G. Morra, P. Chatelain, P. Tackley and P. Koumoutzakos, 2007, Large scale three-dimensional boundary element simulation of subduction, in Proceeding International Conference on Computational Science - Part III, LNCS 4489, pp. 1122-1129. Interaction between two subducting slabs.

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

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.

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.

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.

Relative Error Evaluation to Typical Open Global dem Datasets in Shanxi Plateau of China

NASA Astrophysics Data System (ADS)

Zhao, S.; Zhang, S.; Cheng, W.

2018-04-01

Produced by radar data or stereo remote sensing image pairs, global DEM datasets are one of the most important types for DEM data. Relative error relates to surface quality created by DEM data, so it relates to geomorphology and hydrologic applications using DEM data. Taking Shanxi Plateau of China as the study area, this research evaluated the relative error to typical open global DEM datasets including Shuttle Radar Terrain Mission (SRTM) data with 1 arc second resolution (SRTM1), SRTM data with 3 arc second resolution (SRTM3), ASTER global DEM data in the second version (GDEM-v2) and ALOS world 3D-30m (AW3D) data. Through process and selection, more than 300,000 ICESat/GLA14 points were used as the GCP data, and the vertical error was computed and compared among four typical global DEM datasets. Then, more than 2,600,000 ICESat/GLA14 point pairs were acquired using the distance threshold between 100 m and 500 m. Meanwhile, the horizontal distance between every point pair was computed, so the relative error was achieved using slope values based on vertical error difference and the horizontal distance of the point pairs. Finally, false slope ratio (FSR) index was computed through analyzing the difference between DEM and ICESat/GLA14 values for every point pair. Both relative error and FSR index were categorically compared for the four DEM datasets under different slope classes. Research results show: Overall, AW3D has the lowest relative error values in mean error, mean absolute error, root mean square error and standard deviation error; then the SRTM1 data, its values are a little higher than AW3D data; the SRTM3 and GDEM-v2 data have the highest relative error values, and the values for the two datasets are similar. Considering different slope conditions, all the four DEM data have better performance in flat areas but worse performance in sloping regions; AW3D has the best performance in all the slope classes, a litter better than SRTM1; with slope increasing, the relative error for the SRTM3 data increases faster than other DEM datasets; so SRTM3 is better than GDEM-v2 in flat regions but worse in sloping regions. As to FSR value, AW3D has the lowest value, 4.37 %; then SRTM1 data, 5.80 %, similar to AW3D data; SRTM3 has higher value, about 8.27 %; GDEM-v2 data has the highest FSR value, about 12.15 %. FSR can represent the performance of correctly creating the earth surface based on DEM data. Hence, AW3D has the best performance, which is approximate to but a little better than SRTM1. The performance of SRTM3 and GDEM-v2 is similar, which is much worse than AW3D and SRTM1, and the performance of GDEM-v2 is the worst of all. Originated from the DEM dataset with 5m resolution, AW3D is regarded as the most precise global DEM datasets up to now, so it may exerts more effect in topographic analysis and geographic research. Through analysis and comparison of the relative error for the four open global DEM datasets, this research will provide reference in open global DEM datasets selection and applications in geosciences and other relevant fields.

Revisiting the hypothesis of equating the 6-year oscillation in the length-of-day to the mantle-inner core gravitational coupling

NASA Astrophysics Data System (ADS)

Chao, B. F.

2016-12-01

The steady 6-year oscillation observed in the length-of-day variation (ΔLOD) has been postulated to be, among others, an intrinsic oscillatory mode of the Earth's axial spin due to the mantle-inner core gravitational (MICG) coupling [Buffett and Mound, 2005]. Here I develop the general equation of motion of the 3-D MICG system from first principles in terms of multipole-multipole interactions (as in molecular electric field) under simple but realistic assumptions including the buoyancy effect of the fluid outer core. When specialized to the governing of the simple-harmonic oscillation in ΔLOD, the restoring force thereof is predominated, not surprisingly, by the [degree-2, order-2] density anomalies in the lower mantle and the upper inner core. Equating the corresponding "spring constant" to that belonging to the 6-year ΔLOD oscillation, one can estimate the difference between the two inner-core equatorial principal moments of inertia to be (BIC-AIC) ≈ 1.08 x 1031 kg m2 accurate perhaps to within a factor of 2, or a tri-axiality factor about 8 times larger than that of the whole Earth. Moreover, the orientation of the two principal axes can be identified in accordance with the timing of the 6-year ΔLOD oscillation. The physical excitation of the 6-year ΔLOD oscillation, ±0.12 ms in amplitude, is beyond the present scope.

Measurements of E-mode polarization and temperature-E-mode correlation in the cosmic microwave background from 100 square degrees of SPTPOL data

DOE PAGES

Crites, A. T.; Henning, J. W.; Ade, P. A. R.; ...

2015-05-18

Here, we present measurements ofmore » $E$-mode polarization and temperature-$E$$-mode correlation in the cosmic microwave background (CMB) using data from the first season of observations with SPTpol, the polarization-sensitive receiver currently installed on the South Pole Telescope (SPT). The observations used in this work cover 100~\\sqdeg\\ of sky with arcminute resolution at $$150\\,$GHz. We also report the $E$-mode angular auto-power spectrum ($EE$) and the temperature-$E$-mode angular cross-power spectrum ($TE$) over the multipole range $$500 < \\ell \\leq5000$$. These power spectra improve on previous measurements in the high-$$\\ell$$ (small-scale) regime. We fit the combination of the SPTpol power spectra, data from \\planck\\, and previous SPT measurements with a six-parameter \\LCDM cosmological model. Furthermore, we find that the best-fit parameters are consistent with previous results. The improvement in high-$$\\ell$$ sensitivity over previous measurements leads to a significant improvement in the limit on polarized point-source power: after masking sources brighter than 50\\,mJy in unpolarized flux at 150\\,GHz, we find a 95\\% confidence upper limit on unclustered point-source power in the $EE$ spectrum of $$D_\\ell = \\ell (\\ell+1) C_\\ell / 2 \\pi < 0.40 \\ \\mu{\\mbox{K}}^2$$ at $$\\ell=3000$$, indicating that future $EE$ measurements will not be limited by power from unclustered point sources in the multipole range $$\\ell < 3600$$, and possibly much higher in $$\\ell.$$« less

Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals.

PubMed

Nessler, Ian J; Litman, Jacob M; Schnieders, Michael J

2016-11-09

First principles prediction of the structure, thermodynamics and solubility of organic molecular crystals, which play a central role in chemical, material, pharmaceutical and engineering sciences, challenges both potential energy functions and sampling methodologies. Here we calculate absolute crystal deposition thermodynamics using a novel dual force field approach whose goal is to maintain the accuracy of advanced multipole force fields (e.g. the polarizable AMOEBA model) while performing more than 95% of the sampling in an inexpensive fixed charge (FC) force field (e.g. OPLS-AA). Absolute crystal sublimation/deposition phase transition free energies were determined using an alchemical path that grows the crystalline state from a vapor reference state based on sampling with the OPLS-AA force field, followed by dual force field thermodynamic corrections to change between FC and AMOEBA resolutions at both end states (we denote the three step path as AMOEBA/FC). Importantly, whereas the phase transition requires on the order of 200 ns of sampling per compound, only 5 ns of sampling was needed for the dual force field thermodynamic corrections to reach a mean statistical uncertainty of 0.05 kcal mol -1 . For five organic compounds, the mean unsigned error between direct use of AMOEBA and the AMOEBA/FC dual force field path was only 0.2 kcal mol -1 and not statistically significant. Compared to experimental deposition thermodynamics, the mean unsigned error for AMOEBA/FC (1.4 kcal mol -1 ) was more than a factor of two smaller than uncorrected OPLS-AA (3.2 kcal mol -1 ). Overall, the dual force field thermodynamic corrections reduced condensed phase sampling in the expensive force field by a factor of 40, and may prove useful for protein stability or binding thermodynamics in the future.

SU-D-BRA-03: Analysis of Systematic Errors with 2D/3D Image Registration for Target Localization and Treatment Delivery in Stereotactic Radiosurgery

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

Xu, H; Chetty, I; Wen, N

Purpose: Determine systematic deviations between 2D/3D and 3D/3D image registrations with six degrees of freedom (6DOF) for various imaging modalities and registration algorithms on the Varian Edge Linac. Methods: The 6DOF systematic errors were assessed by comparing automated 2D/3D (kV/MV vs. CT) with 3D/3D (CBCT vs. CT) image registrations from different imaging pairs, CT slice thicknesses, couch angles, similarity measures, etc., using a Rando head and a pelvic phantom. The 2D/3D image registration accuracy was evaluated at different treatment sites (intra-cranial and extra-cranial) by statistically analyzing 2D/3D pre-treatment verification against 3D/3D localization of 192 Stereotactic Radiosurgery/Stereotactic Body Radiation Therapy treatmentmore » fractions for 88 patients. Results: The systematic errors of 2D/3D image registration using kV-kV, MV-kV and MV-MV image pairs using 0.8 mm slice thickness CT images were within 0.3 mm and 0.3° for translations and rotations with a 95% confidence interval (CI). No significant difference between 2D/3D and 3D/3D image registrations (P>0.05) was observed for target localization at various CT slice thicknesses ranging from 0.8 to 3 mm. Couch angles (30, 45, 60 degree) did not impact the accuracy of 2D/3D image registration. Using pattern intensity with content image filtering was recommended for 2D/3D image registration to achieve the best accuracy. For the patient study, translational error was within 2 mm and rotational error was within 0.6 degrees in terms of 95% CI for 2D/3D image registration. For intra-cranial sites, means and std. deviations of translational errors were −0.2±0.7, 0.04±0.5, 0.1±0.4 mm for LNG, LAT, VRT directions, respectively. For extra-cranial sites, means and std. deviations of translational errors were - 0.04±1, 0.2±1, 0.1±1 mm for LNG, LAT, VRT directions, respectively. 2D/3D image registration uncertainties for intra-cranial and extra-cranial sites were comparable. Conclusion: The Varian Edge radiosurgery 6DOF-based system, can perform 2D/3D image registration with high accuracy for target localization in image-guided stereotactic radiosurgery. The work was supported by a Research Scholar Grant, RSG-15-137-01-CCE from the American Cancer Society.« less

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

Self-test web-based pure-tone audiometry: validity evaluation and measurement error analysis.

PubMed

Masalski, Marcin; Kręcicki, Tomasz

2013-04-12

Potential methods of application of self-administered Web-based pure-tone audiometry conducted at home on a PC with a sound card and ordinary headphones depend on the value of measurement error in such tests. The aim of this research was to determine the measurement error of the hearing threshold determined in the way described above and to identify and analyze factors influencing its value. The evaluation of the hearing threshold was made in three series: (1) tests on a clinical audiometer, (2) self-tests done on a specially calibrated computer under the supervision of an audiologist, and (3) self-tests conducted at home. The research was carried out on the group of 51 participants selected from patients of an audiology outpatient clinic. From the group of 51 patients examined in the first two series, the third series was self-administered at home by 37 subjects (73%). The average difference between the value of the hearing threshold determined in series 1 and in series 2 was -1.54dB with standard deviation of 7.88dB and a Pearson correlation coefficient of .90. Between the first and third series, these values were -1.35dB±10.66dB and .84, respectively. In series 3, the standard deviation was most influenced by the error connected with the procedure of hearing threshold identification (6.64dB), calibration error (6.19dB), and additionally at the frequency of 250Hz by frequency nonlinearity error (7.28dB). The obtained results confirm the possibility of applying Web-based pure-tone audiometry in screening tests. In the future, modifications of the method leading to the decrease in measurement error can broaden the scope of Web-based pure-tone audiometry application.

SU-E-T-20: A Correlation Study of 2D and 3D Gamma Passing Rates for Prostate IMRT Plans

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

Zhang, D; Sun Yat-sen University Cancer Center, Guangzhou, Guangdong; Wang, B

2015-06-15

Purpose: To investigate the correlation between the two-dimensional gamma passing rate (2D %GP) and three-dimensional gamma passing rate (3D %GP) in prostate IMRT quality assurance. Methods: Eleven prostate IMRT plans were randomly selected from the clinical database and were used to obtain dose distributions in the phantom and patient. Three types of delivery errors (MLC bank sag errors, central MLC errors and monitor unit errors) were intentionally introduced to modify the clinical plans through an in-house Matlab program. This resulted in 187 modified plans. The 2D %GP and 3D %GP were analyzed using different dose-difference and distance-toagreement (1%-1mm, 2%-2mm andmore » 3%-3mm) and 20% dose threshold. The 2D %GP and 3D %GP were then compared not only for the whole region, but also for the PTVs and critical structures using the statistical Pearson’s correlation coefficient (γ). Results: For different delivery errors, the average comparison of 2D %GP and 3D %GP showed different conclusions. The statistical correlation coefficients between 2D %GP and 3D %GP for the whole dose distribution showed that except for 3%/3mm criterion, 2D %GP and 3D %GP of 1%/1mm criterion and 2%/2mm criterion had strong correlations (Pearson’s γ value >0.8). Compared with the whole region, the correlations of 2D %GP and 3D %GP for PTV were better (the γ value for 1%/1mm, 2%/2mm and 3%/3mm criterion was 0.959, 0.931 and 0.855, respectively). However for the rectum, there was no correlation between 2D %GP and 3D %GP. Conclusion: For prostate IMRT, the correlation between 2D %GP and 3D %GP for the PTV is better than that for normal structures. The lower dose-difference and DTA criterion shows less difference between 2D %GP and 3D %GP. Other factors such as the dosimeter characteristics and TPS algorithm bias may also influence the correlation between 2D %GP and 3D %GP.« 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.

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.

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.

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.

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.

A systematic study of basis set, electron correlation, and geometry effects on the electric multipole moments, polarizability, and hyperpolarizability of HCl

NASA Astrophysics Data System (ADS)

Maroulis, George

1998-04-01

The electric multipole moments, dipole and quadrupole polarizability and hyperpolarizability of hydrogen chloride have been determined from an extensive and systematic study based on finite-field fourth-order many-body perturbation theory and coupled-cluster calculations. Our best values for the dipole, quadrupole, octopole and hexadecapole moment at the experimental internuclear separation of Re=2.408645a0 are μ=0.4238ea0, Θ=2.67ea02, Ω=3.94ea03, and Φ=13.37ea04, respectively. For the mean and the anisotropy of the dipole polarizability ααβ we recommend ᾱ=17.41±0.02 and Δα=1.60±0.03e2a02Eh-1. For the mean value of the first dipole hyperpolarizability βαβγ we advance β¯=-6.8±0.3e3a03Eh-2. Extensive calculations with a [8s6p6d3f/5s4p2d1f] basis set at the CCSD(T) level of theory yield the R-dependence of the Cartesian components and the mean of the second dipole hyperpolarizability γαβγδ(R)/e4a04Eh-3 around Re as γzzzz(R)=1907+1326(R-Re)+570(R-Re)2+10(R-Re)3-40(R-Re)4, γxxxx(R)=3900+747(R-Re)-65(R-Re)2-38(R-Re)3-7(R-Re)4, γxxzz(R)=962+222(R-Re)+88(R-Re)2+49(R-Re)3+5(R-Re)4, γ¯(R)=3230+841(R-Re)+151(R-Re)2+21(R-Re)3-9(R-Re)4, with z as the molecular axis. The present investigation suggests an estimate of (26.7±0.3)×102e4a04Eh-3 for the Hartree-Fock limit of the mean value γ¯ at Re. CCSD(T) calculations with basis sets of [8s6p6d3f/5s4p2d1f] and [9s7p5d4f/6s5p4d1f] size and MP4 calculations with the even larger [15s12p7d3f/12s7p2d1f] give (7.0±0.3)×102e4a04Eh-3 for the electron correlation effects for this property, thus leading to a recommended value of γ¯=(33.7±0.6)×102e4a04Eh-3. For the quadrupole polarizability Cαβ,γδ/e2a04Eh-1 at Re our best values are Czz,zz=41.68, Cxz,xz=26.11, and Cxx,xx=35.38, calculated with the [9s7p5d4f/6s5p4d1f] basis set at the CCSD(T) level of theory. The following CCSD(T) values were obtained with [8s6p6d3f/5s4p2d1f] at Re: dipole-quadrupole polarizability Aα,βγ/e2a03Eh-1, Az,zz=14.0, and Ax,zx=3.75, dipole-octopole polarizability Eα,βγδ/e2a04Eh-1, Ez,zzz=20.0, and Ex,xxx=3.0, and dipole-dipole-quadrupole hyperpolarizability Bαβ,γδ/e3a04Eh-2, Bzz,zz=-277, Bxz,xz=-261, Bxx,zz=246, and Bxx,xx=-416. A comparison of the mean polarizability and hyperpolarizability of some 18-electron systems shows that ᾱ(H2S)>ᾱ(HCl)>ᾱ(HOOH)>ᾱ(HOF)>ᾱ(Ar)>ᾱ(F2), and γ¯(H2S)>γ¯(HCl)>γ¯(HOOH)>γ¯(HOF)≈γ¯(Ar)>γ¯(F2).

Prevalence of Refractive Error among Preschool Children in an Urban Population: The Baltimore Pediatric Eye Disease Study

PubMed Central

Giordano, Lydia; Friedman, David S.; Repka, Michael X.; Katz, Joanne; Ibironke, Josephine; Hawes, Patricia; Tielsch, James M.

2009-01-01

Purpose To determine the age-specific prevalence of refractive errors in White and African-American preschool children. Design The Baltimore Pediatric Eye Disease Study is a population-based evaluation of the prevalence of ocular disorders in children aged six through 71 months in Baltimore, Maryland, United States. Participants Among 4,132 children identified, 3,990 eligible children (97%) were enrolled and 2,546 children (62%) were examined. Methods Cycloplegic autorefraction was attempted on all children using a Nikon Retinomax K-Plus 2. If a reliable autorefraction could not be obtained after three attempts, cycloplegic streak retinoscopy was performed. Main Outcome Measures Mean spherical equivalent (SE) refractive error, astigmatism, and prevalence of higher refractive errors among African American and White children. Results The mean spherical equivalent (SE) of right eyes was +1.49 diopter (D) (standard deviation (SD) =1.23) in White and +0.71D (SD=1.35) in African-American children (mean difference of 0.78D, 95% CI: 0.67, 0.89). Mean SE refractive error did not decline with age in either group. The prevalence of myopia of 1.00 D or more in the eye with the lesser refractive error was 0.7% in White and 5.5% in African-American children (RR: 8.01 95% confidence interval (CI): 3.70, 17.35). The prevalence of hyperopia of +3D or more in the eye with the lesser refractive error was 8.9% in White and 4.4% in African-American children (relative risk (RR): 0.49, 95% CI: 0.35, 0.68). The prevalence of emmetropia (less than −1.00 D to less than +1.00 D) was 35.6% in Whites and 58.0 % in African-Americans (RR: 1.64, 95% CI: 1.49, 1.80). Based on published prescribing guidelines 5.1% of the children would have benefited from spectacle correction. However, only 1.3% had been previously prescribed correction. Conclusions Significant refractive errors are uncommon in this population of urban preschool children. There was no evidence for a myopic shift over this age range in this cross-sectional study. A small proportion of preschool children would likely benefit from refractive correction, but few have had this prescribed. PMID:19243832

The vertical variability of hyporheic fluxes inferred from riverbed temperature data

NASA Astrophysics Data System (ADS)

Cranswick, Roger H.; Cook, Peter G.; Shanafield, Margaret; Lamontagne, Sebastien

2014-05-01

We present detailed profiles of vertical water flux from the surface to 1.2 m beneath the Haughton River in the tropical northeast of Australia. A 1-D numerical model is used to estimate vertical flux based on raw temperature time series observations from within downwelling, upwelling, neutral, and convergent sections of the hyporheic zone. A Monte Carlo analysis is used to derive error bounds for the fluxes based on temperature measurement error and uncertainty in effective thermal diffusivity. Vertical fluxes ranged from 5.7 m d-1 (downward) to -0.2 m d-1 (upward) with the lowest relative errors for values between 0.3 and 6 m d-1. Our 1-D approach provides a useful alternative to 1-D analytical and other solutions because it does not incorporate errors associated with simplified boundary conditions or assumptions of purely vertical flow, hydraulic parameter values, or hydraulic conditions. To validate the ability of this 1-D approach to represent the vertical fluxes of 2-D flow fields, we compare our model with two simple 2-D flow fields using a commercial numerical model. These comparisons showed that: (1) the 1-D vertical flux was equivalent to the mean vertical component of flux irrespective of a changing horizontal flux; and (2) the subsurface temperature data inherently has a "spatial footprint" when the vertical flux profiles vary spatially. Thus, the mean vertical flux within a 2-D flow field can be estimated accurately without requiring the flow to be purely vertical. The temperature-derived 1-D vertical flux represents the integrated vertical component of flux along the flow path intersecting the observation point. This article was corrected on 6 JUN 2014. See the end of the full text for details.

Planck intermediate results. XXX. The angular power spectrum of polarized dust emission at intermediate and high Galactic latitudes

NASA Astrophysics Data System (ADS)

Planck Collaboration; Adam, R.; Ade, P. A. R.; Aghanim, N.; Arnaud, M.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Bartolo, N.; Battaner, E.; Benabed, K.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bracco, A.; Bucher, M.; Burigana, C.; Butler, R. C.; Calabrese, E.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.-R.; Chiang, H. C.; Christensen, P. R.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; 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.; Ducout, A.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Falgarone, E.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Frejsel, A.; Galeotta, S.; Galli, S.; Ganga, K.; Ghosh, T.; Giard, M.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Guillet, V.; Hansen, F. K.; Hanson, D.; Harrison, D. L.; Helou, G.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hivon, E.; Hobson, M.; Holmes, W. A.; Huffenberger, K. M.; Hurier, G.; 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.; Krachmalnicoff, N.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Lawrence, C. R.; Leahy, J. P.; Leonardi, R.; Lesgourgues, J.; Levrier, F.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Maino, D.; Mandolesi, N.; Mangilli, A.; Maris, M.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Mazzotta, P.; Meinhold, P. R.; Melchiorri, A.; Mendes, L.; Mennella, A.; Migliaccio, 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.; Pagano, L.; Pajot, F.; Paladini, R.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Perrotta, F.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Popa, L.; Pratt, G. W.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reach, W. T.; Rebolo, R.; Remazeilles, M.; Renault, C.; Renzi, A.; Ricciardi, S.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Rossetti, M.; Roudier, G.; Rouillé d'Orfeuil, B.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Soler, J. D.; Spencer, L. D.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sunyaev, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Tuovinen, J.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vibert, L.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Watson, R.; Wehus, I. K.; White, M.; White, S. D. M.; Yvon, D.; Zacchei, A.; Zonca, A.

2016-02-01

The polarized thermal emission from diffuse Galactic dust is the main foreground present in measurements of the polarization of the cosmic microwave background (CMB) at frequencies above 100 GHz. In this paper we exploit the uniqueness of the Planck HFI polarization data from 100 to 353 GHz to measure the polarized dust angular power spectra CℓEE and CℓBB over the multipole range 40 <ℓ< 600 well away from the Galactic plane. These measurements will bring new insights into interstellar dust physics and allow a precise determination of the level of contamination for CMB polarization experiments. Despite the non-Gaussian and anisotropic nature of Galactic dust, we show that general statistical properties of the emission can be characterized accurately over large fractions of the sky using angular power spectra. The polarization power spectra of the dust are well described by power laws in multipole, Cℓ ∝ ℓα, with exponents αEE,BB = -2.42 ± 0.02. The amplitudes of the polarization power spectra vary with the average brightness in a way similar to the intensity power spectra. The frequency dependence of the dust polarization spectra is consistent with modified blackbody emission with βd = 1.59 and Td = 19.6 K down to the lowest Planck HFI frequencies. We find a systematic difference between the amplitudes of the Galactic B- and E-modes, CℓBB/CℓEE = 0.5. We verify that these general properties are preserved towards high Galactic latitudes with low dust column densities. We show that even in the faintest dust-emitting regions there are no "clean" windows in the sky where primordial CMB B-mode polarization measurements could be made without subtraction of foreground emission. Finally, we investigate the level of dust polarization in the specific field recently targeted by the BICEP2 experiment. Extrapolation of the Planck 353 GHz data to 150 GHz gives a dust power 𝒟ℓBB ≡ ℓ(ℓ+1)CℓBB/(2π) of 1.32 × 10-2 μKCMB2 over the multipole range of the primordial recombination bump (40 <ℓ< 120); the statistical uncertainty is ± 0.29 × 10-2 μKCMB2 and there is an additional uncertainty (+0.28, -0.24) × 10-2 μKCMB2 from the extrapolation. This level is the same magnitude as reported by BICEP2 over this ℓ range, which highlights the need for assessment of the polarized dust signal even in the cleanest windows of the sky.

SU-E-T-132: Dosimetric Impact of Positioning Errors in Hypo-Fractionated Cranial Radiation Therapy Using Frameless Stereotactic BrainLAB System

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

Keeling, V; Jin, H; Ali, I

2014-06-01

Purpose: To determine dosimetric impact of positioning errors in the stereotactic hypo-fractionated treatment of intracranial lesions using 3Dtransaltional and 3D-rotational corrections (6D) frameless BrainLAB ExacTrac X-Ray system. Methods: 20 cranial lesions, treated in 3 or 5 fractions, were selected. An infrared (IR) optical positioning system was employed for initial patient setup followed by stereoscopic kV X-ray radiographs for position verification. 6D-translational and rotational shifts were determined to correct patient position. If these shifts were above tolerance (0.7 mm translational and 1° rotational), corrections were applied and another set of X-rays was taken to verify patient position. Dosimetric impact (D95, Dmin,more » Dmax, and Dmean of planning target volume (PTV) compared to original plans) of positioning errors for initial IR setup (XC: Xray Correction) and post-correction (XV: X-ray Verification) was determined in a treatment planning system using a method proposed by Yue et al. (Med. Phys. 33, 21-31 (2006)) with 3D-translational errors only and 6D-translational and rotational errors. Results: Absolute mean translational errors (±standard deviation) for total 92 fractions (XC/XV) were 0.79±0.88/0.19±0.15 mm (lateral), 1.66±1.71/0.18 ±0.16 mm (longitudinal), 1.95±1.18/0.15±0.14 mm (vertical) and rotational errors were 0.61±0.47/0.17±0.15° (pitch), 0.55±0.49/0.16±0.24° (roll), and 0.68±0.73/0.16±0.15° (yaw). The average changes (loss of coverage) in D95, Dmin, Dmax, and Dmean were 4.5±7.3/0.1±0.2%, 17.8±22.5/1.1±2.5%, 0.4±1.4/0.1±0.3%, and 0.9±1.7/0.0±0.1% using 6Dshifts and 3.1±5.5/0.0±0.1%, 14.2±20.3/0.8±1.7%, 0.0±1.2/0.1±0.3%, and 0.7±1.4/0.0±0.1% using 3D-translational shifts only. The setup corrections (XC-XV) improved the PTV coverage by 4.4±7.3% (D95) and 16.7±23.5% (Dmin) using 6D adjustment. Strong correlations were observed between translation errors and deviations in dose coverage for XC. Conclusion: The initial BrainLAB IR system based on rigidity of the mask-frame setup is not sufficient for accurate stereotactic positioning; however, with X-ray imageguidance sub-millimeter accuracy is achieved with negligible deviations in dose coverage. The angular corrections (mean angle summation=1.84°) are important and cause considerable deviations in dose coverage.« 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.

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

Conformations and charge distributions of diazocyclopropanes

NASA Astrophysics Data System (ADS)

Borges, Itamar, Jr.

Three diazo-substituted cyclopropane compounds, which have been suggested as new potential high energy compounds, were studied employing the B3LYP-DFT/6-31G(d,p) method. Geometries were optimized. Distributed multipole analysis, computed from the B3LYP-DFT/6-31G(d,p) density matrix, was used to describe the details of the molecular charge distribution of the three molecules. It was verified that electron withdrawing from the C ring atoms and charge build-up on the N atoms bonded to the ring increased with the number of diazo groups. These effects were related to increased sensitivity to impact and easiness of C bond N bond breaking in the three compounds.

Child Development and Refractive Errors in Preschool Children

PubMed Central

Ibironke, Josephine O.; Friedman, David S.; Repka, Michael X.; Katz, Joanne; Giordano, Lydia; Hawse, Patricia; Tielsch, James M.

2011-01-01

Purpose Many parents are concerned about their child's development. The purpose of this study is to determine if parental concerns about overall development are associated with significant refractive errors among urban preschool children. Methods A cross-sectional population-based study was conducted to evaluate the prevalence of ocular disorders in white and African American children 6 through 71 months of age in Baltimore, Maryland, United States. A comprehensive eye examination with cycloplegic refraction was performed. Parental concerns about development were measured with the Parents' Evaluation of Developmental Status screening tool. 2381 of 2546 eligible children (93.5%) completed the refraction and the parental interview. Results Parental concerns about development were present in 510 of the 2381 children evaluated (21.4%; 95% CI: 9.8% – 23.1%). The adjusted odds ratios [OR] of parental concerns with hyperopia (≥ 3.00D) was 1.26 (95% CI: 0.90 – 1.74), with myopia (≥ 1.00D) was 1.29 (95% CI: 0.83 – 2.03), with astigmatism (≥ 1.50D) was 1.44 (95% CI: 1.08 – 1.93) irrespective of the type of astigmatism, and with anisometropia ≥ 2.00D was 2.61 (95% CI: 1.07 – 6.34). The odds of parental concerns about development significantly increased in children older than 36 months with hyperopia ≥ 3.00D, astigmatism ≥ 1.50D, or anisometropia ≥ 2.00D. Conclusions Parental concerns about general developmental problems were associated with some types of refractive error, astigmatism ≥ 1.50D and anisometropia ≥ 2.00D in children ages 6 to 71 months. Parental concerns were also more likely in children older than 36 months of age with hypermetropia, astigmatism or anisometropia. Parental concerns were not associated with myopia. Due to the potential consequences of uncorrected refractive errors, children whose parents have expressed concerns regarding development should be referred for an eye examination with cycloplegic refraction to rule out significant refractive errors. PMID:21150680

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

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

Refractive errors among students occupying rooms lighted with incandescent or fluorescent lamps.

PubMed

Czepita, Damian; Gosławski, Wojciech; Mojsa, Artur

2004-01-01

The purpose of the study was to determine whether the development of refractive errors could be associated with exposure to light emitted by incandescent or fluorescent lamps. 3636 students were examined (1638 boys and 1998 girls, aged 6-18 years, mean age 12.1, SD 3.4). The examination included retinoscopy with cycloplegia. Myopia was defined as refractive error < or = -0.5 D, hyperopia as refractive error > or = +1.5 D, astigmatism as refractive error > 0.5 DC. Anisometropia was diagnosed when the difference in the refraction of both eyes was > 1.0 D. The children and their parents completed a questionnaire on exposure to light at home. Data were analyzed statistically with the chi2 test. P values of less than 0.05 were considered statistically significant. It was found that the use of fluorescent lamps was associated with an increase in the occurrence of hyperopia (P < 0.01). There was no association between sleeping with the light turned on and prevalence of refractive errors.

Theoretical investigation of excitonic magnetism in LaSrCoO4

NASA Astrophysics Data System (ADS)

Fernández Afonso, J.; Sotnikov, A.; Kuneš, J.

2018-04-01

We use the LDA+U approach to search for possible ordered ground states of LaSrCoO4. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co 3d interaction parameters. This ordered state can be described as a spin-density-wave-type condensate of dxy \\otimes dx^2-y^2 excitons carrying spin S  =  1. Further, we construct an effective strong-coupling model, calculate the exciton dispersion and investigate closing of the exciton gap, which marks the exciton condensation instability. Comparing the layered LaSrCoO4 with its pseudo cubic analog LaCoO3, we find that for the same interaction parameters the excitonic gap is smaller (possibly vanishing) in the layered cobaltite.

On the nature of Ni···Ni interaction in a model dimeric Ni complex.

PubMed

Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B; Woźniak, Krzysztof

2011-06-07

A new dinuclear complex (NiC(5)H(4)SiMe(2)CHCH(2))(2) (2) was prepared by reacting nickelocene derivative [(C(5)H(4)SiMe(2)CH=CH(2))(2)Ni] (1) with methyllithium (MeLi). Good quality crystals were subjected to a high-resolution X-ray measurement. Subsequent multipole refinement yielded accurate description of electron density distribution. Detailed inspection of experimental electron density in Ni···Ni contact revealed that the nickel atoms are bonded and significant deformation of the metal valence shell is related to different populations of the d-orbitals. The existence of the Ni···Ni bond path explains the lack of unpaired electrons in the complex due to a possible exchange channel.

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.

Neutral Pion Electroproduction in the Δ Resonance Region

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

Villano, Anthony

2007-11-01

The electroproduction of baryon resonances at high Q 2 is examined. Analysis focuses on the Δ(1232) resonance via exclusive pseudoscalar meson production of π 0 particles. Differential cross sections are extracted for exclusive π 0 electroproduction. In the central invariant mass (W) region the cross sections are used to extract resonant multipole amplitudes. In particular, the ratio of the electric quadrupole to magnetic dipole amplitudes (E2/M1) will be discussed for the Δ(1232) resonance. The transition to pQCD is discussed in terms of E2/M1 and other multipoles. The helicity amplitude A 3/2 can be used as a baryon helicity conservation meter in this context and will be discussed. The fast shrinking of the resonant contribution in the Δ region is observed at this high momentum transfer. Apart from the observables related to pQCD scaling, the transition form factor Gmore » $$*\\atop{M}$$ is extracted along with the scalar to magnetic dipole ratio C2/M1.« less

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

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.

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging.

PubMed

Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A

2015-02-05

As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G(**), B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol(-1), decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

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.

The impact of acquisition angle differences on three-dimensional quantitative coronary angiography.

PubMed

Tu, Shengxian; Holm, Niels R; Koning, Gerhard; Maeng, Michael; Reiber, Johan H C

2011-08-01

Three-dimensional (3D) quantitative coronary angiography (QCA) requires two angiographic views to restore vessel dimensions. This study investigated the impact of acquisition angle differences (AADs) of the two angiographic views on the assessed dimensions by 3D QCA. X-ray angiograms of an assembled brass phantom with different types of straight lesions were recorded at multiple angiographic projections. The projections were randomly matched as pairs and 3D QCA was performed in those pairs with AAD larger than 25°. The lesion length and diameter stenosis in three different lesions, a circular concentric severe lesion (A), a circular concentric moderate lesion (B), and a circular eccentric moderate lesion (C), were measured by 3D QCA. The acquisition protocol was repeated for a silicone bifurcation phantom, and the bifurcation angles and bifurcation core volume were measured by 3D QCA. The measurements were compared with the true dimensions if applicable and their correlation with AAD was studied. 50 matched pairs of angiographic views were analyzed for the brass phantom. The average value of AAD was 48.0 ± 14.1°. The percent diameter stenosis was slightly overestimated by 3D QCA for all lesions: A (error 1.2 ± 0.9%, P < 0.001); B (error 0.6 ± 0.5%, P < 0.001); C (error 1.1 ± 0.6%, P < 0.001). The correlation of the measurements with AAD was only significant for lesion A (R(2) = 0.151, P = 0.005). The lesion length was slightly overestimated by 3D QCA for lesion A (error 0.06 ± 0.18 mm, P = 0.026), but well assessed for lesion B (error -0.00 ± 0.16 mm, P = 0.950) and lesion C (error -0.01 ± 0.18 mm, P = 0.585). The correlation of the measurements with AAD was not significant for any lesion. Forty matched pairs of angiographic views were analyzed for the bifurcation phantom. The average value of AAD was 49.1 ± 15.4°. 3D QCA slightly overestimated the proximal angle (error 0.4 ± 1.1°, P = 0.046) and the distal angle (error 1.5 ± 1.3°, P < 0.001). The correlation with AAD was only significant for the distal angle (R(2) = 0.256, P = 0.001). The correlation of bifurcation core volume measurements with AAD was not significant (P = 0.750). Of the two aforementioned measurements with significant correlation with AAD, the errors tended to increase as AAD became larger. 3D QCA can be used to reliably assess vessel dimensions and bifurcation angles. Increasing the AAD of the two angiographic views does not increase accuracy and precision of 3D QCA for circular lesions or bifurcation dimensions. Copyright © 2011 Wiley-Liss, Inc.

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.

Error control techniques for satellite and space communications

NASA Technical Reports Server (NTRS)

Costello, Daniel J., Jr.

1994-01-01

The unequal error protection capabilities of convolutional and trellis codes are studied. In certain environments, a discrepancy in the amount of error protection placed on different information bits is desirable. Examples of environments which have data of varying importance are a number of speech coding algorithms, packet switched networks, multi-user systems, embedded coding systems, and high definition television. Encoders which provide more than one level of error protection to information bits are called unequal error protection (UEP) codes. In this work, the effective free distance vector, d, is defined as an alternative to the free distance as a primary performance parameter for UEP convolutional and trellis encoders. For a given (n, k), convolutional encoder, G, the effective free distance vector is defined as the k-dimensional vector d = (d(sub 0), d(sub 1), ..., d(sub k-1)), where d(sub j), the j(exp th) effective free distance, is the lowest Hamming weight among all code sequences that are generated by input sequences with at least one '1' in the j(exp th) position. It is shown that, although the free distance for a code is unique to the code and independent of the encoder realization, the effective distance vector is dependent on the encoder realization.

Refractive errors in 3-6 year-old Chinese children: a very low prevalence of myopia?

PubMed

Lan, Weizhong; Zhao, Feng; Lin, Lixia; Li, Zhen; Zeng, Junwen; Yang, Zhikuan; Morgan, Ian G

2013-01-01

To examine the prevalence of refractive errors in children aged 3-6 years in China. Children were recruited for a trial of a home-based amblyopia screening kit in Guangzhou preschools, during which cycloplegic refractions were measured in both eyes of 2480 children. Cycloplegic refraction (from 3 to 4 drops of 1% cyclopentolate to ensure abolition of the light reflex) was measured by both autorefraction and retinoscopy. Refractive errors were defined as followed: myopia (at least -0.50 D in the worse eye), hyperopia (at least +2.00 D in the worse eye) and astigmatism (at least 1.50 D in the worse eye). Different definitions, as specified in the text, were also used to facilitate comparison with other studies. The mean spherical equivalent refractive error was at least +1.22 D for all ages and both genders. The prevalence of myopia for any definition at any age was at most 2.5%, and lower in most cases. In contrast, the prevalence of hyperopia was generally over 20%, and declined slightly with age. The prevalence of astigmatism was between 6% and 11%. There was very little change in refractive error with age over this age range. Previous reports of less hyperopic mean spherical equivalent refractive error, and more myopia and less hyperopia in children of this age may be due to problems with achieving adequate cycloplegia in children with dark irises. Using up to 4 drops of 1% cyclopentolate may be necessary to accurately measure refractive error in paediatric studies of such children. Our results suggest that children from all ethnic groups may follow a similar pattern of early refractive development, with little myopia and a hyperopic mean spherical equivalent over +1.00 D up to the age of 5-6 years in most conditions.

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).

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

Liang, X; Li, Z; Zheng, D

Purpose: In the context of evaluating dosimetric impacts of a variety of uncertainties involved in HDR Tandem-and-Ovoid treatment, to study the correlations between conventional point doses and 3D volumetric doses. Methods: For 5 cervical cancer patients treated with HDR T&O, 150 plans were retrospectively created to study dosimetric impacts of the following uncertainties: (1) inter-fractional applicator displacement between two treatment fractions within a single insertion by applying Fraction#1 plan to Fraction#2 CT; (2) positional dwell error simulated from −5mm to 5mm in 1mm steps; (3) simulated temporal dwell error of 0.05s, 0.1s, 0.5s, and 1s. The original plans were basedmore » on point dose prescription, from which the volume covered by the prescription dose was generated as the pseudo target volume to study the 3D target dose effect. OARs were contoured. The point and volumetric dose errors were calculated by taking the differences between original and simulated plans. The correlations between the point and volumetric dose errors were analyzed. Results: For the most clinically relevant positional dwell uncertainty of 1mm, temporal uncertainty of 0.05s, and inter-fractional applicator displacement within the same insertion, the mean target D90 and V100 deviation were within 1%. Among these uncertainties, the applicator displacement showed the largest potential target coverage impact (2.6% on D90) as well as the OAR dose impact (2.5% and 3.4% on bladder D2cc and rectum D2cc). The Spearman correlation analysis shows a correlation coefficient of 0.43 with a p-value of 0.11 between target D90 coverage and H point dose. Conclusion: With the most clinically relevant positional and temporal dwell uncertainties and patient interfractional applicator displacement within the same insertion, the dose error is within clinical acceptable range. The lack of correlation between H point and 3D volumetric dose errors is a motivator for the use of 3D treatment planning in cervical HDR brachytherapy.« less

Lack of dependence on resonant error field of locked mode island size in ohmic plasmas in DIII-D

DOE PAGES

Haye, R. J. La; Paz-Soldan, C.; Strait, E. J.

2015-01-23

DIII-D experiments show that fully penetrated resonant n=1 error field locked modes in Ohmic plasmas with safety factor q 95≳3 grow to similar large disruptive size, independent of resonant error field correction. Relatively small resonant (m/n=2/1) static error fields are shielded in Ohmic plasmas by the natural rotation at the electron diamagnetic drift frequency. However, the drag from error fields can lower rotation such that a bifurcation results, from nearly complete shielding to full penetration, i.e., to a driven locked mode island that can induce disruption.

Toward isolating the role of dopamine in the acquisition of incentive salience attribution.

PubMed

Chow, Jonathan J; Nickell, Justin R; Darna, Mahesh; Beckmann, Joshua S

2016-10-01

Stimulus-reward learning has been heavily linked to the reward-prediction error learning hypothesis and dopaminergic function. However, some evidence suggests dopaminergic function may not strictly underlie reward-prediction error learning, but may be specific to incentive salience attribution. Utilizing a Pavlovian conditioned approach procedure consisting of two stimuli that were equally reward-predictive (both undergoing reward-prediction error learning) but functionally distinct in regard to incentive salience (levers that elicited sign-tracking and tones that elicited goal-tracking), we tested the differential role of D1 and D2 dopamine receptors and nucleus accumbens dopamine in the acquisition of sign- and goal-tracking behavior and their associated conditioned reinforcing value within individuals. Overall, the results revealed that both D1 and D2 inhibition disrupted performance of sign- and goal-tracking. However, D1 inhibition specifically prevented the acquisition of sign-tracking to a lever, instead promoting goal-tracking and decreasing its conditioned reinforcing value, while neither D1 nor D2 signaling was required for goal-tracking in response to a tone. Likewise, nucleus accumbens dopaminergic lesions disrupted acquisition of sign-tracking to a lever, while leaving goal-tracking in response to a tone unaffected. Collectively, these results are the first evidence of an intraindividual dissociation of dopaminergic function in incentive salience attribution from reward-prediction error learning, indicating that incentive salience, reward-prediction error, and their associated dopaminergic signaling exist within individuals and are stimulus-specific. Thus, individual differences in incentive salience attribution may be reflective of a differential balance in dopaminergic function that may bias toward the attribution of incentive salience, relative to reward-prediction error learning only. Copyright © 2016 Elsevier Ltd. All rights reserved.

Clinical outcomes of Transepithelial photorefractive keratectomy to treat low to moderate myopic astigmatism.

PubMed

Xi, Lei; Zhang, Chen; He, Yanling

2018-05-09

To evaluate the refractive and visual outcomes of Transepithelial photorefractive keratectomy (TransPRK) in the treatment of low to moderate myopic astigmatism. This retrospective study enrolled a total of 47 eyes that had undergone Transepithelial photorefractive keratectomy. Preoperative cylinder diopters ranged from - 0.75D to - 2.25D (mean - 1.11 ± 0.40D), and the sphere was between - 1.50D to - 5.75D. Visual outcomes and vector analysis of astigmatism that included error ratio (ER), correction ratio (CR), error of magnitude (EM) and error of angle (EA) were evaluated. At 6 months after TransPRK, all eyes had an uncorrected distance visual acuity of 20/20 or better, no eyes lost ≥2 lines of corrected distant visual acuity (CDVA), and 93.6% had residual refractive cylinder within ±0.50D of intended correction. On vector analysis, the mean correction ratio for refractive cylinder was 1.03 ± 0.30. The mean error magnitude was - 0.04 ± 0.36. The mean error of angle was 0.44° ± 7.42°and 80.9% of eyes had axis shift within ±10°. The absolute astigmatic error of magnitude was statistically significantly correlated with the intended cylinder correction (r = 0.48, P < 0.01). TransPRK showed safe, effective and predictable results in the correction of low to moderate astigmatism and myopia.

Evaluation of the 3dMDface system as a tool for soft tissue analysis.

PubMed

Hong, C; Choi, K; Kachroo, Y; Kwon, T; Nguyen, A; McComb, R; Moon, W

2017-06-01

To evaluate the accuracy of three-dimensional stereophotogrammetry by comparing values obtained from direct anthropometry and the 3dMDface system. To achieve a more comprehensive evaluation of the reliability of 3dMD, both linear and surface measurements were examined. UCLA Section of Orthodontics. Mannequin head as model for anthropometric measurements. Image acquisition and analysis were carried out on a mannequin head using 16 anthropometric landmarks and 21 measured parameters for linear and surface distances. 3D images using 3dMDface system were made at 0, 1 and 24 hours; 1, 2, 3 and 4 weeks. Error magnitude statistics used include mean absolute difference, standard deviation of error, relative error magnitude and root mean square error. Intra-observer agreement for all measurements was attained. Overall mean errors were lower than 1.00 mm for both linear and surface parameter measurements, except in 5 of the 21 measurements. The three longest parameter distances showed increased variation compared to shorter distances. No systematic errors were observed for all performed paired t tests (P<.05). Agreement values between two observers ranged from 0.91 to 0.99. Measurements on a mannequin confirmed the accuracy of all landmarks and parameters analysed in this study using the 3dMDface system. Results indicated that 3dMDface system is an accurate tool for linear and surface measurements, with potentially broad-reaching applications in orthodontics, surgical treatment planning and treatment evaluation. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Three-Dimensional Color Code Thresholds via Statistical-Mechanical Mapping

NASA Astrophysics Data System (ADS)

Kubica, Aleksander; Beverland, Michael E.; Brandão, Fernando; Preskill, John; Svore, Krysta M.

2018-05-01

Three-dimensional (3D) color codes have advantages for fault-tolerant quantum computing, such as protected quantum gates with relatively low overhead and robustness against imperfect measurement of error syndromes. Here we investigate the storage threshold error rates for bit-flip and phase-flip noise in the 3D color code (3DCC) on the body-centered cubic lattice, assuming perfect syndrome measurements. In particular, by exploiting a connection between error correction and statistical mechanics, we estimate the threshold for 1D stringlike and 2D sheetlike logical operators to be p3DCC (1 )≃1.9 % and p3DCC (2 )≃27.6 % . We obtain these results by using parallel tempering Monte Carlo simulations to study the disorder-temperature phase diagrams of two new 3D statistical-mechanical models: the four- and six-body random coupling Ising models.

A comparison of gantry-mounted x-ray-based real-time target tracking methods.

PubMed

Montanaro, Tim; Nguyen, Doan Trang; Keall, Paul J; Booth, Jeremy; Caillet, Vincent; Eade, Thomas; Haddad, Carol; Shieh, Chun-Chien

2018-03-01

Most modern radiotherapy machines are built with a 2D kV imaging system. Combining this imaging system with a 2D-3D inference method would allow for a ready-made option for real-time 3D tumor tracking. This work investigates and compares the accuracy of four existing 2D-3D inference methods using both motion traces inferred from external surrogates and measured internally from implanted beacons. Tumor motion data from 160 fractions (46 thoracic/abdominal patients) of Synchrony traces (inferred traces), and 28 fractions (7 lung patients) of Calypso traces (internal traces) from the LIGHT SABR trial (NCT02514512) were used in this study. The motion traces were used as the ground truth. The ground truth trajectories were used in silico to generate 2D positions projected on the kV detector. These 2D traces were then passed to the 2D-3D inference methods: interdimensional correlation, Gaussian probability density function (PDF), arbitrary-shape PDF, and the Kalman filter. The inferred 3D positions were compared with the ground truth to determine tracking errors. The relationships between tracking error and motion magnitude, interdimensional correlation, and breathing periodicity index (BPI) were also investigated. Larger tracking errors were observed from the Calypso traces, with RMS and 95th percentile 3D errors of 0.84-1.25 mm and 1.72-2.64 mm, compared to 0.45-0.68 mm and 0.74-1.13 mm from the Synchrony traces. The Gaussian PDF method was found to be the most accurate, followed by the Kalman filter, the interdimensional correlation method, and the arbitrary-shape PDF method. Tracking error was found to strongly and positively correlate with motion magnitude for both the Synchrony and Calypso traces and for all four methods. Interdimensional correlation and BPI were found to negatively correlate with tracking error only for the Synchrony traces. The Synchrony traces exhibited higher interdimensional correlation than the Calypso traces especially in the anterior-posterior direction. Inferred traces often exhibit higher interdimensional correlation, which are not true representation of thoracic/abdominal motion and may underestimate kV-based tracking errors. The use of internal traces acquired from systems such as Calypso is advised for future kV-based tracking studies. The Gaussian PDF method is the most accurate 2D-3D inference method for tracking thoracic/abdominal targets. Motion magnitude has significant impact on 2D-3D inference error, and should be considered when estimating kV-based tracking error. © 2018 American Association of Physicists in Medicine.

Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

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

Hamasha, Safeia, E-mail: safeia@hu.edu.jo

2013-11-15

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are consideredmore » by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.« less

Coherent errors in quantum error correction

NASA Astrophysics Data System (ADS)

Greenbaum, Daniel; Dutton, Zachary

Analysis of quantum error correcting (QEC) codes is typically done using a stochastic, Pauli channel error model for describing the noise on physical qubits. However, it was recently found that coherent errors (systematic rotations) on physical data qubits result in both physical and logical error rates that differ significantly from those predicted by a Pauli model. We present analytic results for the logical error as a function of concatenation level and code distance for coherent errors under the repetition code. For data-only coherent errors, we find that the logical error is partially coherent and therefore non-Pauli. However, the coherent part of the error is negligible after two or more concatenation levels or at fewer than ɛ - (d - 1) error correction cycles. Here ɛ << 1 is the rotation angle error per cycle for a single physical qubit and d is the code distance. These results support the validity of modeling coherent errors using a Pauli channel under some minimum requirements for code distance and/or concatenation. We discuss extensions to imperfect syndrome extraction and implications for general QEC.

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.

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

Katsuta, Y; Tohoku University Graduate School of Medicine, Sendal, Miyagi; Kadoya, N

Purpose: In this study, we developed a system to calculate three dimensional (3D) dose that reflects dosimetric error caused by leaf miscalibration for head and neck and prostate volumetric modulated arc therapy (VMAT) without additional treatment planning system calculation on real time. Methods: An original system called clarkson dose calculation based dosimetric error calculation to calculate dosimetric error caused by leaf miscalibration was developed by MATLAB (Math Works, Natick, MA). Our program, first, calculates point doses at isocenter for baseline and modified VMAT plan, which generated by inducing MLC errors that enlarged aperture size of 1.0 mm with clarkson dosemore » calculation. Second, error incuced 3D dose was generated with transforming TPS baseline 3D dose using calculated point doses. Results: Mean computing time was less than 5 seconds. For seven head and neck and prostate plans, between our method and TPS calculated error incuced 3D dose, the 3D gamma passing rates (0.5%/2 mm, global) are 97.6±0.6% and 98.0±0.4%. The dose percentage change with dose volume histogram parameter of mean dose on target volume were 0.1±0.5% and 0.4±0.3%, and with generalized equivalent uniform dose on target volume were −0.2±0.5% and 0.2±0.3%. Conclusion: The erroneous 3D dose calculated by our method is useful to check dosimetric error caused by leaf miscalibration before pre treatment patient QA dosimetry checks.« 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.

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.

Image fusion in craniofacial virtual reality modeling based on CT and 3dMD photogrammetry.

PubMed

Xin, Pengfei; Yu, Hongbo; Cheng, Huanchong; Shen, Shunyao; Shen, Steve G F

2013-09-01

The aim of this study was to demonstrate the feasibility of building a craniofacial virtual reality model by image fusion of 3-dimensional (3D) CT models and 3 dMD stereophotogrammetric facial surface. A CT scan and stereophotography were performed. The 3D CT models were reconstructed by Materialise Mimics software, and the stereophotogrammetric facial surface was reconstructed by 3 dMD patient software. All 3D CT models were exported as Stereo Lithography file format, and the 3 dMD model was exported as Virtual Reality Modeling Language file format. Image registration and fusion were performed in Mimics software. Genetic algorithm was used for precise image fusion alignment with minimum error. The 3D CT models and the 3 dMD stereophotogrammetric facial surface were finally merged into a single file and displayed using Deep Exploration software. Errors between the CT soft tissue model and 3 dMD facial surface were also analyzed. Virtual model based on CT-3 dMD image fusion clearly showed the photorealistic face and bone structures. Image registration errors in virtual face are mainly located in bilateral cheeks and eyeballs, and the errors are more than 1.5 mm. However, the image fusion of whole point cloud sets of CT and 3 dMD is acceptable with a minimum error that is less than 1 mm. The ease of use and high reliability of CT-3 dMD image fusion allows the 3D virtual head to be an accurate, realistic, and widespread tool, and has a great benefit to virtual face model.

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

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

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

DOE PAGES

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; ...

2017-10-24

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

The differential algebra based multiple level fast multipole algorithm for 3D space charge field calculation and photoemission simulation

DOE PAGES

None, None

2015-09-28

Coulomb interaction between charged particles inside a bunch is one of the most importance collective effects in beam dynamics, becoming even more significant as the energy of the particle beam is lowered to accommodate analytical and low-Z material imaging purposes such as in the time resolved Ultrafast Electron Microscope (UEM) development currently underway at Michigan State University. In addition, space charge effects are the key limiting factor in the development of ultrafast atomic resolution electron imaging and diffraction technologies and are also correlated with an irreversible growth in rms beam emittance due to fluctuating components of the nonlinear electron dynamics.more » In the short pulse regime used in the UEM, space charge effects also lead to virtual cathode formation in which the negative charge of the electrons emitted at earlier times, combined with the attractive surface field, hinders further emission of particles and causes a degradation of the pulse properties. Space charge and virtual cathode effects and their remediation are core issues for the development of the next generation of high-brightness UEMs. Since the analytical models are only applicable for special cases, numerical simulations, in addition to experiments, are usually necessary to accurately understand the space charge effect. In this paper we will introduce a grid-free differential algebra based multiple level fast multipole algorithm, which calculates the 3D space charge field for n charged particles in arbitrary distribution with an efficiency of O(n), and the implementation of the algorithm to a simulation code for space charge dominated photoemission processes.« less

Energy Levels, Lifetimes, and Transition Rates for P-like Ions from Cr X to Zn XVI from Large-scale Relativistic Multiconfiguration Calculations

NASA Astrophysics Data System (ADS)

Wang, K.; Jönsson, P.; Gaigalas, G.; Radžiūtė, L.; Rynkun, P.; Del Zanna, G.; Chen, C. Y.

2018-04-01

The fully relativistic multiconfiguration Dirac–Hartree–Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the 3{s}23{p}3, 3s3p 4, 3{s}23{p}23d, 3s3p 33d, 3p 5, 3{s}23p3{d}2 configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence–valence and core–valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with the NIST ASD and CHIANTI compiled values and previous calculations. The mean average absolute difference, removing obvious outliers, between computed and observed energies for the 41 lowest identified levels in Fe XII, is only 0.057%, implying that the computed energies are accurate enough to aid identification of new emission lines from the Sun and other astrophysical sources. The amount of energy and transition data of high accuracy are significantly increased for several P-like ions of astrophysics interest, where experimental data are still very scarce.

Multi-pole orders and Kondo screening: Implications for quantum phase transitions in multipolar heavy-fermion systems

NASA Astrophysics Data System (ADS)

Lai, Hsin-Hua; Nica, Emilian; Si, Qimiao

Motivated by the properties of the heavy-fermion Ce3Pd20Si6 compound which exhibits both antiferro-magnetic (AFM) and antiferro-quadrupolar (AFQ) orders, we study a simplified quantum non-linear sigma model for spin-1 systems, with generalized multi-pole Kondo couplings to conduction electrons. We first consider the case when an SU(3) symmetry relates the spin and quadrupolar channels. We then analyze the effect of breaking the SU(3) symmetry, so that the interaction parameters in the spin and quadrupolar sectors are no longer equivalent, and different stages of Kondo screenings are allowed. A renormalization group analysis is used to analyze the interplay between the Kondo effect and the AFM/AFQ orders. Our work paves the way for understanding the global phase diagram in settings beyond the prototypical spin-1/2 cases. We also discuss similar considerations in the non-Kramers systems such as the heavy fermion compound PrV2Al20

Construction and Performance of a Superconducting Multipole Wiggler

NASA Astrophysics Data System (ADS)

Hwang, C. S.; Wang, B.; Chen, J. Y.; Chang, C. H.; Chen, H. H.; Fan, T. C.; Lin, F. Y.; Huang, M. H.; Chang, C. C.; Hsu, S. N.; Hsiung, G. Y.; Hsu, K. T.; Chen, J.; Chien, Y. C.; Chen, J. R.; Chen, C. T.

2004-05-01

A 3.2 Tesla superconducting multipole wiggler was designed and fabricated as an X-ray source. The magnet assembly, which consists of 32 pairs of racetrack NbTi superconducting coils with a periodic length of 60 mm, provides 28 effective poles. A 1.4056 m long elliptical cold-bore stainless steel beam duct with taper flanges and a wall thickness of 1 mm, was developed and constructed to fit the ultra-high vacuum condition for electron beam. The magnetic field strength was measured in liquid helium using a cryogenic Hall probe, revealing a field behavior very close to behavior consistent with the designed values. A Hall generator and the stretch wire methods are used to determine the transfer function of the peak field, the first and second integrated field distributions, and the good field region of the magnet. The quench protection of the magnet, the control algorithm for automatic filling of liquid helium, and the boil off rate of liquid helium and liquid nitrogen will also be discussed.

Comparison of cycloplegic refraction between Grand Seiko autorefractor and Retinomax autorefractor in the Vision in Preschoolers–Hyperopia in Preschoolers (VIP-HIP) Study

PubMed Central

Ying, Gui-shuang; Maguire, Maureen G.; Kulp, Marjean Taylor; Ciner, Elise; Moore, Bruce; Pistilli, Maxwell; Candy, Rowan

2017-01-01

PURPOSE To evaluate the agreement of cycloplegic refractive error measures between the Grand Seiko and Retinomax autorefractors in 4- and 5-year-old children. METHODS Cycloplegic refractive error of children was measured using the Grand Seiko and Retinomax during a comprehensive eye examination. Accommodative error was measured using the Grand Seiko. The differences in sphere, cylinder, spherical equivalent (SE) and intereye vector dioptric distance (VDD) between autorefractors were assessed using the Bland-Altman plot and 95% limits of agreement (95% LoA). RESULTS A total of 702 examinations were included. Compared to the Retinomax, the Grand Seiko provided statistically significantly larger values of sphere (mean difference, 0.34 D; 95% LoA, −0.46 to 1.14 D), SE (mean, 0.25 D; 95% LoA, −0.55 to 1.05 D), VDD (mean, 0.19 D; 95% LoA, −0.67 to 1.05 D), and more cylinder (mean, −0.18 D; 95% LoA, −0.91 to 0.55 D). The Grand Seiko measured ≥0.5 D than Retinomax in 43.1% of eyes for sphere and 29.8% of eyes for SE. In multivariate analysis, eyes with SE of >4 D (based on the average of two autorefractors) had larger differences in sphere (mean, 0.66 D vs 0.35 D; P < 0.0001) and SE (0.57 D vs 0.26 D; P < 0.0001) than eyes with SE of ≤4 D. CONCLUSIONS Under cycloplegia, the Grand Seiko provided higher measures of sphere, more cylinder, and higher SE than the Retinomax. Higher refractive error was associated with larger differences in sphere and SE between the Grand Seiko and Retinomax. (J AAPOS 2017;21: 219–223) PMID:28528993

Effect of tumor amplitude and frequency on 4D modeling of Vero4DRT system.

PubMed

Miura, Hideharu; Ozawa, Shuichi; Hayata, Masahiro; Tsuda, Shintaro; Yamada, Kiyoshi; Nagata, Yasushi

2017-01-01

An important issue in indirect dynamic tumor tracking with the Vero4DRT system is the accuracy of the model predictions of the internal target position based on surrogate infrared (IR) marker measurement. We investigated the predictive uncertainty of 4D modeling using an external IR marker, focusing on the effect of the target and surrogate amplitudes and periods. A programmable respiratory motion table was used to simulate breathing induced organ motion. Sinusoidal motion sequences were produced by a dynamic phantom with different amplitudes and periods. To investigate the 4D modeling error, the following amplitudes (peak-to-peak: 10-40 mm) and periods (2-8 s) were considered. The 95th percentile 4D modeling error (4D- E 95% ) between the detected and predicted target position ( μ  + 2SD) was calculated to investigate the 4D modeling error. 4D- E 95% was linearly related to the target motion amplitude with a coefficient of determination R 2  = 0.99 and ranged from 0.21 to 0.88 mm. The 4D modeling error ranged from 1.49 to 0.14 mm and gradually decreased with increasing target motion period. We analyzed the predictive error in 4D modeling and the error due to the amplitude and period of target. 4D modeling error substantially increased with increasing amplitude and decreasing period of the target motion.

Three-Dimensional Color Code Thresholds via Statistical-Mechanical Mapping.

PubMed

Kubica, Aleksander; Beverland, Michael E; Brandão, Fernando; Preskill, John; Svore, Krysta M

2018-05-04

Three-dimensional (3D) color codes have advantages for fault-tolerant quantum computing, such as protected quantum gates with relatively low overhead and robustness against imperfect measurement of error syndromes. Here we investigate the storage threshold error rates for bit-flip and phase-flip noise in the 3D color code (3DCC) on the body-centered cubic lattice, assuming perfect syndrome measurements. In particular, by exploiting a connection between error correction and statistical mechanics, we estimate the threshold for 1D stringlike and 2D sheetlike logical operators to be p_{3DCC}^{(1)}≃1.9% and p_{3DCC}^{(2)}≃27.6%. We obtain these results by using parallel tempering Monte Carlo simulations to study the disorder-temperature phase diagrams of two new 3D statistical-mechanical models: the four- and six-body random coupling Ising models.

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.

Algorithm for correcting the keratometric error in the estimation of the corneal power in eyes with previous myopic laser refractive surgery.

PubMed

Camps, Vicente J; Piñero, David P; Mateo, Veronica; Ribera, David; de Fez, Dolores; Blanes-Mompó, Francisco J; Alzamora-Rodríguez, Antonio

2013-11-01

To calculate theoretically the errors in the estimation of corneal power when using the keratometric index (nk) in eyes that underwent laser refractive surgery for the correction of myopia and to define and validate clinically an algorithm for minimizing such errors. Differences between corneal power estimation by using the classical nk and by using the Gaussian equation in eyes that underwent laser myopic refractive surgery were simulated and evaluated theoretically. Additionally, an adjusted keratometric index (nkadj) model dependent on r1c was developed for minimizing these differences. The model was validated clinically by retrospectively using the data from 32 myopic eyes [range, -1.00 to -6.00 diopters (D)] that had undergone laser in situ keratomileusis using a solid-state laser platform. The agreement between Gaussian (Pc) and adjusted keratometric (Pkadj) corneal powers in such eyes was evaluated. It was found that overestimations of corneal power up to 3.5 D were possible for nk = 1.3375 according to our simulations. The nk value to avoid the keratometric error ranged between 1.2984 and 1.3297. The following nkadj models were obtained: nkadj = -0.0064286r1c + 1.37688 (Gullstrand eye model) and nkadj = -0.0063804r1c + 1.37806 (Le Grand). The mean difference between Pkadj and Pc was 0.00 D, with limits of agreement of -0.45 and +0.46 D. This difference correlated significantly with the posterior corneal radius (r = -0.94, P < 0.01). The use of a single nk for estimating the corneal power in eyes that underwent a laser myopic refractive surgery can lead to significant errors. These errors can be minimized by using a variable nk dependent on r1c.

Diffraction of seismic waves from 3-D canyons and alluvial basins modeled using the Fast Multipole-accelerated BEM

NASA Astrophysics Data System (ADS)

Chaillat, S.; Bonnet, M.; Semblat, J.

2007-12-01

Seismic wave propagation and amplification in complex media is a major issue in the field of seismology. To compute seismic wave propagation in complex geological structures such as in alluvial basins, various numerical methods have been proposed. The main advantage of the Boundary Element Method (BEM) is that only the domain boundaries (and possibly interfaces) are discretized, leading to a reduction of the number of degrees of freedom. The main drawback of the standard BEM is that the governing matrix is full and non- symmetric, which gives rise to high computational and memory costs. In other areas where the BEM is used (electromagnetism, acoustics), considerable speedup of solution time and decrease of memory requirements have been achieved through the development, over the last decade, of the Fast Multipole Method (FMM). The goal of the FMM is to speed up the matrix-vector product computation needed at each iteration of the GMRES iterative solver. Moreover, the governing matrix is never explicitly formed, which leads to a storage requirement well below the memory necessary for holding the complete matrix. The FMM-accelerated BEM therefore achieves substantial savings in both CPU time and memory. In this work, the FMM is extended to the 3-D frequency-domain elastodynamics and applied to the computation of seismic wave propagation in 3-D. The efficiency of the present FMM-BEM is demonstrated on seismology- oriented examples. First, the diffraction of a plane wave or a point source by a 3-D canyon is studied. The influence of the size of the meshed part of the free surface is studied, and computations are performed for non- dimensional frequencies higher than those considered in other studies (thanks to the use of the FM-BEM), with which comparisons are made whenever possible. The method is also applied to analyze the diffraction of a plane wave or a point source by a 3-D alluvial basin. A parametrical study is performed on the effect of the shape of the basin and the interaction of the wavefield with the basin edges is analyzed.

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.

Improved HDRG decoders for qudit and non-Abelian quantum error correction

NASA Astrophysics Data System (ADS)

Hutter, Adrian; Loss, Daniel; Wootton, James R.

2015-03-01

Hard-decision renormalization group (HDRG) decoders are an important class of decoding algorithms for topological quantum error correction. Due to their versatility, they have been used to decode systems with fractal logical operators, color codes, qudit topological codes, and non-Abelian systems. In this work, we develop a method of performing HDRG decoding which combines strengths of existing decoders and further improves upon them. In particular, we increase the minimal number of errors necessary for a logical error in a system of linear size L from \\Theta ({{L}2/3}) to Ω ({{L}1-ε }) for any ε \\gt 0. We apply our algorithm to decoding D({{{Z}}d}) quantum double models and a non-Abelian anyon model with Fibonacci-like fusion rules, and show that it indeed significantly outperforms previous HDRG decoders. Furthermore, we provide the first study of continuous error correction with imperfect syndrome measurements for the D({{{Z}}d}) quantum double models. The parallelized runtime of our algorithm is poly(log L) for the perfect measurement case. In the continuous case with imperfect syndrome measurements, the averaged runtime is O(1) for Abelian systems, while continuous error correction for non-Abelian anyons stays an open problem.

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

Reducing the H0 and σ8 tensions with dark matter-neutrino interactions

NASA Astrophysics Data System (ADS)

Di Valentino, Eleonora; Bœhm, Céline; Hivon, Eric; Bouchet, François R.

2018-02-01

The introduction of dark matter-neutrino interactions modifies the cosmic microwave background (CMB) angular power spectrum at all scales, thus affecting the reconstruction of the cosmological parameters. Such interactions can lead to a slight increase of the value of H0 and a slight decrease of S8≡σ8√{Ωm/0.3 } , which can help reduce somewhat the tension between the CMB and weak lensing or Cepheids data sets. Here we show that it is impossible to solve both tensions simultaneously. While the 2015 Planck temperature and low multipole polarization data combined with the Cepheids data sets prefer large values of the Hubble rate (up to H0=72.1-1.7+1.5 km /s /Mpc , when Neff is free to vary), the σ8 parameter remains too large to reduce the σ8 tension. Adding high multipole Planck polarization data does not help since this data shows a strong preference for low values of H0, thus worsening current tensions, even though they also prefer smaller value of σ8.

X-ray Emission from Highly Charged Heavy Ions Studied at Storage Rings

NASA Astrophysics Data System (ADS)

Ma, X.; Stöhlker, Th.; Bosch, F.; Gumberidze, A.; Kozhuharov, C.; Muthig, A.; Mokler, P. H.; Warczak, A.

2003-01-01

Radiative electron capture at low projectile energies is studied via angular differential cross sections for collisions of bare uranium with low-Z target atoms. Our results show that for high-Z systems relativistic effects such as spin-flip transitions show up in an unambiguous fashion which still persist even in the low-energy domain. Moreover, following REC into the 2p3/2 state a strong alignment of this level was observed by measuring the angular distribution of the Lyα1 transition in H-like uranium. Here, an interference between the leading E1 decay channel and the much weaker M2 multipole transition gives rise to a remarkable modified angular distribution of the emitted photons. For the particular case of hydrogen-like uranium the former variance of the experimental data with theoretical findings is removed when this E1/M2 multipole mixing is taken into account. Finally, with respect to atomic structure studies, a very recent experiment will be discussed aiming on a precise determination of the electron-electron QED contribution to the groundstate ionization potential in He-like uranium.

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).

Simultaneous and sequential implantation of intacs and verisyse phakic intraocular lens for refractive improvement in keratectasia.

PubMed

Moshirfar, Majid; Fenzl, Carlton R; Meyer, Jay J; Neuffer, Marcus C; Espandar, Ladan; Mifflin, Mark D

2011-02-01

To evaluate the safety, efficacy, and visual outcomes of simultaneous and sequential implantation of Intacs (Addition Technology, Inc, Sunnyvale, CA) and Verisyse phakic intraocular lens (AMO, Santa Ana, CA) in selected cases of ectatic corneal disease. John A. Moran Eye Center, University of Utah, UT. Prospective data were collected from 19 eyes of 12 patients (5 eyes, post-laser in situ keratomileusis ectasia and 14 eyes, keratoconus). Intacs segments were implanted followed by insertion of a phakic Verisyse lens at the same session (12 eyes) in the simultaneous group or several months later (7 eyes) in the sequential group. The uncorrected visual acuity, best spectacle-corrected visual acuity (BSCVA), and manifest refraction were recorded at each visit. No intraoperative or postoperative complications were observed. At the last follow-up (19 ± 6 months), in the simultaneous group, mean spherical error was -0.79 ± 1.0 diopter (D) (range, -2.0 to +1.50 D) and cylindrical error +2.06 ± 1.21 D (range, +0.5 to +3.75 D). In the sequential group, at the last follow-up, at 36 ± 21 months, the mean spherical error was -1.64 ± 1.31 D (range, -3.25 to +1.0 D) and cylindrical error +2.07 ± 1.03 D (range, +0.75 to +3.25 D). There were no significant differences in mean uncorrected visual acuity or BSCVA between the 2 groups preoperatively or postoperatively. No eye lost lines of preoperative BSCVA. Combined insertion of Intacs and Verisyse was safe and effective in all cases. The outcomes of the simultaneous implantation of the Intacs and Verisyse lens in 1 surgery were similar to the results achieved with sequential implantation using 2 surgeries.

Development of a patient positioning error compensation tool for Korea Heavy-Ion Medical Accelerator Treatment Center

NASA Astrophysics Data System (ADS)

Kim, Min-Joo; Suh, Tae-Suk; Cho, Woong; Jung, Won-Gyun

2015-07-01

In this study, a potential validation tool for compensating for the patient positioning error was developed by using 2D/3D and 3D/3D image registration. For 2D/3D registration, digitallyreconstructed radiography (DRR) and three-dimensional computed tomography (3D-CT) images were applied. The ray-casting algorithm is the most straightforward method for generating DRR, so we adopted the traditional ray-casting method, which finds the intersections of a ray with all objects, voxels of the 3D-CT volume in the scene. The similarity between the extracted DRR and the orthogonal image was measured by using a normalized mutual information method. Two orthogonal images were acquired from a Cyber-knife system from the anterior-posterior (AP) and right lateral (RL) views. The 3D-CT and the two orthogonal images of an anthropomorphic phantom and of the head and neck of a cancer patient were used in this study. For 3D/3D registration, planning CT and in-room CT images were applied. After registration, the translation and the rotation factors were calculated to position a couch to be movable in six dimensions. Registration accuracies and average errors of 2.12 mm ± 0.50 mm for transformations and 1.23 ° ± 0.40 ° for rotations were acquired by using 2D/3D registration with the anthropomorphic Alderson-Rando phantom. In addition, registration accuracies and average errors of 0.90 mm ± 0.30 mm for transformations and 1.00 ° ± 0.2 ° for rotations were acquired by using CT image sets. We demonstrated that this validation tool could compensate for patient positioning errors. In addition, this research could be a fundamental step in compensating for patient positioning errors at the Korea Heavy-ion Medical Accelerator Treatment Center.

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

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

NASA Astrophysics Data System (ADS)

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; Birkholzer, Jens T.

2017-11-01

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1-D, 2-D, and 3-D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, td. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, td0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the first two terms for high-accuracy approximations (with less than 10-7 relative error) for 1-D isotropic (spheres, cylinders, slabs) and 2-D/3-D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1-D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2-D/3-D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.

Steps towards Smarter Solutions in Optometry and Ophthalmology-Inter-Device Agreement of Subjective Methods to Assess the Refractive Errors of the Eye.

PubMed

Ohlendorf, Arne; Leube, Alexander; Wahl, Siegfried

2016-07-13

To investigate the inter-device agreement and mean differences between a newly developed digital phoropter and the two standard methods (trial frame and manual phoropter). Refractive errors of two groups of participants were measured by two examiners (examiner 1 (E1): 36 subjects; examiner 2 (E2): 38 subjects). Refractive errors were assessed using a trial frame, a manual phoropter and a digital phoropter. Inter-device agreement regarding the measurement of refractive errors was analyzed for differences in terms of the power vector components (spherical equivalent (SE) and the cylindrical power vector components J0 and J45) between the used methods. Intraclass correlation coefficients (ICC's) were calculated to evaluate correlations between the used methods. Analyzing the variances between the three methods for SE, J0 and J45 using a two-way ANOVA showed no significant differences between the methods (SE: p = 0.13, J0: p = 0.58 and J45: p = 0.96) for examiner 1 and for examiner 2 (SE: p = 0.88, J0: p = 0.95 and J45: p = 1). Mean differences and ±95% Limits of Agreement for each pair of inter-device agreement regarding the SE for both examiners were as follows: Trial frame vs. digital phoropter: +0.10 D ± 0.56 D (E1) and +0.19 D ± 0.60 D (E2), manual phoropter vs. trial frame: -0.04 D ± 0.59 D (E1) and -0.12 D ± 0.49 D (E2) and for manual vs. digital phoropter: +0.06 D ± 0.65 D (E1) and +0.08 D ± 0.45 D (E2). ICCs revealed high correlations between all methods for both examiner (p < 0.001). The time to assess the subjective refraction was significantly smaller with the digital phoropter (examiner 1: p < 0.001; examiner 2: p < 0.001). "All used subjective methods show a good agreement between each other terms of ICC (>0.9). Assessing refractive errors using different subjective methods, results in similar mean differences and 95% limits of agreement, when compared to those reported in studies comparing subjective refraction non-cylcoplegic retinoscopy or autorefraction".

Steps towards Smarter Solutions in Optometry and Ophthalmology—Inter-Device Agreement of Subjective Methods to Assess the Refractive Errors of the Eye

PubMed Central

Ohlendorf, Arne; Leube, Alexander; Wahl, Siegfried

2016-01-01

Purpose: To investigate the inter-device agreement and mean differences between a newly developed digital phoropter and the two standard methods (trial frame and manual phoropter). Methods: Refractive errors of two groups of participants were measured by two examiners (examiner 1 (E1): 36 subjects; examiner 2 (E2): 38 subjects). Refractive errors were assessed using a trial frame, a manual phoropter and a digital phoropter. Inter-device agreement regarding the measurement of refractive errors was analyzed for differences in terms of the power vector components (spherical equivalent (SE) and the cylindrical power vector components J0 and J45) between the used methods. Intraclass correlation coefficients (ICC’s) were calculated to evaluate correlations between the used methods. Results: Analyzing the variances between the three methods for SE, J0 and J45 using a two-way ANOVA showed no significant differences between the methods (SE: p = 0.13, J0: p = 0.58 and J45: p = 0.96) for examiner 1 and for examiner 2 (SE: p = 0.88, J0: p = 0.95 and J45: p = 1). Mean differences and ±95% Limits of Agreement for each pair of inter-device agreement regarding the SE for both examiners were as follows: Trial frame vs. digital phoropter: +0.10 D ± 0.56 D (E1) and +0.19 D ± 0.60 D (E2), manual phoropter vs. trial frame: −0.04 D ± 0.59 D (E1) and −0.12 D ± 0.49 D (E2) and for manual vs. digital phoropter: +0.06 D ± 0.65 D (E1) and +0.08 D ± 0.45 D (E2). ICCs revealed high correlations between all methods for both examiner (p < 0.001). The time to assess the subjective refraction was significantly smaller with the digital phoropter (examiner 1: p < 0.001; examiner 2: p < 0.001). Conclusion: “All used subjective methods show a good agreement between each other terms of ICC (>0.9). Assessing refractive errors using different subjective methods, results in similar mean differences and 95% limits of agreement, when compared to those reported in studies comparing subjective refraction non-cylcoplegic retinoscopy or autorefraction”. PMID:27417629

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

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.

Resonance energy transfer: when a dipole fails.

PubMed

Andrews, David L; Leeder, Jamie M

2009-05-14

The Coulombic coupling of electric dipole (E1) transition moments is the most commonly studied and widely operative mechanism for energy migration in multichromophore systems. However a significant number of exceptions exist, in which donor decay and/or acceptor excitation processes are E1-forbidden. The alternative transfer mechanisms that can apply in such cases include roles for higher multipole transitions, exciton- or phonon-assisted interactions, and non-Coulombic interactions based on electron exchange. A quantum electrodynamical formulation provides a rigorous basis to assess the first of these, specifically addressing the relative significance of higher multipole contributions to the process of energy transfer in donor-acceptor systems where electric dipole transitions are precluded by symmetry. Working within the near-zone limit, where donor-acceptor separations are small in comparison to the chromophore scale, the analysis highlights the contributions of both electric quadrupole-electric quadrupole (E2-E2) coupling and the seldom considered second-order electric dipole-electric dipole (E1(2)-E1(2)) coupling. For both forms of interaction, experimentally meaningful rate equations are secured by the use of orientational averaging, and the mechanisms are analyzed with reference to systems in which E1-forbidden transitions are commonly reported.

Refractive Errors in 3–6 Year-Old Chinese Children: A Very Low Prevalence of Myopia?

PubMed Central

Lin, Lixia; Li, Zhen; Zeng, Junwen; Yang, Zhikuan; Morgan, Ian G.

2013-01-01

Purpose To examine the prevalence of refractive errors in children aged 3–6 years in China. Methods Children were recruited for a trial of a home-based amblyopia screening kit in Guangzhou preschools, during which cycloplegic refractions were measured in both eyes of 2480 children. Cycloplegic refraction (from 3 to 4 drops of 1% cyclopentolate to ensure abolition of the light reflex) was measured by both autorefraction and retinoscopy. Refractive errors were defined as followed: myopia (at least −0.50 D in the worse eye), hyperopia (at least +2.00 D in the worse eye) and astigmatism (at least 1.50 D in the worse eye). Different definitions, as specified in the text, were also used to facilitate comparison with other studies. Results The mean spherical equivalent refractive error was at least +1.22 D for all ages and both genders. The prevalence of myopia for any definition at any age was at most 2.5%, and lower in most cases. In contrast, the prevalence of hyperopia was generally over 20%, and declined slightly with age. The prevalence of astigmatism was between 6% and 11%. There was very little change in refractive error with age over this age range. Conclusions Previous reports of less hyperopic mean spherical equivalent refractive error, and more myopia and less hyperopia in children of this age may be due to problems with achieving adequate cycloplegia in children with dark irises. Using up to 4 drops of 1% cyclopentolate may be necessary to accurately measure refractive error in paediatric studies of such children. Our results suggest that children from all ethnic groups may follow a similar pattern of early refractive development, with little myopia and a hyperopic mean spherical equivalent over +1.00 D up to the age of 5–6 yearsin most conditions. PMID:24205064

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

Kim, M; Suh, T; Cho, W

Purpose: A potential validation tool for compensating patient positioning error was developed using 2D/3D and 3D/3D image registration. Methods: For 2D/3D registration, digitally reconstructed radiography (DRR) and three-dimensional computed tomography (3D-CT) images were applied. The ray-casting algorithm is the most straightforward method for generating DRR. We adopted the traditional ray-casting method, which finds the intersections of a ray with all objects, voxels of the 3D-CT volume in the scene. The similarity between the extracted DRR and orthogonal image was measured by using a normalized mutual information method. Two orthogonal images were acquired from a Cyber-Knife system from the anterior-posterior (AP)more » and right lateral (RL) views. The 3D-CT and two orthogonal images of an anthropomorphic phantom and head and neck cancer patient were used in this study. For 3D/3D registration, planning CT and in-room CT image were applied. After registration, the translation and rotation factors were calculated to position a couch to be movable in six dimensions. Results: Registration accuracies and average errors of 2.12 mm ± 0.50 mm for transformations and 1.23° ± 0.40° for rotations were acquired by 2D/3D registration using an anthropomorphic Alderson-Rando phantom. In addition, registration accuracies and average errors of 0.90 mm ± 0.30 mm for transformations and 1.00° ± 0.2° for rotations were acquired using CT image sets. Conclusion: We demonstrated that this validation tool could compensate for patient positioning error. In addition, this research could be the fundamental step for compensating patient positioning error at the first Korea heavy-ion medical accelerator treatment center.« less

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.

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

Chengqiang, L; Yin, Y; Chen, L

Purpose: To investigate the impact of MLC position errors on simultaneous integrated boost intensity-modulated radiotherapy (SIB-IMRT) for patients with nasopharyngeal carcinoma. Methods: To compare the dosimetric differences between the simulated plans and the clinical plans, ten patients with locally advanced NPC treated with SIB-IMRT were enrolled in this study. All plans were calculated with an inverse planning system (Pinnacle3, Philips Medical System{sub )}. Random errors −2mm to 2mm{sub )},shift errors{sub (} 2mm,1mm and 0.5mm) and systematic extension/ contraction errors (±2mm, ±1mm and ±0.5mm) of the MLC leaf position were introduced respectively into the original plans to create the simulated plans.more » Dosimetry factors were compared between the original and the simulated plans. Results: The dosimetric impact of the random and system shift errors of MLC position was insignificant within 2mm, the maximum changes in D95% of PGTV,PTV1,PTV2 were-0.92±0.51%,1.00±0.24% and 0.62±0.17%, the maximum changes in the D0.1cc of spinal cord and brainstem were 1.90±2.80% and −1.78±1.42%, the maximum changes in the Dmean of parotids were1.36±1.23% and −2.25±2.04%.However,the impact of MLC extension or contraction errors was found significant. For 2mm leaf extension errors, the average changes in D95% of PGTV,PTV1,PTV2 were 4.31±0.67%,4.29±0.65% and 4.79±0.82%, the averaged value of the D0.1cc to spinal cord and brainstem were increased by 7.39±5.25% and 6.32±2.28%,the averaged value of the mean dose to left and right parotid were increased by 12.75±2.02%,13.39±2.17% respectively. Conclusion: The dosimetric effect was insignificant for random MLC leaf position errors up to 2mm. There was a high sensitivity to dose distribution for MLC extension or contraction errors.We should pay attention to the anatomic changes in target organs and anatomical structures during the course,individual radiotherapy was recommended to ensure adaptive doses.« less

The prevalence of refractive errors among adults in the United States, Western Europe, and Australia.

PubMed

Kempen, John H; Mitchell, Paul; Lee, Kristine E; Tielsch, James M; Broman, Aimee T; Taylor, Hugh R; Ikram, M Kamran; Congdon, Nathan G; O'Colmain, Benita J

2004-04-01

To estimate the prevalence of refractive errors in persons 40 years and older. Counts of persons with phakic eyes with and without spherical equivalent refractive error in the worse eye of +3 diopters (D) or greater, -1 D or less, and -5 D or less were obtained from population-based eye surveys in strata of gender, race/ethnicity, and 5-year age intervals. Pooled age-, gender-, and race/ethnicity-specific rates for each refractive error were applied to the corresponding stratum-specific US, Western European, and Australian populations (years 2000 and projected 2020). Six studies provided data from 29 281 persons. In the US, Western European, and Australian year 2000 populations 40 years or older, the estimated crude prevalence for hyperopia of +3 D or greater was 9.9%, 11.6%, and 5.8%, respectively (11.8 million, 21.6 million, and 0.47 million persons). For myopia of -1 D or less, the estimated crude prevalence was 25.4%, 26.6%, and 16.4% (30.4 million, 49.6 million, and 1.3 million persons), respectively, of whom 4.5%, 4.6%, and 2.8% (5.3 million, 8.5 million, and 0.23 million persons), respectively, had myopia of -5 D or less. Projected prevalence rates in 2020 were similar. Refractive errors affect approximately one third of persons 40 years or older in the United States and Western Europe, and one fifth of Australians in this age group.

Simplified Syndrome Decoding of (n, 1) Convolutional Codes

NASA Technical Reports Server (NTRS)

Reed, I. S.; Truong, T. K.

1983-01-01

A new syndrome decoding algorithm for the (n, 1) convolutional codes (CC) that is different and simpler than the previous syndrome decoding algorithm of Schalkwijk and Vinck is presented. The new algorithm uses the general solution of the polynomial linear Diophantine equation for the error polynomial vector E(D). This set of Diophantine solutions is a coset of the CC space. A recursive or Viterbi-like algorithm is developed to find the minimum weight error vector cirumflex E(D) in this error coset. An example illustrating the new decoding algorithm is given for the binary nonsymmetric (2,1)CC.

A meta-analysis of inhibitory-control deficits in patients diagnosed with Alzheimer's dementia.

PubMed

Kaiser, Anna; Kuhlmann, Beatrice G; Bosnjak, Michael

2018-05-10

The authors conducted meta-analyses to determine the magnitude of performance impairments in patients diagnosed with Alzheimer's dementia (AD) compared with healthy aging (HA) controls on eight tasks commonly used to measure inhibitory control. Response time (RT) and error rates from a total of 64 studies were analyzed with random-effects models (overall effects) and mixed-effects models (moderator analyses). Large differences between AD patients and HA controls emerged in the basic inhibition conditions of many of the tasks with AD patients often performing slower, overall d = 1.17, 95% CI [0.88-1.45], and making more errors, d = 0.83 [0.63-1.03]. However, comparably large differences were also present in performance on many of the baseline control-conditions, d = 1.01 [0.83-1.19] for RTs and d = 0.44 [0.19-0.69] for error rates. A standardized derived inhibition score (i.e., control-condition score - inhibition-condition score) suggested no significant mean group difference for RTs, d = -0.07 [-0.22-0.08], and only a small difference for errors, d = 0.24 [-0.12-0.60]. Effects systematically varied across tasks and with AD severity. Although the error rate results suggest a specific deterioration of inhibitory-control abilities in AD, further processes beyond inhibitory control (e.g., a general reduction in processing speed and other, task-specific attentional processes) appear to contribute to AD patients' performance deficits observed on a variety of inhibitory-control tasks. Nonetheless, the inhibition conditions of many of these tasks well discriminate between AD patients and HA controls. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Refractive error at birth and its relation to gestational age.

PubMed

Varughese, Sara; Varghese, Raji Mathew; Gupta, Nidhi; Ojha, Rishikant; Sreenivas, V; Puliyel, Jacob M

2005-06-01

The refractive status of premature infants is not well studied. This study was done to find the norms of refractive error in newborns at different gestational ages. One thousand two hundred three (1203) eyes were examined for refractive error by streak retinoscopy within the first week of life between June 2001 and September 2002. Tropicamide eye drops (0.8%) with phenylephrine 0.5% were used to achieve cycloplegia and mydriasis. The refractive error was measured in the vertical and horizontal meridia in both eyes and was recorded to the nearest dioptre (D). The neonates were grouped in five gestational age groups ranging from 24 weeks to 43 weeks. Extremely preterm babies were found to be myopic with a mean MSE (mean spherical equivalent) of -4.86 D. The MSE was found to progressively decrease (become less myopic) with increasing gestation and was +2.4 D at term. Astigmatism of more than 1 D spherical equivalent was seen in 67.8% of the eyes examined. Among newborns with > 1 D of astigmatism, the astigmatism was with-the-rule (vertical meridian having greater refractive power than horizontal) in 85% and against-the-rule in 15%. Anisometropia of more than 1 D spherical equivalent was seen in 31% babies. Term babies are known to be hypermetropic, and preterm babies with retinopathy of prematurity (ROP) are known to have myopia. This study provides data on the mean spherical equivalent, the degree of astigmatism, and incidence of anisometropia at different gestational ages. This is the largest study in world literature looking at refractive errors at birth against gestational age. It should help understand the norms of refractive errors in preterm babies.

Ametropias in school-age children in Fada N'Gourma (Burkina Faso, Africa).

PubMed

Jiménez, Raimundo; Soler, Margarita; Anera, Rosario G; Castro, José J; Pérez, M Angustias; Salas, Carlos

2012-01-01

To assess epidemiological aspects of refractive errors in school-age children in Burkina Faso (west-central Africa). A total of 315 school children (ranging from 6 to 16 years of age and belonging to different ethnic groups) taken at random from two urban schools in eastern Burkina Faso were examined to assess their refractive error, which was determined by non-cycloplegic retinoscopy with optical fogging. The standard Refractive Error Study in Children (RESC) definitions of refractive errors were used: myopia ≤-0.5 D spherical equivalent (SE) in at least one eye, hyperopia ≥2 D SE in at least one eye, astigmatism ≤-0.75 D cylinder in at least one eye, and anisometropia ≥1 D SE difference between the two eyes. Unilateral myopia and bilateral myopia were found in 2.5 and 1%, respectively; unilateral hyperopia in 17.1%, bilateral hyperopia in 8.6%; astigmatism in at least one eye in 11.7%. The highest prevalence value (18.4%) of astigmatism (≤-0.75 D) in at least one eye was found in the Gourmantché ethnic group. The low prevalence of large refractive errors makes visual acuity in these children very good (visual acuity logarithm of the minimum angle of resolution -0.073 ± 0.123 SD). There was a low prevalence of myopia in these African school children. Clinically significant high hyperopia (≥+2 D SE) was also uncommon. There were no significant differences between the distributions of refractive errors according to gender or ethnicity. With respect to age groups, the prevalences of hyperopia and astigmatism were significantly higher in the younger age groups.

A navigation system for flexible endoscopes using abdominal 3D ultrasound

NASA Astrophysics Data System (ADS)

Hoffmann, R.; Kaar, M.; Bathia, Amon; Bathia, Amar; Lampret, A.; Birkfellner, W.; Hummel, J.; Figl, M.

2014-09-01

A navigation system for flexible endoscopes equipped with ultrasound (US) scan heads is presented. In contrast to similar systems, abdominal 3D-US is used for image fusion of the pre-interventional computed tomography (CT) to the endoscopic US. A 3D-US scan, tracked with an optical tracking system (OTS), is taken pre-operatively together with the CT scan. The CT is calibrated using the OTS, providing the transformation from CT to 3D-US. Immediately before intervention a 3D-US tracked with an electromagnetic tracking system (EMTS) is acquired and registered intra-modal to the preoperative 3D-US. The endoscopic US is calibrated using the EMTS and registered to the pre-operative CT by an intra-modal 3D-US/3D-US registration. Phantom studies showed a registration error for the US to CT registration of 5.1 mm ± 2.8 mm. 3D-US/3D-US registration of patient data gave an error of 4.1 mm compared to 2.8 mm with the phantom. From this we estimate an error on patient experiments of 5.6 mm.

2D IR spectra of cyanide in water investigated by molecular dynamics simulations

USGS Publications Warehouse

Lee, Myung Won; Carr, Joshua K.; Göllner, Michael; Hamm, Peter; Meuwly, Markus

2013-01-01

Using classical molecular dynamics simulations, the 2D infrared (IR) spectroscopy of CN− solvated in D2O is investigated. Depending on the force field parametrizations, most of which are based on multipolar interactions for the CN− molecule, the frequency-frequency correlation function and observables computed from it differ. Most notably, models based on multipoles for CN− and TIP3P for water yield quantitatively correct results when compared with experiments. Furthermore, the recent finding that T 1 times are sensitive to the van der Waals ranges on the CN− is confirmed in the present study. For the linear IR spectrum, the best model reproduces the full widths at half maximum almost quantitatively (13.0 cm−1 vs. 14.9 cm−1) if the rotational contribution to the linewidth is included. Without the rotational contribution, the lines are too narrow by about a factor of two, which agrees with Raman and IR experiments. The computed and experimental tilt angles (or nodal slopes) α as a function of the 2D IR waiting time compare favorably with the measured ones and the frequency fluctuation correlation function is invariably found to contain three time scales: a sub-ps, 1 ps, and one on the 10-ps time scale. These time scales are discussed in terms of the structural dynamics of the surrounding solvent and it is found that the longest time scale (≈10 ps) most likely corresponds to solvent exchange between the first and second solvation shell, in agreement with interpretations from nuclear magnetic resonance measurements.

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.

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.

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.

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).

Towards the 1 mm/y stability of the radial orbit error at regional scales

NASA Astrophysics Data System (ADS)

Couhert, Alexandre; Cerri, Luca; Legeais, Jean-François; Ablain, Michael; Zelensky, Nikita P.; Haines, Bruce J.; Lemoine, Frank G.; Bertiger, William I.; Desai, Shailen D.; Otten, Michiel

2015-01-01

An estimated orbit error budget for the Jason-1 and Jason-2 GDR-D solutions is constructed, using several measures of orbit error. The focus is on the long-term stability of the orbit time series for mean sea level applications on a regional scale. We discuss various issues related to the assessment of radial orbit error trends; in particular this study reviews orbit errors dependent on the tracking technique, with an aim to monitoring the long-term stability of all available tracking systems operating on Jason-1 and Jason-2 (GPS, DORIS, SLR). The reference frame accuracy and its effect on Jason orbit is assessed. We also examine the impact of analysis method on the inference of Geographically Correlated Errors as well as the significance of estimated radial orbit error trends versus the time span of the analysis. Thus a long-term error budget of the 10-year Jason-1 and Envisat GDR-D orbit time series is provided for two time scales: interannual and decadal. As the temporal variations of the geopotential remain one of the primary limitations in the Precision Orbit Determination modeling, the overall accuracy of the Jason-1 and Jason-2 GDR-D solutions is evaluated through comparison with external orbits based on different time-variable gravity models. This contribution is limited to an East-West “order-1” pattern at the 2 mm/y level (secular) and 4 mm level (seasonal), over the Jason-2 lifetime. The possibility of achieving sub-mm/y radial orbit stability over interannual and decadal periods at regional scales and the challenge of evaluating such an improvement using in situ independent data is discussed.

Towards the 1 mm/y Stability of the Radial Orbit Error at Regional Scales

NASA Technical Reports Server (NTRS)

Couhert, Alexandre; Cerri, Luca; Legeais, Jean-Francois; Ablain, Michael; Zelensky, Nikita P.; Haines, Bruce J.; Lemoine, Frank G.; Bertiger, William I.; Desai, Shailen D.; Otten, Michiel

2015-01-01

An estimated orbit error budget for the Jason-1 and Jason-2 GDR-D solutions is constructed, using several measures of orbit error. The focus is on the long-term stability of the orbit time series for mean sea level applications on a regional scale. We discuss various issues related to the assessment of radial orbit error trends; in particular this study reviews orbit errors dependent on the tracking technique, with an aim to monitoring the long-term stability of all available tracking systems operating on Jason-1 and Jason-2 (GPS, DORIS, SLR). The reference frame accuracy and its effect on Jason orbit is assessed. We also examine the impact of analysis method on the inference of Geographically Correlated Errors as well as the significance of estimated radial orbit error trends versus the time span of the analysis. Thus a long-term error budget of the 10-year Jason-1 and Envisat GDR-D orbit time series is provided for two time scales: interannual and decadal. As the temporal variations of the geopotential remain one of the primary limitations in the Precision Orbit Determination modeling, the overall accuracy of the Jason-1 and Jason-2 GDR-D solutions is evaluated through comparison with external orbits based on different time-variable gravity models. This contribution is limited to an East-West "order-1" pattern at the 2 mm/y level (secular) and 4 mm level (seasonal), over the Jason-2 lifetime. The possibility of achieving sub-mm/y radial orbit stability over interannual and decadal periods at regional scales and the challenge of evaluating such an improvement using in situ independent data is discussed.

Towards the 1 mm/y Stability of the Radial Orbit Error at Regional Scales

NASA Technical Reports Server (NTRS)

Couhert, Alexandre; Cerri, Luca; Legeais, Jean-Francois; Ablain, Michael; Zelensky, Nikita P.; Haines, Bruce J.; Lemoine, Frank G.; Bertiger, William I.; Desai, Shailen D.; Otten, Michiel

2014-01-01

An estimated orbit error budget for the Jason-1 and Jason-2 GDR-D solutions is constructed, using several measures of orbit error. The focus is on the long-term stability of the orbit time series for mean sea level applications on a regional scale. We discuss various issues related to the assessment of radial orbit error trends; in particular this study reviews orbit errors dependent on the tracking technique, with an aim to monitoring the long-term stability of all available tracking systems operating on Jason-1 and Jason-2 (GPS, DORIS,SLR). The reference frame accuracy and its effect on Jason orbit is assessed. We also examine the impact of analysis method on the inference of Geographically Correlated Errors as well as the significance of estimated radial orbit error trends versus the time span of the analysis. Thus a long-term error budget of the 10-year Jason-1 and Envisat GDR-D orbit time series is provided for two time scales: interannual and decadal. As the temporal variations of the geopotential remain one of the primary limitations in the Precision Orbit Determination modeling, the overall accuracy of the Jason-1 and Jason-2 GDR-D solutions is evaluated through comparison with external orbits based on different time-variable gravity models. This contribution is limited to an East-West "order-1" pattern at the 2 mm/y level (secular) and 4 mm level (seasonal), over the Jason-2 lifetime. The possibility of achieving sub-mm/y radial orbit stability over interannual and decadal periods at regional scales and the challenge of evaluating such an improvement using in situ independent data is discussed.

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.

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

Error field detection in DIII-D by magnetic steering of locked modes

DOE PAGES

Shiraki, Daisuke; La Haye, Robert J.; Logan, Nikolas C.; ...

2014-02-20

Optimal correction coil currents for the n = 1 intrinsic error field of the DIII-D tokamak are inferred by applying a rotating external magnetic perturbation to steer the phase of a saturated locked mode with poloidal/toroidal mode number m/n = 2/1. The error field is detected non-disruptively in a single discharge, based on the toroidal torque balance of the resonant surface, which is assumed to be dominated by the balance of resonant electromagnetic torques. This is equivalent to the island being locked at all times to the resonant 2/1 component of the total of the applied and intrinsic error fields,more » such that the deviation of the locked mode phase from the applied field phase depends on the existing error field. The optimal set of correction coil currents is determined to be those currents which best cancels the torque from the error field, based on fitting of the torque balance model. The toroidal electromagnetic torques are calculated from experimental data using a simplified approach incorporating realistic DIII-D geometry, and including the effect of the plasma response on island torque balance based on the ideal plasma response to external fields. This method of error field detection is demonstrated in DIII-D discharges, and the results are compared with those based on the onset of low-density locked modes in ohmic plasmas. Furthermore, this magnetic steering technique presents an efficient approach to error field detection and is a promising method for ITER, particularly during initial operation when the lack of auxiliary heating systems makes established techniques based on rotation or plasma amplification unsuitable.« less

Uncorrected refractive error and presbyopia among junior high school teachers in Jakarta, Indonesia.

PubMed

Ehrlich, Joshua R; Laoh, Alex; Kourgialis, Nick; Prasetyanti, Widya; Zakiyah, Rima; Faillace, Silvana; Friedman, David S

2013-12-01

To report on the frequency of observed refractive and accommodative errors among junior high school teachers in Jakarta, Indonesia, who participated in a Helen Keller International screening, refraction and spectacle distribution program. A total of 965 teachers from 19 schools were eligible for screening; those with uncorrected distance visual acuity (VA) ≤ 6/12-3 and teachers ≥ 35 years old with uncorrected end-point print size >Jaeger (J) 6 were referred. Autorefraction and subjective refraction were performed for teachers with confirmed decreased VA. Refractive error was considered present if sphere ≤-0.75 diopters (D), sphere ≥+0.25D or cylinder ≤-0.50 D resulted in ≥ 2 lines of improvement in VA. Presbyopia was considered present if an end-point print size >J6 improved by ≥ 1 optotype with the use of a lens ≥+1.00 D. Overall, 866 teachers were screened (89.7% of those eligible) with complete screening data available for 858 (99.0%), among whom 762 failed screening. Distance refraction data were available for 666 of 762 (87.4%) and near refraction data for 520 of 686 (75.8%) teachers who failed screening. Of those screened, 76.2 ± 9.0% of teachers had refractive and/or accommodative error and 57.1 ± 7.6% had uncorrected refractive and/or accommodative error. Overall and uncorrected distance refractive error affected 44.2 ± 3.7% and 36.0 ± 3.6%, respectively; overall and uncorrected presbyopia affected 66.4 ± 8.1% and 41.0 ± 6.6%, respectively. As defined in this program, refractive and accommodative errors were common among teachers in Jakarta.

Prevalence of refractive errors in the European adult population: the Gutenberg Health Study (GHS).

PubMed

Wolfram, Christian; Höhn, René; Kottler, Ulrike; Wild, Philipp; Blettner, Maria; Bühren, Jens; Pfeiffer, Norbert; Mirshahi, Alireza

2014-07-01

To study the distribution of refractive errors among adults of European descent. Population-based eye study in Germany with 15010 participants aged 35-74 years. The study participants underwent a detailed ophthalmic examination according to a standardised protocol. Refractive error was determined by an automatic refraction device (Humphrey HARK 599) without cycloplegia. Definitions for the analysis were myopia <-0.5 dioptres (D), hyperopia >+0.5 D, astigmatism >0.5 cylinder D and anisometropia >1.0 D difference in the spherical equivalent between the eyes. Exclusion criterion was previous cataract or refractive surgery. 13959 subjects were eligible. Refractive errors ranged from -21.5 to +13.88 D. Myopia was present in 35.1% of this study sample, hyperopia in 31.8%, astigmatism in 32.3% and anisometropia in 13.5%. The prevalence of myopia decreased, while the prevalence of hyperopia, astigmatism and anisometropia increased with age. 3.5% of the study sample had no refractive correction for their ametropia. Refractive errors affect the majority of the population. The Gutenberg Health Study sample contains more myopes than other study cohorts in adult populations. Our findings do not support the hypothesis of a generally lower prevalence of myopia among adults in Europe as compared with East Asia.

Experimental verification of position-dependent angular-momentum selection rules for absorption of twisted light by a bound electron

NASA Astrophysics Data System (ADS)

Afanasev, Andrei; Carlson, Carl E.; Schmiegelow, Christian T.; Schulz, Jonas; Schmidt-Kaler, Ferdinand; Solyanik, Maria

2018-02-01

We analyze the multipole excitation of atoms with twisted light, i.e, by a vortex light field that carries orbital angular momentum. A single trapped 40Ca+ ion serves as a localized and positioned probe of the exciting field. We drive the {S}1/2\\to {D}5/2 transition and observe the relative strengths of different transitions, depending on the ion's transversal position with respect to the center of the vortex light field. On the other hand, transition amplitudes are calculated for a twisted light field in form of a Bessel beam, a Bessel-Gauss and a Laguerre-Gauss mode. Analyzing experimental obtained transition amplitudes we find agreement with the theoretical predictions at a level of better than 3%. Finally, we propose measurement schemes with two-ion crystals to enhance the sensing accuracy of vortex modes in future experiments.

SU-E-T-202: Comparison of 4D-Measurement-Guided Dose Reconstructions (MGDR) with COMPASS and OCTAVIUS 4D System

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

Leung, R; Wong, M; Lee, V

2015-06-15

Purpose: To cross-validate the MGDR of COMPASS (IBA dosimetry, GmbH, Germany) and OCTAVIUS 4D system (PTW, Freiburg, Germany). Methods: Volumetric-modulated arc plans (5 head-and-neck and 3 prostate) collapsed to 40° gantry on the OCTAVIUS 4D phantom in QA mode on Monaco v5.0 (Elekta, CMS, Maryland Heights, MO) were delivered on a Elekta Agility linac. This study was divided into two parts: (1) error-free measurements by gantry-mounted EvolutionXX 2D array were reconstructed in COMPASS (IBA dosimetry, GmbH, Germany), and by OCTAVIUS 1500 array in Versoft v6.1 (PTW, Freiburg, Germany) to obtain the 3D doses (COM4D and OCTA4D). COM4D and OCTA4D weremore » compared to the raw measurement (OCTA3D) at the same detector plane for which OCTAVIUS 1500 was perpendicular to 0° gantry axis while the plans were delivered at gantry 40°; (2) beam steering errors of energy (Hump=-2%) and symmetry (2T=+2%) were introduced during the delivery of 5 plans to compare the MGDR doses COM4D-Hump (COM4D-2T), OCTA4D-Hump (OCTA4D-2T), with raw doses OCTA3D-Hump (OCTA3D-2T) and with OCTA3D to assess the error reconstruction and detection ability of MGDR tools. All comparisons used Υ-criteria of 2%(local dose)/2mm and 3%/3mm. Results: Averaged Υ passing rates were 85% and 96% for COM4D,and 94% and 99% for OCTA4D at 2%/2mm and 3%/3mm criteria respectively. For error reconstruction, COM4D-Hump (COM4D-2T) showed 81% (93%) at 2%/2mm and 94% (98%) at 3%/3mm, while OCTA4D-Hump (OCTA4D-2T) showed 96% (96%) at 2%/2mm and 99% (99%) at 3%/3mm. For error detection, OCTA3D doses were compared to COM4D-Hump (COM4D-2T) showing Υ passing rates of 93% (93%) at 2%/2mm and 98% (98%), and to OCTA4D-Hump (OCTA4D -2T) showing 94% (99%) at 2%/2mm and 81% (96%) at 3%/3mm, respectively. Conclusion: OCTAVIUS MGDR showed better agreement to raw measurements in both error- and error-free comparisons. COMPASS MGDR deviated from the raw measurements possibly owing to beam modeling uncertainty.« less

[Research on Resistant Starch Content of Rice Grain Based on NIR Spectroscopy Model].

PubMed

Luo, Xi; Wu, Fang-xi; Xie, Hong-guang; Zhu, Yong-sheng; Zhang, Jian-fu; Xie, Hua-an

2016-03-01

A new method based on near-infrared reflectance spectroscopy (NIRS) analysis was explored to determine the content of rice-resistant starch instead of common chemical method which took long time was high-cost. First of all, we collected 62 spectral data which have big differences in terms of resistant starch content of rice, and then the spectral data and detected chemical values are imported chemometrics software. After that a near-infrared spectroscopy calibration model for rice-resistant starch content was constructed with partial least squares (PLS) method. Results are as follows: In respect of internal cross validation, the coefficient of determination (R2) of untreated, pretreatment with MSC+1thD, pretreatment with 1thD+SNV were 0.920 2, 0.967 0 and 0.976 7 respectively. Root mean square error of prediction (RMSEP) were 1.533 7, 1.011 2 and 0.837 1 respectively. In respect of external validation, the coefficient of determination (R2) of untreated, pretreatment with MSC+ 1thD, pretreatment with 1thD+SNV were 0.805, 0.976 and 0.992 respectively. The average absolute error was 1.456, 0.818, 0.515 respectively. There was no significant difference between chemical and predicted values (Turkey multiple comparison), so we think near infrared spectrum analysis is more feasible than chemical measurement. Among the different pretreatment, the first derivation and standard normal variate (1thD+SNV) have higher coefficient of determination (R2) and lower error value whether in internal validation and external validation. In other words, the calibration model has higher precision and less error by pretreatment with 1thD+SNV.

Accuracy of noncycloplegic refraction performed at school screening camps.

PubMed

Khurana, Rolli; Tibrewal, Shailja; Ganesh, Suma; Tarkar, Rajoo; Nguyen, Phuong Thi Thanh; Siddiqui, Zeeshan; Dasgupta, Shantanu

2018-06-01

The aim of this study was to compare noncycloplegic refraction performed in school camp with that performed in eye clinic in children aged 6-16 years. A prospective study of children with unaided vision <0.2 LogMAR who underwent noncycloplegic retinoscopy (NCR) and subjective refraction (SR) in camp and subsequently in eye clinic between February and March 2017 was performed. A masked optometrist performed refractions in both settings. The agreement between refraction values obtained at both settings was compared using the Bland-Altman analysis. A total of 217 eyes were included in this study. Between the school camp and eye clinic, the mean absolute error ± standard deviation in spherical equivalent (SE) of NCR was 0.33 ± 0.4D and that of SR was 0.26 ± 0.5D. The limits of agreement for NCR were +0.91D to - 1.09D and for SR was +1.15D to -1.06D. The mean absolute error in SE was ≤0.5D in 92.62% eyes (95% confidence interval 88%-95%). A certain degree of variability exists between noncycloplegic refraction done in school camps and eye clinic. It was found to be accurate within 0.5D of SE in 92.62% eyes for refractive errors up to 4.5D of myopia, 3D of cylinder, and 1.5D of hyperopia.

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

Boroun, G. R., E-mail: boroun@razi.ac.ir; Rezaie, B.

We present a set of formulas using the solution of the QCD Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) evolution equation to extract of the exponents of the gluon distribution, {lambda}{sub g}, and structure function, {lambda}{sub S}, from the Regge-like behavior at low x. The exponents are found to be independent of x and to increase linearly with lnQ{sup 2} and are compared with the most data from the H1 Collaboration. We also calculated the structure function F{sub 2}(x,Q{sup 2}) and the gluon distribution G(x,Q{sup 2}) at low x assuming the Regge-like behavior of the gluon distribution function at this limit and compared them withmore » an NLO-QCD fit to theH1 data, two-Pomeron fit, multipole Pomeron exchange fit, and MRST (A.D. Martin, R.G. Roberts, W.J. Stirling, and R.S. Thorne), DL (A. Donnachie and P.V. Landshoff), and NLO GRV (M. Gluek, E. Reya, and A. Vogt) fit results.« less

First clinical experience in carbon ion scanning beam therapy: retrospective analysis of patient positional accuracy.

PubMed

Mori, Shinichiro; Shibayama, Kouichi; Tanimoto, Katsuyuki; Kumagai, Motoki; Matsuzaki, Yuka; Furukawa, Takuji; Inaniwa, Taku; Shirai, Toshiyuki; Noda, Koji; Tsuji, Hiroshi; Kamada, Tadashi

2012-09-01

Our institute has constructed a new treatment facility for carbon ion scanning beam therapy. The first clinical trials were successfully completed at the end of November 2011. To evaluate patient setup accuracy, positional errors between the reference Computed Tomography (CT) scan and final patient setup images were calculated using 2D-3D registration software. Eleven patients with tumors of the head and neck, prostate and pelvis receiving carbon ion scanning beam treatment participated. The patient setup process takes orthogonal X-ray flat panel detector (FPD) images and the therapists adjust the patient table position in six degrees of freedom to register the reference position by manual or auto- (or both) registration functions. We calculated residual positional errors with the 2D-3D auto-registration function using the final patient setup orthogonal FPD images and treatment planning CT data. Residual error averaged over all patients in each fraction decreased from the initial to the last treatment fraction [1.09 mm/0.76° (averaged in the 1st and 2nd fractions) to 0.77 mm/0.61° (averaged in the 15th and 16th fractions)]. 2D-3D registration calculation time was 8.0 s on average throughout the treatment course. Residual errors in translation and rotation averaged over all patients as a function of date decreased with the passage of time (1.6 mm/1.2° in May 2011 to 0.4 mm/0.2° in December 2011). This retrospective residual positional error analysis shows that the accuracy of patient setup during the first clinical trials of carbon ion beam scanning therapy was good and improved with increasing therapist experience.

46 CFR Exhibit No. 1 to Subpart Q... - Application for Refund or Waiver of Freight Charges Due to Tariff or Quoting Error

Code of Federal Regulations, 2012 CFR

2012-10-01

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Comparisons of single event vulnerability of GaAs SRAMS

NASA Astrophysics Data System (ADS)

Weatherford, T. R.; Hauser, J. R.; Diehl, S. E.

1986-12-01

A GaAs MESFET/JFET model incorporated into SPICE has been used to accurately describe C-EJFET, E/D MESFET and D MESFET/resistor GaAs memory technologies. These cells have been evaluated for critical charges due to gate-to-drain and drain-to-source charge collection. Low gate-to-drain critical charges limit conventional GaAs SRAM soft error rates to approximately 1E-6 errors/bit-day. SEU hardening approaches including decoupling resistors, diodes, and FETs have been investigated. Results predict GaAs RAM cell critical charges can be increased to over 0.1 pC. Soft error rates in such hardened memories may approach 1E-7 errors/bit-day without significantly reducing memory speed. Tradeoffs between hardening level, performance and fabrication complexity are discussed.

Two-dimensional simulation of eccentric photorefraction images for ametropes: factors influencing the measurement.

PubMed

Wu, Yifei; Thibos, Larry N; Candy, T Rowan

2018-05-07

Eccentric photorefraction and Purkinje image tracking are used to estimate refractive state and eye position simultaneously. Beyond vision screening, they provide insight into typical and atypical visual development. Systematic analysis of the effect of refractive error and spectacles on photorefraction data is needed to gauge the accuracy and precision of the technique. Simulation of two-dimensional, double-pass eccentric photorefraction was performed (Zemax). The inward pass included appropriate light sources, lenses and a single surface pupil plane eye model to create an extended retinal image that served as the source for the outward pass. Refractive state, as computed from the luminance gradient in the image of the pupil captured by the model's camera, was evaluated for a range of refractive errors (-15D to +15D), pupil sizes (3 mm to 7 mm) and two sets of higher-order monochromatic aberrations. Instrument calibration was simulated using -8D to +8D trial lenses at the spectacle plane for: (1) vertex distances from 3 mm to 23 mm, (2) uncorrected and corrected hyperopic refractive errors of +4D and +7D, and (3) uncorrected and corrected astigmatism of 4D at four different axes. Empirical calibration of a commercial photorefractor was also compared with a wavefront aberrometer for human eyes. The pupil luminance gradient varied linearly with refractive state for defocus less than approximately 4D (5 mm pupil). For larger errors, the gradient magnitude saturated and then reduced, leading to under-estimation of refractive state. Additional inaccuracy (up to 1D for 8D of defocus) resulted from spectacle magnification in the pupil image, which would reduce precision in situations where vertex distance is variable. The empirical calibration revealed a constant offset between the two clinical instruments. Computational modelling demonstrates the principles and limitations of photorefraction to help users avoid potential measurement errors. Factors that could cause clinically significant errors in photorefraction estimates include high refractive error, vertex distance and magnification effects of a spectacle lens, increased higher-order monochromatic aberrations, and changes in primary spherical aberration with accommodation. The impact of these errors increases with increasing defocus. © 2018 The Authors Ophthalmic & Physiological Optics © 2018 The College of Optometrists.

Effect of Pointing Error on the BER Performance of an Optical CDMA FSO Link with SIK Receiver

NASA Astrophysics Data System (ADS)

Nazrul Islam, A. K. M.; Majumder, S. P.

2017-12-01

An analytical approach is presented for an optical code division multiple access (OCDMA) system over free space optical (FSO) channel considering the effect of pointing error between the transmitter and the receiver. Analysis is carried out with an optical sequence inverse keying (SIK) correlator receiver with intensity modulation and direct detection (IM/DD) to find the bit error rate (BER) with pointing error. The results are evaluated numerically in terms of signal-to-noise plus multi-access interference (MAI) ratio, BER and power penalty due to pointing error. It is noticed that the OCDMA FSO system is highly affected by pointing error with significant power penalty at a BER of 10-6 and 10-9. For example, penalty at BER 10-9 is found to be 9 dB corresponding to normalized pointing error of 1.4 for 16 users with processing gain of 256 and is reduced to 6.9 dB when the processing gain is increased to 1,024.

Measurements of the toroidal torque balance of error field penetration locked modes

DOE PAGES

Shiraki, Daisuke; Paz-Soldan, Carlos; Hanson, Jeremy M.; ...

2015-01-05

Here, detailed measurements from the DIII-D tokamak of the toroidal dynamics of error field penetration locked modes under the influence of slowly evolving external fields, enable study of the toroidal torques on the mode, including interaction with the intrinsic error field. The error field in these low density Ohmic discharges is well known based on the mode penetration threshold, allowing resonant and non-resonant torque effects to be distinguished. These m/n = 2/1 locked modes are found to be well described by a toroidal torque balance between the resonant interaction with n = 1 error fields, and a viscous torque inmore » the electron diamagnetic drift direction which is observed to scale as the square of the perturbed field due to the island. Fitting to this empirical torque balance allows a time-resolved measurement of the intrinsic error field of the device, providing evidence for a time-dependent error field in DIII-D due to ramping of the Ohmic coil current.« less

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

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

Huang, He; Luo, Li -Shi; Li, Rui

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

DOE PAGES

Huang, He; Luo, Li -Shi; Li, Rui; ...

2018-05-17

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Parallel Anisotropic Tetrahedral Adaptation

NASA Technical Reports Server (NTRS)

Park, Michael A.; Darmofal, David L.

2008-01-01

An adaptive method that robustly produces high aspect ratio tetrahedra to a general 3D metric specification without introducing hybrid semi-structured regions is presented. The elemental operators and higher-level logic is described with their respective domain-decomposed parallelizations. An anisotropic tetrahedral grid adaptation scheme is demonstrated for 1000-1 stretching for a simple cube geometry. This form of adaptation is applicable to more complex domain boundaries via a cut-cell approach as demonstrated by a parallel 3D supersonic simulation of a complex fighter aircraft. To avoid the assumptions and approximations required to form a metric to specify adaptation, an approach is introduced that directly evaluates interpolation error. The grid is adapted to reduce and equidistribute this interpolation error calculation without the use of an intervening anisotropic metric. Direct interpolation error adaptation is illustrated for 1D and 3D domains.

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

Electronic structure of an anticancer drug DC81 and its interaction with DNA base pairs

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

Tiwari, Gargi, E-mail: gargi.tiwari@rediffmail.com; Sharma, Dipendra, E-mail: d-11sharma@rediffmail.com; Dwivedi, K. K., E-mail: dwivedikarunesh4@gmail.com

The drug, 8-Hydroxy-7-methoxy-pyrrolo-[2,1-c][1,4] benzodiazepine-5-one, commonly christened as DC81 belongs to the pyrrolo-[2,1-c][1,4]benzodiazepine (PBDs) family. It is a member of the group of naturally occurring antitumour antibiotics produced by various Streptomyces species. The antitumour activity of DC81 is attributed to its sequence specific interaction with G-C rich DNA region in particular, for Pu-G-Pu motifs. In the present paper, physico-chemical properties DC81 have been carried out using an ab-initio method, HF/6-31G(d,p) with GAMESS program. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the drug have been calculated. Further, drug-DNA interactions have beenmore » examined using modified second order perturbation theory along with multicentred-multipole expansion technique. Results have been discussed in the light of other theoretical and experimental observations. Efforts have been made to elucidate the binding patterns and thereby biological properties of the drug.« less

Electronic structure of an anticancer drug DC81 and its interaction with DNA base pairs

NASA Astrophysics Data System (ADS)

Tiwari, Gargi; Sharma, Dipendra; Dwivedi, K. K.; Dwivedi, M. K.

2016-05-01

The drug, 8-Hydroxy-7-methoxy-pyrrolo-[2,1-c][1,4] benzodiazepine-5-one, commonly christened as DC81 belongs to the pyrrolo-[2,1-c][1,4]benzodiazepine (PBDs) family. It is a member of the group of naturally occurring antitumour antibiotics produced by various Streptomyces species. The antitumour activity of DC81 is attributed to its sequence specific interaction with G-C rich DNA region in particular, for Pu-G-Pu motifs. In the present paper, physico-chemical properties DC81 have been carried out using an ab-initio method, HF/6-31G(d,p) with GAMESS program. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the drug have been calculated. Further, drug-DNA interactions have been examined using modified second order perturbation theory along with multicentred-multipole expansion technique. Results have been discussed in the light of other theoretical and experimental observations. Efforts have been made to elucidate the binding patterns and thereby biological properties of the drug.

Comparison of MLC error sensitivity of various commercial devices for VMAT pre-treatment quality assurance.

PubMed

Saito, Masahide; Sano, Naoki; Shibata, Yuki; Kuriyama, Kengo; Komiyama, Takafumi; Marino, Kan; Aoki, Shinichi; Ashizawa, Kazunari; Yoshizawa, Kazuya; Onishi, Hiroshi

2018-05-01

The purpose of this study was to compare the MLC error sensitivity of various measurement devices for VMAT pre-treatment quality assurance (QA). This study used four QA devices (Scandidos Delta4, PTW 2D-array, iRT systems IQM, and PTW Farmer chamber). Nine retrospective VMAT plans were used and nine MLC error plans were generated for all nine original VMAT plans. The IQM and Farmer chamber were evaluated using the cumulative signal difference between the baseline and error-induced measurements. In addition, to investigate the sensitivity of the Delta4 device and the 2D-array, global gamma analysis (1%/1, 2%/2, and 3%/3 mm), dose difference (1%, 2%, and 3%) were used between the baseline and error-induced measurements. Some deviations of the MLC error sensitivity for the evaluation metrics and MLC error ranges were observed. For the two ionization devices, the sensitivity of the IQM was significantly better than that of the Farmer chamber (P < 0.01) while both devices had good linearly correlation between the cumulative signal difference and the magnitude of MLC errors. The pass rates decreased as the magnitude of the MLC error increased for both Delta4 and 2D-array. However, the small MLC error for small aperture sizes, such as for lung SBRT, could not be detected using the loosest gamma criteria (3%/3 mm). Our results indicate that DD could be more useful than gamma analysis for daily MLC QA, and that a large-area ionization chamber has a greater advantage for detecting systematic MLC error because of the large sensitive volume, while the other devices could not detect this error for some cases with a small range of MLC error. © 2018 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Relativistic many-body calculation of energies, transition rates, lifetimes, and multipole polarizabilities in Cs-like La iii

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.

2014-05-01

Excitation energies of the [Xe]nd (n =5-9), [Xe]ns (n =6-10), [Xe]np (n =6-9), [Xe]nf (n =4-8), and [Xe]ng (n =5-8) states in La iii, where [Xe] = 1s22s22p63s23p63d104s24p64d105s25p6, are evaluated. Electric dipole matrix elements for the allowed transitions between the low-lying [Xe]nd, [Xe]ns, [Xe]np, [Xe]nf, and [Xe]ng states in the La iii ion are calculated using the high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Recommended values are provided for a large number of electric dipole matrix elements, oscillator strengths, transition rates, and lifetimes. Scalar and tensor polarizabilities of the states listed above are evaluated. The uncertainties of the recommended values are estimated. Electric quadrupole and magnetic dipole matrix elements are calculated to determine lifetimes of the 5d5/2 and 6s metastable levels. The ground-state E1, E2, and E3 static polarizabilities are calculated. This work provides recommended values critically evaluated for their accuracy for a number of La iii atomic properties for use in planning and analysis of various experiments as well as theoretical modeling.

Stable indications of relic gravitational waves in Wilkinson Microwave Anisotropy Probe data and forecasts for the Planck mission

NASA Astrophysics Data System (ADS)

Zhao, W.; Baskaran, D.; Grishchuk, L. P.

2009-10-01

The relic gravitational waves are the cleanest probe of the violent times in the very early history of the Universe. They are expected to leave signatures in the observed cosmic microwave background anisotropies. We significantly improved our previous analysis [W. Zhao, D. Baskaran, and L. P. Grishchuk, Phys. Rev. DPRVDAQ1550-7998 79, 023002 (2009)10.1103/PhysRevD.79.023002] of the 5-year WMAP TT and TE data at lower multipoles ℓ. This more general analysis returned essentially the same maximum likelihood result (unfortunately, surrounded by large remaining uncertainties): The relic gravitational waves are present and they are responsible for approximately 20% of the temperature quadrupole. We identify and discuss the reasons by which the contribution of gravitational waves can be overlooked in a data analysis. One of the reasons is a misleading reliance on data from very high multipoles ℓ and another a too narrow understanding of the problem as the search for B modes of polarization, rather than the detection of relic gravitational waves with the help of all correlation functions. Our analysis of WMAP5 data has led to the identification of a whole family of models characterized by relatively high values of the likelihood function. Using the Fisher matrix formalism we formulated forecasts for Planck mission in the context of this family of models. We explore in detail various “optimistic,” “pessimistic,” and “dream case” scenarios. We show that in some circumstances the B-mode detection may be very inconclusive, at the level of signal-to-noise ratio S/N=1.75, whereas a smarter data analysis can reveal the same gravitational wave signal at S/N=6.48. The final result is encouraging. Even under unfavorable conditions in terms of instrumental noises and foregrounds, the relic gravitational waves, if they are characterized by the maximum likelihood parameters that we found from WMAP5 data, will be detected by Planck at the level S/N=3.65.

Dental Students' Interpretations of Digital Panoramic Radiographs on Completely Edentate Patients.

PubMed

Kratz, Richard J; Nguyen, Caroline T; Walton, Joanne N; MacDonald, David

2018-03-01

The ability of dental students to interpret digital panoramic radiographs (PANs) of edentulous patients has not been documented. The aim of this retrospective study was to compare the ability of second-year (D2) dental students with that of third- and fourth-year (D3-D4) dental students to interpret and identify positional errors in digital PANs obtained from patients with complete edentulism. A total of 169 digital PANs from edentulous patients were assessed by D2 (n=84) and D3-D4 (n=85) dental students at one Canadian dental school. The correctness of the students' interpretations was determined by comparison to a gold standard established by assessments of the same PANs by two experts (a graduate student in prosthodontics and an oral and maxillofacial radiologist). Data collected were from September 1, 2006, when digital radiography was implemented at the university, to December 31, 2012. Nearly all (95%) of the PANs were acceptable diagnostically despite a high proportion (92%) of positional errors detected. A total of 301 positional errors were identified in the sample. The D2 students identified significantly more (p=0.002) positional errors than the D3-D4 students. There was no significant difference (p=0.059) in the distribution of radiographic interpretation errors between the two student groups when compared to the gold standard. Overall, the category of extragnathic findings had the highest number of false negatives (43) reported. In this study, dental students interpreted digital PANs of edentulous patients satisfactorily, but they were more adept at identifying radiographic findings compared to positional errors. Students should be reminded to examine the entire radiograph thoroughly to ensure extragnathic findings are not missed and to recognize and report patient positional errors.

Single-Isocenter Multiple-Target Stereotactic Radiosurgery: Risk of Compromised Coverage

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

Roper, Justin, E-mail: justin.roper@emory.edu; Department of Biostatistics and Bioinformatics, Winship Cancer Institute of Emory University, Atlanta, Georgia; Chanyavanich, Vorakarn

2015-11-01

Purpose: To determine the dosimetric effects of rotational errors on target coverage using volumetric modulated arc therapy (VMAT) for multitarget stereotactic radiosurgery (SRS). Methods and Materials: This retrospective study included 50 SRS cases, each with 2 intracranial planning target volumes (PTVs). Both PTVs were planned for simultaneous treatment to 21 Gy using a single-isocenter, noncoplanar VMAT SRS technique. Rotational errors of 0.5°, 1.0°, and 2.0° were simulated about all axes. The dose to 95% of the PTV (D95) and the volume covered by 95% of the prescribed dose (V95) were evaluated using multivariate analysis to determine how PTV coverage was relatedmore » to PTV volume, PTV separation, and rotational error. Results: At 0.5° rotational error, D95 values and V95 coverage rates were ≥95% in all cases. For rotational errors of 1.0°, 7% of targets had D95 and V95 values <95%. Coverage worsened substantially when the rotational error increased to 2.0°: D95 and V95 values were >95% for only 63% of the targets. Multivariate analysis showed that PTV volume and distance to isocenter were strong predictors of target coverage. Conclusions: The effects of rotational errors on target coverage were studied across a broad range of SRS cases. In general, the risk of compromised coverage increased with decreasing target volume, increasing rotational error and increasing distance between targets. Multivariate regression models from this study may be used to quantify the dosimetric effects of rotational errors on target coverage given patient-specific input parameters of PTV volume and distance to isocenter.« less

Scaling depth-induced wave-breaking in two-dimensional spectral wave models

NASA Astrophysics Data System (ADS)

Salmon, J. E.; Holthuijsen, L. H.; Zijlema, M.; van Vledder, G. Ph.; Pietrzak, J. D.

2015-03-01

Wave breaking in shallow water is still poorly understood and needs to be better parameterized in 2D spectral wave models. Significant wave heights over horizontal bathymetries are typically under-predicted in locally generated wave conditions and over-predicted in non-locally generated conditions. A joint scaling dependent on both local bottom slope and normalized wave number is presented and is shown to resolve these issues. Compared to the 12 wave breaking parameterizations considered in this study, this joint scaling demonstrates significant improvements, up to ∼50% error reduction, over 1D horizontal bathymetries for both locally and non-locally generated waves. In order to account for the inherent differences between uni-directional (1D) and directionally spread (2D) wave conditions, an extension of the wave breaking dissipation models is presented. By including the effects of wave directionality, rms-errors for the significant wave height are reduced for the best performing parameterizations in conditions with strong directional spreading. With this extension, our joint scaling improves modeling skill for significant wave heights over a verification data set of 11 different 1D laboratory bathymetries, 3 shallow lakes and 4 coastal sites. The corresponding averaged normalized rms-error for significant wave height in the 2D cases varied between 8% and 27%. In comparison, using the default setting with a constant scaling, as used in most presently operating 2D spectral wave models, gave equivalent errors between 15% and 38%.

Prevalence of refractive errors in a Brazilian population: the Botucatu eye study.

PubMed

Schellini, Silvana Artioli; Durkin, Shane R; Hoyama, Erika; Hirai, Flavio; Cordeiro, Ricardo; Casson, Robert J; Selva, Dinesh; Padovani, Carlos Roberto

2009-01-01

To determine the prevalence and demographic associations of refractive error in Botucatu, Brazil. A population-based, cross-sectional prevalence study was conducted, which involved random, household cluster sampling of an urban Brazilian population in Botucatu. There were 3000 individuals aged 1 to 91 years (mean 38.3) who were eligible to participate in the study. Refractive error measurements were obtained by objective refraction. Objective refractive error examinations were performed on 2454 residents within this sample (81.8% of eligible participants). The mean age was 38 years (standard deviation (SD) 20.8 years, Range 1 to 91) and females comprised 57.5% of the study population. Myopia (spherical equivalent (SE) < -0.5 dropters (D)) was most prevalent among those aged 30-39 years (29.7%; 95% confidence interval (CI) 24.8-35.1) and least prevalent among children under 10 years (3.8%; 95% confidence interval (CI) 1.6-7.3). Conversely hypermetropia (SE > 0.5D) was most prevalent among participants under 10 years (86.9%; 95% CI 81.6-91.1) and least prevalent in the fourth decade (32.5%; 95% CI 28.2-37.0). Participants aged 70 years or older bore the largest burden of astigmatism (cylinder at least -0.5D) and anisometropia (difference in SE of > 0.5D) with a prevalence of 71.7% (95% CI 64.8-78.0) 55.0% (95% CI 47.6-62.2) respectively. Myopia and hypermetropia were significantly associated with age in a bimodal manner (P < 0.001), whereas anisometropia and astigmatism increased in line with age (P < 0.001). Multivariate modeling confirmed age-related risk factors for refractive error and revealed several gender, occupation and ethnic-related risk factors. These results represent previously unreported data on refractive error within this Brazilian population. They signal a need to continue to screen for refractive error within this population and to ensure that people have adequate access to optical correction.

Refractive Errors in Koreans: The Korea National Health and Nutrition Examination Survey 2008-2012.

PubMed

Rim, Tyler Hyungtaek; Kim, Seung-Hyun; Lim, Key Hwan; Choi, Moonjung; Kim, Hye Young; Baek, Seung-Hee

2016-06-01

Our study provides epidemiologic data on the prevalence of refractive errors in all age group ≥5 years in Korea. In 2008 to 2012, a total of 33,355 participants aged ≥5 years underwent ophthalmologic examinations. Using the right eye, myopia was defined as a spherical equivalent (SE) less than -0.5 or -1.0 diopters (D) in subjects aged 19 years and older or as an SE less than -0.75 or -1.25 D in subjects aged 5 to 18 years according to non-cycloplegic refraction. Other refractive errors were defined as follows: high myopia as an SE less than -6.0 D; hyperopia as an SE larger than +0.5 D; and astigmatism as a cylindrical error less than -1.0 D. The prevalence and risk factors of myopia were evaluated. Prevalence rates with a 95% confidence interval were determined for myopia (SE <-0.5 D, 51.9% [51.2 to 52.7]; SE <-1.0 D, 39.6% [38.8 to 40.3]), high myopia (5.0% [4.7 to 5.3]), hyperopia (13.4% [12.9 to 13.9]), and astigmatism (31.2% [30.5 to 32.0]). The prevalence of myopia demonstrated a nonlinear distribution with the highest peak between the ages of 19 and 29 years. The prevalence of hyperopia decreased with age in subjects aged 39 years or younger and then increased with age in subjects aged 40 years or older. The prevalence of astigmatism gradually increased with age. Education was associated with all refractive errors; myopia was more prevalent and hyperopia and astigmatism were less prevalent in the highly educated groups. In young generations, the prevalence of myopia in Korea was much higher compared to the white or black populations in Western countries and is consistent with the high prevalence found in most other Asian countries. The overall prevalence of hyperopia was much lower compared to that of the white Western population. Age and education level were significant predictive factors associated with all kinds of refractive errors.

Refractive Errors in Koreans: The Korea National Health and Nutrition Examination Survey 2008-2012

PubMed Central

Rim, Tyler Hyungtaek; Kim, Seung-Hyun; Lim, Key Hwan; Choi, Moonjung

2016-01-01

Purpose Our study provides epidemiologic data on the prevalence of refractive errors in all age group ≥5 years in Korea. Methods In 2008 to 2012, a total of 33,355 participants aged ≥5 years underwent ophthalmologic examinations. Using the right eye, myopia was defined as a spherical equivalent (SE) less than -0.5 or -1.0 diopters (D) in subjects aged 19 years and older or as an SE less than -0.75 or -1.25 D in subjects aged 5 to 18 years according to non-cycloplegic refraction. Other refractive errors were defined as follows: high myopia as an SE less than -6.0 D; hyperopia as an SE larger than +0.5 D; and astigmatism as a cylindrical error less than -1.0 D. The prevalence and risk factors of myopia were evaluated. Results Prevalence rates with a 95% confidence interval were determined for myopia (SE <-0.5 D, 51.9% [51.2 to 52.7]; SE <-1.0 D, 39.6% [38.8 to 40.3]), high myopia (5.0% [4.7 to 5.3]), hyperopia (13.4% [12.9 to 13.9]), and astigmatism (31.2% [30.5 to 32.0]). The prevalence of myopia demonstrated a nonlinear distribution with the highest peak between the ages of 19 and 29 years. The prevalence of hyperopia decreased with age in subjects aged 39 years or younger and then increased with age in subjects aged 40 years or older. The prevalence of astigmatism gradually increased with age. Education was associated with all refractive errors; myopia was more prevalent and hyperopia and astigmatism were less prevalent in the highly educated groups. Conclusions In young generations, the prevalence of myopia in Korea was much higher compared to the white or black populations in Western countries and is consistent with the high prevalence found in most other Asian countries. The overall prevalence of hyperopia was much lower compared to that of the white Western population. Age and education level were significant predictive factors associated with all kinds of refractive errors. PMID:27247521

Static Einstein-Maxwell Black Holes with No Spatial Isometries in AdS Space.

PubMed

Herdeiro, Carlos A R; Radu, Eugen

2016-11-25

We explicitly construct static black hole solutions to the fully nonlinear, D=4, Einstein-Maxwell-anti-de Sitter (AdS) equations that have no continuous spatial symmetries. These black holes have a smooth, topologically spherical horizon (section), but without isometries, and approach, asymptotically, global AdS spacetime. They are interpreted as bound states of a horizon with the Einstein-Maxwell-AdS solitons recently discovered, for appropriate boundary data. In sharp contrast to the uniqueness results for a Minkowski electrovacuum, the existence of these black holes shows that single, equilibrium, black hole solutions in an AdS electrovacuum admit an arbitrary multipole structure.

New syndrome decoder for (n, 1) convolutional codes

NASA Technical Reports Server (NTRS)

Reed, I. S.; Truong, T. K.

1983-01-01

The letter presents a new syndrome decoding algorithm for the (n, 1) convolutional codes (CC) that is different and simpler than the previous syndrome decoding algorithm of Schalkwijk and Vinck. The new technique uses the general solution of the polynomial linear Diophantine equation for the error polynomial vector E(D). A recursive, Viterbi-like, algorithm is developed to find the minimum weight error vector E(D). An example is given for the binary nonsystematic (2, 1) CC.

Acquiring basic and advanced laparoscopic skills in novices using two-dimensional (2D), three-dimensional (3D) and ultra-high definition (4K) vision systems: A randomized control study.

PubMed

Abdelrahman, M; Belramman, A; Salem, R; Patel, B

2018-05-01

To compare the performance of novices in laparoscopic peg transfer and intra-corporeal suturing tasks in two-dimensional (2D), three-dimensional (3D) and ultra-high definition (4K) vision systems. Twenty-four novices were randomly assigned to 2D, 3D and 4K groups, eight in each group. All participants performed the two tasks on a box trainer until reaching proficiency. Their performance was assessed based on completion time, number of errors and number of repetitions using the validated FLS proficiency criteria. Eight candidates in each group completed the training curriculum. The mean performance time (in minutes) for the 2D group was 558.3, which was more than that of the 3D and 4K groups of 316.7 and 310.4 min respectively (P < 0.0001). The mean number of repetitions was lower for the 3D and 4K groups versus the 2D group: 125.9 and 127.4 respectively versus 152.1 (P < 0.0001). The mean number of errors was lower for the 4K group versus the 3D and 2D groups: 1.2 versus 26.1 and 50.2 respectively (P < 0.0001). The 4K vision system improved accuracy in acquiring laparoscopic skills for novices in complex tasks, which was shown in significant reduction in number of errors compared to the 3D and the 2D vision systems. The 3D and the 4K vision systems significantly improved speed and accuracy when compared to the 2D vision system based on shorter performance time, fewer errors and lesser number of repetitions. Copyright © 2018 IJS Publishing Group Ltd. Published by Elsevier Ltd. All rights reserved.

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→∞.

Cycloplegic autorefraction in young adults: is it mandatory?

PubMed

Mimouni, Michael; Zoller, Lilach; Horowitz, Josefa; Wygnanski-Jaffe, Tamara; Morad, Yair; Mezer, Eedy

2016-02-01

The precise correction of refractive error is especially important in young adults. It is unclear whether cycloplegic refraction is necessary in this age group. The purpose of this study was to compare the non-cycloplegic and cycloplegic spherical equivalent (SE) refractive error measured in young adults. This was a prospective study of 1400 eyes (n = 700) of enlisted soldiers aged 18 to 21 years who were consecutively evaluated in an outpatient army ophthalmology clinic. One drop of cyclopentolate 1 % was installed twice 10 min apart, and cycloplegic refraction was performed in both eyes 40 min later using an auto-refractor. The difference between non-cycloplegic and cycloplegic refractive measurements was analyzed. The mean difference in SE between non-cycloplegic and cycloplegic measurements was 0.68 ± 0.83 D (95 % CI, 0.64-0.72). Significantly greater differences were observed in hypermetropes than myopes (1.30 ± 0.90 D versus 0.46 ± 0.68 D, p < 0.001). Moderate hypermetropes (2 to 5 D) demonstrated significantly greater refractive error than mild (0.5 to 2 D) or severe (>5 D) hypermetropes (1.71 ± 1.18 D versus 1.19 ± 0.74 D and 1.16 ± 1.08 D respectively, p < 0.001). Young hypermetropic adults possessed +1 to +2 D of latent hypermetropia. In contrast, young myopic adults revealed pseudomyopia of -0.5 D. Cycloplegic refraction should be performed in young hypermetropic adults complaining of various signs of asthenopia.

Lack of dependence on resonant error field of locked mode island size in ohmic plasmas in DIII-D

NASA Astrophysics Data System (ADS)

La Haye, R. J.; Paz-Soldan, C.; Strait, E. J.

2015-02-01

DIII-D experiments show that fully penetrated resonant n = 1 error field locked modes in ohmic plasmas with safety factor q95 ≳ 3 grow to similar large disruptive size, independent of resonant error field correction. Relatively small resonant (m/n = 2/1) static error fields are shielded in ohmic plasmas by the natural rotation at the electron diamagnetic drift frequency. However, the drag from error fields can lower rotation such that a bifurcation results, from nearly complete shielding to full penetration, i.e., to a driven locked mode island that can induce disruption. Error field correction (EFC) is performed on DIII-D (in ITER relevant shape and safety factor q95 ≳ 3) with either the n = 1 C-coil (no handedness) or the n = 1 I-coil (with ‘dominantly’ resonant field pitch). Despite EFC, which allows significantly lower plasma density (a ‘figure of merit’) before penetration occurs, the resulting saturated islands have similar large size; they differ only in the phase of the locked mode after typically being pulled (by up to 30° toroidally) in the electron diamagnetic drift direction as they grow to saturation. Island amplification and phase shift are explained by a second change-of-state in which the classical tearing index changes from stable to marginal by the presence of the island, which changes the current density profile. The eventual island size is thus governed by the inherent stability and saturation mechanism rather than the driving error field.

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.

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.

Acoustic and elastic multiple scattering and radiation from cylindrical structures

NASA Astrophysics Data System (ADS)

Amirkulova, Feruza Abdukadirovna

Multiple scattering (MS) and radiation of waves by a system of scatterers is of great theoretical and practical importance and is required in a wide variety of physical contexts such as the implementation of "invisibility" cloaks, the effective parameter characterization, and the fabrication of dynamically tunable structures, etc. The dissertation develops fast, rapidly convergent iterative techniques to expedite the solution of MS problems. The formulation of MS problems reduces to a system of linear algebraic equations using Graf's theorem and separation of variables. The iterative techniques are developed using Neumann expansion and Block Toeplitz structure of the linear system; they are very general, and suitable for parallel computations and a large number of MS problems, i.e. acoustic, elastic, electromagnetic, etc., and used for the first time to solve MS problems. The theory is implemented in Matlab and FORTRAN, and the theoretical predictions are compared to computations obtained by COMSOL. To formulate the MS problem, the transition matrix is obtained by analyzing an acoustic and an elastic single scattering of incident waves by elastic isotropic and anisotropic solids. The mathematical model of wave scattering from multilayered cylindrical and spherical structures is developed by means of an exact solution of dynamic 3D elasticity theory. The recursive impedance matrix algorithm is derived for radially heterogeneous anisotropic solids. An explicit method for finding the impedance in piecewise uniform, transverse-isotropic material is proposed; the solution is compared to elasticity theory solutions involving Buchwald potentials. Furthermore, active exterior cloaking devices are modeled for acoustic and elastic media using multipole sources. A cloaking device can render an object invisible to some incident waves as seen by some external observer. The active cloak is generated by a discrete set of multipole sources that destructively interfere with an incident wave to produce zero total field over a finite spatial region. The approach precisely determines the necessary source amplitudes and enables a cloaked region to be determined using Graf's theorem. To apply the approach, the infinite series of multipole expansions are truncated, and the accuracy of cloaking is studied by modifying the truncation parameter.

A compensated multi-pole linear ion trap mercury frequency standard for ultra-stable timekeeping.

PubMed

Burt, Eric A; Diener, William A; Tjoelker, Robert L

2008-12-01

The multi-pole linear ion trap frequency standard (LITS) being developed at the Jet Propulsion Laboratory (JPL) has demonstrated excellent short- and long-term stability. The technology has now demonstrated long-term field operation providing a new capability for timekeeping standards. Recently implemented enhancements have resulted in a record line Q of 5 x 10(12) for a room temperature microwave atomic transition and a short-term fractional frequency stability of 5 x 10(-14)/tau(1/2). A scheme for compensating the second order Doppler shift has led to a reduction of the combined sensitivity to the primary LITS systematic effects below 5 x 10(-17) fractional frequency. Initial comparisons to JPL's cesium fountain clock show a systematic floor of less than 2 x 10(-16). The compensated multi-pole LITS at JPL was operated continuously and unattended for a 9-mo period from October 2006 to July 2007. During that time it was used as the frequency reference for the JPL geodetic receiver known as JPLT, enabling comparisons to any clock used as a reference for an International GNSS Service (IGS) site. Comparisons with the laser-cooled primary frequency standards that reported to the Bureau International des Poids et Mesures (BIPM) over this period show a frequency deviation less than 2.7 x 10(-17)/day. In the capacity of a stand-alone ultra-stable flywheel, such a standard could be invaluable for long-term timekeeping applications in metrology labs while its methodology and robustness make it ideal for space applications as well.

A Geomagnetic Estimate of Mean Paleointensity

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

2004-01-01

To test a statistical hypothesis about Earth's magnetic field against paleomagnetism, the present field is used to estimate time averaged paleointensity. The estimate used the modern magnetic multipole spectrum R(n), which gives the mean square induction represented by spherical harmonics of degree n averaged over the sphere of radius a = 6371.2 km. The hypothesis asserts that low degree multi-pole powers of the coresource field are distributed as chi-squared with 2n+1 degrees of freedom and expectation values, where c is the 3480 km radius of the Earth's core. (This is compatible with a usually mainly geocentric axial dipolar field). Amplitude K is estimated by fitting theoretical to observational spectra through degree 12. The resulting calibrated expectation spectrum is summed through degree 12 to estimate expected square intensity F(exp 2). The sum also estimates F(exp 2) averaged over geologic time, in so far as the present magnetic spectrum is a fair sample of that generated in the past by core geodynamic processes. Additional information is included in the original extended abstract.

Prevalence of refractive error in Europe: the European Eye Epidemiology (E(3)) Consortium.

PubMed

Williams, Katie M; Verhoeven, Virginie J M; Cumberland, Phillippa; Bertelsen, Geir; Wolfram, Christian; Buitendijk, Gabriëlle H S; Hofman, Albert; van Duijn, Cornelia M; Vingerling, Johannes R; Kuijpers, Robert W A M; Höhn, René; Mirshahi, Alireza; Khawaja, Anthony P; Luben, Robert N; Erke, Maja Gran; von Hanno, Therese; Mahroo, Omar; Hogg, Ruth; Gieger, Christian; Cougnard-Grégoire, Audrey; Anastasopoulos, Eleftherios; Bron, Alain; Dartigues, Jean-François; Korobelnik, Jean-François; Creuzot-Garcher, Catherine; Topouzis, Fotis; Delcourt, Cécile; Rahi, Jugnoo; Meitinger, Thomas; Fletcher, Astrid; Foster, Paul J; Pfeiffer, Norbert; Klaver, Caroline C W; Hammond, Christopher J

2015-04-01

To estimate the prevalence of refractive error in adults across Europe. Refractive data (mean spherical equivalent) collected between 1990 and 2013 from fifteen population-based cohort and cross-sectional studies of the European Eye Epidemiology (E(3)) Consortium were combined in a random effects meta-analysis stratified by 5-year age intervals and gender. Participants were excluded if they were identified as having had cataract surgery, retinal detachment, refractive surgery or other factors that might influence refraction. Estimates of refractive error prevalence were obtained including the following classifications: myopia ≤-0.75 diopters (D), high myopia ≤-6D, hyperopia ≥1D and astigmatism ≥1D. Meta-analysis of refractive error was performed for 61,946 individuals from fifteen studies with median age ranging from 44 to 81 and minimal ethnic variation (98 % European ancestry). The age-standardised prevalences (using the 2010 European Standard Population, limited to those ≥25 and <90 years old) were: myopia 30.6 % [95 % confidence interval (CI) 30.4-30.9], high myopia 2.7 % (95 % CI 2.69-2.73), hyperopia 25.2 % (95 % CI 25.0-25.4) and astigmatism 23.9 % (95 % CI 23.7-24.1). Age-specific estimates revealed a high prevalence of myopia in younger participants [47.2 % (CI 41.8-52.5) in 25-29 years-olds]. Refractive error affects just over a half of European adults. The greatest burden of refractive error is due to myopia, with high prevalence rates in young adults. Using the 2010 European population estimates, we estimate there are 227.2 million people with myopia across Europe.

A preliminary study for determination of three-dimensional root apex position of the maxillary teeth using camera calibration technology

PubMed Central

Oh, Hyun Jun; Yang, Il-Hyung

2016-01-01

Objectives: To propose a novel method for determining the three-dimensional (3D) root apex position of maxillary teeth using a two-dimensional (2D) panoramic radiograph image and a 3D virtual maxillary cast model. Methods: The subjects were 10 adult orthodontic patients treated with non-extraction. The multiple camera matrices were used to define transformative relationships between tooth images of the 2D panoramic radiographs and the 3D virtual maxillary cast models. After construction of the root apex-specific projective (RASP) models, overdetermined equations were used to calculate the 3D root apex position with a direct linear transformation algorithm and the known 2D co-ordinates of the root apex in the panoramic radiograph. For verification of the estimated 3D root apex position, the RASP and 3D-CT models were superimposed using a best-fit method. Then, the values of estimation error (EE; mean, standard deviation, minimum error and maximum error) between the two models were calculated. Results: The intraclass correlation coefficient values exhibited good reliability for the landmark identification. The mean EE of all root apices of maxillary teeth was 1.88 mm. The EE values, in descending order, were as follows: canine, 2.30 mm; first premolar, 1.93 mm; second premolar, 1.91 mm; first molar, 1.83 mm; second molar, 1.82 mm; lateral incisor, 1.80 mm; and central incisor, 1.53 mm. Conclusions: Camera calibration technology allows reliable determination of the 3D root apex position of maxillary teeth without the need for 3D-CT scan or tooth templates. PMID:26317151

Automatic co-registration of 3D multi-sensor point clouds

NASA Astrophysics Data System (ADS)

Persad, Ravi Ancil; Armenakis, Costas

2017-08-01

We propose an approach for the automatic coarse alignment of 3D point clouds which have been acquired from various platforms. The method is based on 2D keypoint matching performed on height map images of the point clouds. Initially, a multi-scale wavelet keypoint detector is applied, followed by adaptive non-maxima suppression. A scale, rotation and translation-invariant descriptor is then computed for all keypoints. The descriptor is built using the log-polar mapping of Gabor filter derivatives in combination with the so-called Rapid Transform. In the final step, source and target height map keypoint correspondences are determined using a bi-directional nearest neighbour similarity check, together with a threshold-free modified-RANSAC. Experiments with urban and non-urban scenes are presented and results show scale errors ranging from 0.01 to 0.03, 3D rotation errors in the order of 0.2° to 0.3° and 3D translation errors from 0.09 m to 1.1 m.

Probing the E2 properties of the scissors mode with real photons

NASA Astrophysics Data System (ADS)

Beck, Tobias; Pietralla, Norbert; Beller, Jacob; Derya, Vera; Löher, Bastian; Savran, Deniz; Tornow, Werner; Werner, Volker; Zilges, Andreas

2018-05-01

The E2/M1 multipole mixing ratio δ1→2 of the 1+ sc → 2+ 1 γ-ray transition of 156Gd and 164Dy has been measured using the linearly polarized photon beams of the HIγS facility. The employed method of photonscattering experiments in combination with polarized, quasi-monochromatic beams and a dedicated detector setup is highly sensitive to the electric quadrupole-decay properties of the scissors mode.

Dosimetric consequences of translational and rotational errors in frame-less image-guided radiosurgery

PubMed Central

2012-01-01

Background To investigate geometric and dosimetric accuracy of frame-less image-guided radiosurgery (IG-RS) for brain metastases. Methods and materials Single fraction IG-RS was practiced in 72 patients with 98 brain metastases. Patient positioning and immobilization used either double- (n = 71) or single-layer (n = 27) thermoplastic masks. Pre-treatment set-up errors (n = 98) were evaluated with cone-beam CT (CBCT) based image-guidance (IG) and were corrected in six degrees of freedom without an action level. CBCT imaging after treatment measured intra-fractional errors (n = 64). Pre- and post-treatment errors were simulated in the treatment planning system and target coverage and dose conformity were evaluated. Three scenarios of 0 mm, 1 mm and 2 mm GTV-to-PTV (gross tumor volume, planning target volume) safety margins (SM) were simulated. Results Errors prior to IG were 3.9 mm ± 1.7 mm (3D vector) and the maximum rotational error was 1.7° ± 0.8° on average. The post-treatment 3D error was 0.9 mm ± 0.6 mm. No differences between double- and single-layer masks were observed. Intra-fractional errors were significantly correlated with the total treatment time with 0.7mm±0.5mm and 1.2mm±0.7mm for treatment times ≤23 minutes and >23 minutes (p<0.01), respectively. Simulation of RS without image-guidance reduced target coverage and conformity to 75% ± 19% and 60% ± 25% of planned values. Each 3D set-up error of 1 mm decreased target coverage and dose conformity by 6% and 10% on average, respectively, with a large inter-patient variability. Pre-treatment correction of translations only but not rotations did not affect target coverage and conformity. Post-treatment errors reduced target coverage by >5% in 14% of the patients. A 1 mm safety margin fully compensated intra-fractional patient motion. Conclusions IG-RS with online correction of translational errors achieves high geometric and dosimetric accuracy. Intra-fractional errors decrease target coverage and conformity unless compensated with appropriate safety margins. PMID:22531060

High myopia in Greater Beijing School Children in 2016.

PubMed

Guo, Yin; Duan, Jia Li; Liu, Li Juan; Sun, Ying; Tang, Ping; Lv, Yan Yun; Xu, Liang; Jonas, Jost B

2017-01-01

To assess prevalence and associated factors of myopia and high myopia in schoolchildren in Greater Beijing. The school-based, cross-sectional Greater Beijing School Children Myopia study was carried out in the year 2016 in 54 schools randomly selected from 15 districts in Beijing. Non-cycloplegic auto-refractometry of the right eyes was performed. The study included 35,745 (99.4%) out of 35,968 eligible pupils with a mean age of 12.6±3.4 years (range 6-18 years). Prevalence of myopia defined as myopic refractive error of ≥-0.50 diopters (D),≥-1D,≥-6D,≥-8D and ≥-10D was 70.9%(95% confidence intervals (CI):70.5,71.4), 60.9% (95%CI:60.4,61.4), 8.6%(95%CI:8.4,8.9), 2.2%(95%CI:2.0,2.4), and 0.3% (95%CI:0.3,0.4), respectively. The frequency of high myopia (≥-6D, ≥-8D, ≥-10D) increased from 1.5% (95%CI:1.0,2.0), 0.4% (95%CI:0.1,0.6) and 0.1% (95%CI:0.00,0.02), respectively in 10-year-olds to 19.4% (95%CI:17.3,21.6), 5.2% (95%CI:4.0,6.4) and 0.9% (95%CI:0.4,1.5), respectively, in 18-year-olds. Mean refractive error in the 18-year-olds was -3.74±2.56D (median:-3.63D;range:-19.6D to + 6.25D). Higher prevalence of high myopia (≥-6D and ≥-8D) was correlated (all P<0.001) with older age (OR:1.18, and 1.15, respectively), female gender (OR: 1.44 and 1.40, respectively), higher body mass index (OR: 1.02 and 1.03, respectively), taller body height (OR: 1.03 and 1.02, respectively), urban region of habitation (OR: 1.26 and 1.33, respectively) and higher school type (OR:1.57 and 2.22, respectively). Prevalence of severe high myopia (≥-10D) was associated only with older age (P<0.001; OR: 1.44; 95%CI: 1.31, 1.59) but not with any education-related parameter such as higher school type (P = 0.48), urban region of habitation (P = 0.07) or female gender (P = 0.37). In this most recent survey, prevalence of high myopia (≥-6D:19.4%;≥-8D:5.2%;≥-10D:0.9%) in 18-year-old school children was higher than in previous surveys from mainland China. In contrast to minor high myopia and moderate high myopia (defined as myopic refractive error of <-10D), severe high myopia (myopic refractive error ≥-10D) was not strongly correlated with educational parameters.

Accuracy of three-dimensional soft tissue prediction for Le Fort I osteotomy using Dolphin 3D software: a pilot study.

PubMed

Resnick, C M; Dang, R R; Glick, S J; Padwa, B L

2017-03-01

Three-dimensional (3D) soft tissue prediction is replacing two-dimensional analysis in planning for orthognathic surgery. The accuracy of different computational models to predict soft tissue changes in 3D, however, is unclear. A retrospective pilot study was implemented to assess the accuracy of Dolphin 3D software in making these predictions. Seven patients who had a single-segment Le Fort I osteotomy and had preoperative (T 0 ) and >6-month postoperative (T 1 ) cone beam computed tomography (CBCT) scans and 3D photographs were included. The actual skeletal change was determined by subtracting the T 0 from the T 1 CBCT. 3D photographs were overlaid onto the T 0 CBCT and virtual skeletal movements equivalent to the achieved repositioning were applied using Dolphin 3D planner. A 3D soft tissue prediction (T P ) was generated and differences between the T P and T 1 images (error) were measured at 14 points and at the nasolabial angle. A mean linear prediction error of 2.91±2.16mm was found. The mean error at the nasolabial angle was 8.1±5.6°. In conclusion, the ability to accurately predict 3D soft tissue changes after Le Fort I osteotomy using Dolphin 3D software is limited. Copyright © 2016 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

Enhanced fault-tolerant quantum computing in d-level systems.

PubMed

Campbell, Earl T

2014-12-05

Error-correcting codes protect quantum information and form the basis of fault-tolerant quantum computing. Leading proposals for fault-tolerant quantum computation require codes with an exceedingly rare property, a transversal non-Clifford gate. Codes with the desired property are presented for d-level qudit systems with prime d. The codes use n=d-1 qudits and can detect up to ∼d/3 errors. We quantify the performance of these codes for one approach to quantum computation known as magic-state distillation. Unlike prior work, we find performance is always enhanced by increasing d.

Developmental compensation of imposed astigmatism is not initiated by astigmatic accommodation in chickens.

PubMed

Thomas, S; Schaeffel, F

2000-01-01

It is not clear whether emmetropization is confined to spherical refractive errors, or whether astiqmatic errors are also corrected via visual feedback. Experimental results from the animal model of the chicken are equivocal since compensation of imposed astimatic defocus was found in some but not all studies. Astigmatism could only be compensated by changes in the geometry of the cornea or lens. One has tested whether astigmatic spectacle lenses induce astigmatic accommodation as a possible first step of long-lasting compensation. Thirty-five chickens were treated with cylinder lenses (+3/0D or -3/0D) for 5 h. Refractions were determined at 1.38 m distance without cycloplegia in hand-held chicks before attaching the lenses, with the lenses on (0 h), and after 3 and 5 h, and after removal of the lenses. Spheres (S), cylinders (C) and axes (A) were determined using infrared photoretinocopy in three axes (the 'PowerRefractor', equipped with a 135 mm lens). (1) The performance of the 'PowerRefractor' was tested in the chickens with trial lenses and gave correct refractions. (2) Astigmatic trial lenses induced refractive errors as expected from their powers in the case of +3/0D lenses: (S) +3.26 +/- 0.93D, (C) -3.45 +/- 0.87D). In the case of -3/0D lenses, slightly more hyperopic spheres were induced (refractions (S) +4.5 +/- 0.48D) but the cylinders were still as expected (-3.25 +/- 0.49D). The axes of astigmatism were correctly reproduced, since rotating the lenses changed the axes of the induced cylinders as expected. (3) Neither after 3 nor after 5 h of lens wear were there significant changes in the axes or the magnitude of astigmatism. Directly after removal of the lens, the refractions did not differ from their start-up values (with +3/0D lenses: (S) +3.31 +/- 1.05D vs. +3.22 +/- 0.76D, (C) -1.19 +/- 1.77D vs. -0.65 +/- 0.94D, (A) 96 +/- 49 vs. 113 +/- 45 deg; with -3/0D lenses: (S) 2.63 +/- 1.12D vs. 2.97 +/- 0.94D, (C) -1.11 +/- 1.15D vs. -0.53 +/- 0.56D, (A) 78 +/- 24 vs. 131 +/- 35 deg). The most intuitive mechanism for compensation of astigmatic refractive errors, astigmatic accommodation, could not be demonstrated in chickens. In light of this finding, it seems unlikely that a visually controlled mechanism is operating during development to reduced astigmatism by changing corneal or lenticular growth.

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.

One-dimensional ion-beam figuring for grazing-incidence reflective optics

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

Zhou, Lin; Idir, Mourad; Bouet, Nathalie

2016-01-01

One-dimensional ion-beam figuring (1D-IBF) can improve grazing-incidence reflective optics, such as Kirkpatrick–Baez mirrors. 1D-IBF requires only one motion degree of freedom, which reduces equipment complexity, resulting in compact and low-cost IBF instrumentation. Furthermore, 1D-IBF is easy to integrate into a single vacuum system with other fabrication processes, such as a thin-film deposition. The NSLS-II Optical Metrology and Fabrication Group has recently integrated the 1D-IBF function into an existing thin-film deposition system by adding an RF ion source to the system. Using a rectangular grid, a 1D removal function needed to perform 1D-IBF has been produced. In this paper, demonstration experimentsmore » of the 1D-IBF process are presented on one spherical and two plane samples. The final residual errors on both plane samples are less than 1 nm r.m.s. In conclusion, the surface error on the spherical sample has been successfully reduced by a factor of 12. The results show that the 1D-IBF method is an effective method to process high-precision 1D synchrotron optics.« less

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

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.

Accuracy of accommodation in heterophoric patients: testing an interaction model in a large clinical sample.

PubMed

Hasebe, Satoshi; Nonaka, Fumitaka; Ohtsuki, Hiroshi

2005-11-01

A model of the cross-link interactions between accommodation and convergence predicted that heterophoria can induce large accommodation errors (Schor, Ophthalmic Physiol. Opt. 1999;19:134-150). In 99 consecutive patients with intermittent tropia or decompensated phoria, we tested these interactions by comparing their accommodative responses to a 2.50-D target under binocular fused conditions (BFC) and monocular occluded conditions (MOC). The accommodative response in BFC frequently differed from that in MOC. The magnitude of the accommodative errors in BFC, ranging from an accommodative lag of 1.80 D (in an esophoric patient) to an accommodative lead of 1.56 D (in an exophoric patient), was correlated with distance heterophoria and uncorrected refractive errors. These results indicate that heterophoria affects the accuracy of accommodation to various degrees, as the model predicted, and that an accommodative error larger than the depth of focus of the eye occurs in exchange for binocular single vision in some heterophoric patients.

Modeling MultiCoil ICPs

NASA Astrophysics Data System (ADS)

Kolobov, V. I.; Vaidya, N.; Krishnan, A.

1998-10-01

Plasma processing of 300 mm wafers and flat panels places stringent demands on plasma uniformity across large surfaces. A natural solution towards an uniform plasma in a minimum discharge volume is to maintain the plasma by an array of individual sources. Although the design of the individual sources can differ considerably, there is a common feature for all such devices which have been recently suggested by several groups: their essentially 3D geometry. Engineering design of these devices is a challenging task and computational modeling could be a very useful tool. CFD Research Corp. has developed a comprehensive software for virtual prototyping of ICP sources designed for complex 3D geometries with unstructured solution-adaptive mesh. In this paper we shall present the results of our simulation of the multipole high density source [1] which is an example of MultiCoil ICP. We shall describe the procedure of solving the electromagnetic part of the problem using magnetic vector potential and analyse design issues such as the size of dielectric windows. We shall present results of parametric studies of the source for different geometries, gas pressures and plasma densities for simple argon chemistry. [1] J.Ogle. Proc. VI Int. Workshop on Advanced Plasma Tools and Process Engineering, pp. 85-90, May 1998, Millbrae, USA.

Prevalence of amblyopia and refractive errors in an unscreened population of children.

PubMed

Polling, Jan-Roelof; Loudon, Sjoukje E; Klaver, Caroline C W

2012-11-01

To describe the frequency of refractive errors and amblyopia in unscreened children aged 2 months to 12 years from a rural town in Poland. Five hundred ninety-one children were identified by medical records and examined in a standardized manner.Visual acuity was measured using LogMAR charts; refractive error was determined using retinoscopy or autorefraction after cycloplegia. Myopia was defined as spherical equivalent (SE) ≤ -0.50 D, emmetropia as SE between -0.5 D and+0.5 D, mild hyperopia as SE between +0.5 D and +2.0 D, and high hyperopia as SE Q+2.0 D. Amblyopia was classified as best-corrected visual acuity ≥0.3 (≤ 20/40) LogMAR, in combination with a 2 LogMAR line difference between the two eyes and the presence of an amblyogenic factor. Refractive errors ranged from 84.2% in children aged up to 2 years to 75.5% in those aged 10 to 12 years.Refractive error showed a myopic shift with age; myopia prevalence increased from 2.2% in those aged 6 to 7 years to 6.3% in those aged 10 to 12 years. Of the examined children, 77 (16.3%) had refractive errors, with visual loss; of these,60 (78%) did not use corrections. The prevalence of amblyopia was 3.1%, and refractive error attributed to the amblyopiain 9 of 13 (69%) children. Refractive errors are common in Caucasian children and often remain undiagnosed. The prevalence of amblyopia was three times higher in this unscreened population compared with screened populations. Greater awarenessof these common treatable visual conditions in children is warranted.

Effects of refractive errors on visual evoked magnetic fields.

PubMed

Suzuki, Masaya; Nagae, Mizuki; Nagata, Yuko; Kumagai, Naoya; Inui, Koji; Kakigi, Ryusuke

2015-11-09

The latency and amplitude of visual evoked cortical responses are known to be affected by refractive states, suggesting that they may be used as an objective index of refractive errors. In order to establish an easy and reliable method for this purpose, we herein examined the effects of refractive errors on visual evoked magnetic fields (VEFs). Binocular VEFs following the presentation of a simple grating of 0.16 cd/m(2) in the lower visual field were recorded in 12 healthy volunteers and compared among four refractive states: 0D, +1D, +2D, and +4D, by using plus lenses. The low-luminance visual stimulus evoked a main MEG response at approximately 120 ms (M100) that reversed its polarity between the upper and lower visual field stimulations and originated from the occipital midline area. When refractive errors were induced by plus lenses, the latency of M100 increased, while its amplitude decreased with an increase in power of the lens. Differences from the control condition (+0D) were significant for all three lenses examined. The results of dipole analyses showed that evoked fields for the control (+0D) condition were explainable by one dipole in the primary visual cortex (V1), while other sources, presumably in V3 or V6, slightly contributed to shape M100 for the +2D or +4D condition. The present results showed that the latency and amplitude of M100 are both useful indicators for assessing refractive states. The contribution of neural sources other than V1 to M100 was modest under the 0D and +1D conditions. By considering the nature of the activity of M100 including its high sensitivity to a spatial frequency and lower visual field dominance, a simple low-luminance grating stimulus at an optimal spatial frequency in the lower visual field appears appropriate for obtaining data on high S/N ratios and reducing the load on subjects.

Empirical investigation into depth-resolution of Magnetotelluric data

NASA Astrophysics Data System (ADS)

Piana Agostinetti, N.; Ogaya, X.

2017-12-01

We investigate the depth-resolution of MT data comparing reconstructed 1D resistivity profiles with measured resistivity and lithostratigraphy from borehole data. Inversion of MT data has been widely used to reconstruct the 1D fine-layered resistivity structure beneath an isolated Magnetotelluric (MT) station. Uncorrelated noise is generally assumed to be associated to MT data. However, wrong assumptions on error statistics have been proved to strongly bias the results obtained in geophysical inversions. In particular the number of resolved layers at depth strongly depends on error statistics. In this study, we applied a trans-dimensional McMC algorithm for reconstructing the 1D resistivity profile near-by the location of a 1500 m-deep borehole, using MT data. We resolve the MT inverse problem imposing different models for the error statistics associated to the MT data. Following a Hierachical Bayes' approach, we also inverted for the hyper-parameters associated to each error statistics model. Preliminary results indicate that assuming un-correlated noise leads to a number of resolved layers larger than expected from the retrieved lithostratigraphy. Moreover, comparing the inversion of synthetic resistivity data obtained from the "true" resistivity stratification measured along the borehole shows that a consistent number of resistivity layers can be obtained using a Gaussian model for the error statistics, with substantial correlation length.

Occurrence of refractive errors among students who before the age of two grew up under the influence of light emitted by incandescent or fluorescent lamps.

PubMed

Czepita, Damian; Gosławski, Wojciech; Mojsa, Artur

2005-01-01

The aim of the study was to determine whether the development of refractive errors could be associated with exposure to light emitted by incandescent or fluorescent lamps. 3636 students were examined (1638 boys and 1998 girls, aged 6-18 years, mean age 12.1, SD 3.4). The examination included skiascopy with cycloplegia. Myopia was defined as refractive error < or = -0.5 D, hyperopia as refractive error > or = +1.5 D, astigmatism as refractive error > 0.5 DC. Anisometropia was diagnosed when the difference in the refraction of both eyes was > 1.0 D. The parents of all the students examined completed a questionnaire on the child's light exposure before the age oftwo. Data were analyzed statistically with the chi2 test. P values of less than 0.05 were considered statistically significant. It was observed that sleeping until the age of two in a room with a light turned on is associated with an increase in the occurrence of anisometropia (p < 0.02) as well as with a reduction in the prevalence of emmetropia (p < 0.05). It was also found that light emitted by fluorescent lamps leads to more frequent occurrence of astigmatism (p < 0.01).

Single neutral pion electroproduction off the proton in the resonance region

NASA Astrophysics Data System (ADS)

Markov, Nikolay

We study a pi0 electroproduction off the proton in the invariant mass range for the ppi0 system of W = 1.1 -- 1.8 GeV in the broad range of the photon virtualities Q2 = 0.4 -- 1.0 GeV2. The experiment was conducted in the Hall B at the Jefferson Lab with the CEBAF Large Acceptance Spectrometer (CLAS) detector which is uniquely suited for the spectroscopic measurements. The channel is identified by subsequent determination of the electron using information from the forward angle electromagnetic calorimeter and the drift chambers, and proton from the time of flight and drift chambers signals. Kinematical relations between the charged particles separate the single pion events. The detector efficiency and the geometrical acceptance are studied with the GEANT simulation of the CLAS. The exclusive channel radiative corrections are developed and applied. The full differential cross section of the pi0 electroproduction is measured with high statistical accuracy and small systematical error. The quality of the overall data analysis is checked against the firmly established benchmark reactions. The structure functions and Legendre multipoles are extracted and show the sensitivity of our measurements to the different resonance electroproduction amplitudes. The advanced phenomenological approach will be used to extract the Q2 evolution of the electromagnetic transition form factors of the different resonance states in the combined analysis of the major exclusive channels. This information will notably improve our understanding of the structure of the nucleon.

Modeling of the response of the POLARBEAR bolometers with a continuously rotating half-wave plate

NASA Astrophysics Data System (ADS)

Takakura, Satoru; POLARBEAR Collaboration

2018-01-01

The curly pattern, the so-called B-mode, in the polarization anisotropy of the cosmic microwave background (CMB) is a powerful probe to measure primordial gravitational waves from the cosmic inflation, as well as the weak lensing due to the large scale structure of the Universe. At present, ground-based CMB experiments with a few arcminutes resolution such as POLARBEAR, SPTpol, and ACTPol have successfully measured the angular power spectrum of the B-mode only in sub-degree scales, though these experiments also have potential to measure the inflationary B-modes in degree scales in absence of the low-frequency noise (1/f noise). Thus, techniques of polarization signal modulation such as a continuously rotating half-wave plate (CRHWP) are widely investigated to suppress the 1/f noise and also to reduce instrumental systematic errors. In this study, we have implemented a CRHWP placed around the prime focus of the POLARBEAR telescope and operated at ambient temperatures. We construct a comprehensive model including half-wave plate synchronous signals, detector non-linearities, beam imperfections, and all noise sources. Using this model, we show that, in practice, the 1/f noise and instrumental systematics could remain even with the CRHWP. However, we also evaluate those effects from test observations using a prototype CRHWP on the POLARBEAR telescope and find that the residual 1/f noise is sufficiently small for POLARBEAR to probe the multipoles about 40. We will also discuss prospects for future CMB experiments with better sensitivities.

Algorithm for Correcting the Keratometric Error in the Estimation of the Corneal Power in Keratoconus Eyes after Accelerated Corneal Collagen Crosslinking

PubMed Central

Caravaca-Arens, Esteban; de Fez, Dolores; Blanes-Mompó, Francisco J.

2017-01-01

Purpose To analyze the errors associated to corneal power calculation using the keratometric approach in keratoconus eyes after accelerated corneal collagen crosslinking (CXL) surgery and to obtain a model for the estimation of an adjusted corneal refractive index (nkadj) minimizing such errors. Methods Potential differences (ΔPc) among keratometric (Pk) and Gaussian corneal power (PcGauss) were simulated. Three algorithms based on the use of nkadj for the estimation of an adjusted keratometric corneal power (Pkadj) were developed. The agreement between Pk(1.3375) (keratometric power using the keratometric index of 1.3375), PcGauss, and Pkadj was evaluated. The validity of the algorithm developed was investigated in 21 keratoconus eyes undergoing accelerated CXL. Results P k(1.3375) overestimated corneal power between 0.3 and 3.2 D in theoretical simulations and between 0.8 and 2.9 D in the clinical study (ΔPc). Three linear equations were defined for nkadj to be used for different ranges of r1c. In the clinical study, differences between Pkadj and PcGauss did not exceed ±0.8 D nk = 1.3375. No statistically significant differences were found between Pkadj and PcGauss (p > 0.05) and Pk(1.3375) and Pkadj (p < 0.001). Conclusions The use of the keratometric approach in keratoconus eyes after accelerated CXL can lead to significant clinical errors. These errors can be minimized with an adjusted keratometric approach. PMID:29201459

Accommodative Performance of Children With Unilateral Amblyopia

PubMed Central

Manh, Vivian; Chen, Angela M.; Tarczy-Hornoch, Kristina; Cotter, Susan A.; Candy, T. Rowan

2015-01-01

Purpose. The purpose of this study was to compare the accommodative performance of the amblyopic eye of children with unilateral amblyopia to that of their nonamblyopic eye, and also to that of children without amblyopia, during both monocular and binocular viewing. Methods. Modified Nott retinoscopy was used to measure accommodative performance of 38 subjects with unilateral amblyopia and 25 subjects with typical vision from 3 to 13 years of age during monocular and binocular viewing at target distances of 50, 33, and 25 cm. The relationship between accommodative demand and interocular difference (IOD) in accommodative error was assessed in each group. Results. The mean IOD in monocular accommodative error for amblyopic subjects across all three viewing distances was 0.49 diopters (D) (95% confidence interval [CI], ±1.12 D) in the 180° meridian and 0.54 D (95% CI, ±1.27 D) in the 90° meridian, with the amblyopic eye exhibiting greater accommodative errors on average. Interocular difference in monocular accommodative error increased significantly with increasing accommodative demand; 5%, 47%, and 58% of amblyopic subjects had monocular errors in the amblyopic eye that fell outside the upper 95% confidence limit for the better eye of control subjects at viewing distances of 50, 33, and 25 cm, respectively. Conclusions. When viewing monocularly, children with unilateral amblyopia had greater mean accommodative errors in their amblyopic eyes than in their nonamblyopic eyes, and when compared with control subjects. This could lead to unintended retinal image defocus during patching therapy for amblyopia. PMID:25626970

Error control for reliable digital data transmission and storage systems

NASA Technical Reports Server (NTRS)

Costello, D. J., Jr.; Deng, R. H.

1985-01-01

A problem in designing semiconductor memories is to provide some measure of error control without requiring excessive coding overhead or decoding time. In LSI and VLSI technology, memories are often organized on a multiple bit (or byte) per chip basis. For example, some 256K-bit DRAM's are organized in 32Kx8 bit-bytes. Byte oriented codes such as Reed Solomon (RS) codes can provide efficient low overhead error control for such memories. However, the standard iterative algorithm for decoding RS codes is too slow for these applications. In this paper we present some special decoding techniques for extended single-and-double-error-correcting RS codes which are capable of high speed operation. These techniques are designed to find the error locations and the error values directly from the syndrome without having to use the iterative alorithm to find the error locator polynomial. Two codes are considered: (1) a d sub min = 4 single-byte-error-correcting (SBEC), double-byte-error-detecting (DBED) RS code; and (2) a d sub min = 6 double-byte-error-correcting (DBEC), triple-byte-error-detecting (TBED) RS code.

Prevalence of uncorrected refractive errors among school-age children in the School District of Philadelphia.

PubMed

Mayro, Eileen L; Hark, Lisa A; Shiuey, Eric; Pond, Michael; Siam, Linda; Hill-Bennett, Tamara; Tran, Judie; Khanna, Nitasha; Silverstein, Marlee; Donaghy, James; Zhan, Tingting; Murchison, Ann P; Levin, Alex V

2018-06-01

To determine the prevalence and severity of uncorrected refractive errors in school-age children attending Philadelphia public schools. The Wills Eye Vision Screening Program for Children is a community-based pediatric vision screening program designed to detect and correct refractive errors and refer those with nonrefractive eye diseases for examination by a pediatric ophthalmologist. Between January 2014 and June 2016 the program screened 18,974 children in grades K-5 in Philadelphia public schools. Children who failed the vision screening were further examined by an on-site ophthalmologist or optometrist; children whose decreased visual acuity was not amenable to spectacle correction were referred to a pediatric ophthalmologist. Of the 18,974 children screened, 2,492 (13.1%) exhibited uncorrected refractive errors: 1,776 (9.4%) children had myopia, 459 (2.4%) had hyperopia, 1,484 (7.8%) had astigmatism, and 846 (4.5%) had anisometropia. Of the 2,492 with uncorrected refractive error, 368 children (14.8%) had more than one refractive error diagnosis. In stratifying refractive error diagnoses by severity, mild myopia (spherical equivalent of -0.50 D to < -3.00 D) was the most common diagnosis, present in 1,573 (8.3%) children. In this urban population 13.1% of school-age children exhibited uncorrected refractive errors. Blurred vision may create challenges for students in the classroom; school-based vision screening programs can provide an avenue to identify and correct refractive errors. Copyright © 2018 American Association for Pediatric Ophthalmology and Strabismus. Published by Elsevier Inc. All rights reserved.

Hypervitaminosis D associated with a vitamin D dispensing error.

PubMed

Jacobsen, Ryan B; Hronek, Brett W; Schmidt, Ginelle A; Schilling, Margo L

2011-10-01

To report a case of hypervitaminosis D resulting in hypercalcemia and acute kidney injury in a 70-year-old female who was prescribed a standard dose of vitamin D but given a toxic dose of vitamin D 50,000 IU (1.25 mg) daily resulting from a dispensing error. A 70-year-old female in her usual state of health was instructed to begin supplementation with vitamin D 1000 IU daily. Three months later she developed confusion, slurred speech, unstable gait, and increased fatigue. She was hospitalized for hypercalcemia and acute kidney injury secondary to hypervitaminosis D. All vitamin D supplementation was discontinued and 5 months after discharge, the patient's serum calcium and vitamin D concentrations, as well as renal function, had returned to baseline values. Upon review of the patient's records, it was discovered that she had been taking vitamin D 50,000 IU daily. There is an increased interest in vitamin D, resulting in more health care providers recommending--and patients taking--supplemental vitamin D. Hypervitaminosis D is rarely reported and generally only in the setting of gross excess of vitamin D. This report highlights a case of hypervitaminosis D in the setting of a prescribed standard dose of vitamin D that resulted in toxic ingestion of vitamin D 50,000 IU daily due to a dispensing error. As more and more people use vitamin D supplements, it is important to recognize that, while rare, hypervitaminosis D is a possibility and dosage conversion of vitamin D units can result in errors. Health care providers and patients should be educated on the advantages and risks associated with vitamin D supplementation and be informed of safety measures to avoid hypervitaminosis D. In addition, health care providers should understand dosage conversion regarding vitamin D and electronic prescribing and dispensing software should be designed to detect such errors.

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.

Constraining the dipolar magnetic field of M82 X-2 by the accretion model

NASA Astrophysics Data System (ADS)

Chen, Wen-Cong

2017-02-01

Recently, ultraluminous X-ray source (ULX) M82 X-2 has been identified to be an accreting neutron star, which has a P = 1.37 s spin period, and is spinning up at a rate dot{P}=-2.0× 10^{-10} s s^{-1}. Interestingly, its isotropic X-ray luminosity Liso = 1.8 × 1040 erg s- 1 during outbursts is 100 times the Eddington limit for a 1.4 M⊙ neutron star. In this Letter, based on the standard accretion model we attempt to constrain the dipolar magnetic field of the pulsar in ULX M82 X-2. Our calculations indicate that the accretion rate at the magnetospheric radius must be super-Eddington during outbursts. To support such a super-Eddington accretion, a relatively high multipole field ( ≳ 1013 G) near the surface of the accretor is invoked to produce an accreting gas column. However, our constraint shows that the surface dipolar magnetic field of the pulsar should be in the range of 1.0-3.5 × 1012 G. Therefore, our model supports that the neutron star in ULX M82 X-2 could be a low-magnetic-field magnetar (proposed by Tong) with a normal dipolar field (˜1012 G) and relatively strong multipole field. For the large luminosity variations of this source, our scenario can also present a self-consistency interpretation.

Evaluation of Accuracy of Six Blood Glucose Monitoring Systems and Modeling of Possibly Related Insulin Dosing Errors.

PubMed

Baumstark, Annette; Jendrike, Nina; Pleus, Stefan; Haug, Cornelia; Freckmann, Guido

2017-10-01

Self-monitoring of blood glucose (BG) is an essential part of diabetes therapy. Accurate and reliable results from BG monitoring systems (BGMS) are important especially when they are used to calculate insulin doses. This study aimed at assessing system accuracy of BGMS and possibly related insulin dosing errors. System accuracy of six different BGMS (Accu-Chek ® Aviva Nano, Accu-Chek Mobile, Accu-Chek Performa Nano, CONTOUR ® NEXT LINK 2.4, FreeStyle Lite, OneTouch ® Verio ® IQ) was assessed in comparison to a glucose oxidase and a hexokinase method. Study procedures and analysis were based on ISO 15197:2013/EN ISO 15197:2015, clause 6.3. In addition, insulin dosing error was modeled. In the comparison against the glucose oxidase method, five out of six BGMS fulfilled ISO 15197:2013 accuracy criteria. Up to 14.3%/4.3%/0.3% of modeled doses resulted in errors exceeding ±0.5/±1.0/±1.5 U and missing the modeled target by 20 mg/dL/40 mg/dL/60 mg/dL, respectively. Compared against the hexokinase method, five out of six BGMS fulfilled ISO 15197:2013 accuracy criteria. Up to 25.0%/10.5%/3.2% of modeled doses resulted in errors exceeding ±0.5/±1.0/±1.5 U, respectively. Differences in system accuracy were found, even among BGMS that fulfilled the minimum system accuracy criteria of ISO 15197:2013. In the error model, considerable insulin dosing errors resulted for some of the investigated systems. Diabetes patients on insulin therapy should be able to rely on their BGMS' readings; therefore, they require highly accurate BGMS, in particular, when making therapeutic decisions.

Tree-based solvers for adaptive mesh refinement code FLASH - I: gravity and optical depths

NASA Astrophysics Data System (ADS)

Wünsch, R.; Walch, S.; Dinnbier, F.; Whitworth, A.

2018-04-01

We describe an OctTree algorithm for the MPI parallel, adaptive mesh refinement code FLASH, which can be used to calculate the gas self-gravity, and also the angle-averaged local optical depth, for treating ambient diffuse radiation. The algorithm communicates to the different processors only those parts of the tree that are needed to perform the tree-walk locally. The advantage of this approach is a relatively low memory requirement, important in particular for the optical depth calculation, which needs to process information from many different directions. This feature also enables a general tree-based radiation transport algorithm that will be described in a subsequent paper, and delivers excellent scaling up to at least 1500 cores. Boundary conditions for gravity can be either isolated or periodic, and they can be specified in each direction independently, using a newly developed generalization of the Ewald method. The gravity calculation can be accelerated with the adaptive block update technique by partially re-using the solution from the previous time-step. Comparison with the FLASH internal multigrid gravity solver shows that tree-based methods provide a competitive alternative, particularly for problems with isolated or mixed boundary conditions. We evaluate several multipole acceptance criteria (MACs) and identify a relatively simple approximate partial error MAC which provides high accuracy at low computational cost. The optical depth estimates are found to agree very well with those of the RADMC-3D radiation transport code, with the tree-solver being much faster. Our algorithm is available in the standard release of the FLASH code in version 4.0 and later.

Outcomes of LASIK and PRK in previous penetrating corneal transplant recipients.

PubMed

Kovoor, Timmy A; Mohamed, Engy; Cavanagh, H Dwight; Bowman, R Wayne

2009-09-01

To evaluate the safety and efficacy of excimer laser refractive surgery in correcting refractive error in eyes that have undergone previous penetrating keratoplasty (PK). Twenty-three keratorefractive procedures on 16 eyes from 16 consecutive subjects were evaluated between 2002 and 2008. Each patient presented a previous history of a PK with subsequent postoperative myopia and astigmatism. Keratometric value, manifest refraction, best-corrected visual acuity, uncorrected visual acuity, and complications were determined. There were a total of 14 photorefractive keratectomy (PRK) procedures performed on 11 eyes and 9 laser in situ keratomileusis (LASIK) procedures performed on 5 eyes. In the PRK group, the preoperative post-PK manifest refractive spherical equivalent and cylindrical error were -6.22 +/- 6.23 diopter and 5.23 +/- 2.26 D, respectively. The PRK postoperative manifest refractive spherical equivalent and cylindrical error were -3.61 +/- 4.23 D (P=0.25) and 3.21 +/- 1.78 D (P=0.02), respectively. In the LASIK group, the preoperative post-PK manifest refractive spherical equivalent and cylindrical error were -3.05 +/- 3.29 D and 4.11 +/- 2.38 D, respectively. The LASIK postoperative manifest refractive spherical equivalent and cylindrical error were -1.51 +/- 2.02 D (P=0.24) and 2.08 +/- 1.26 D (P=0.03), respectively. There was a 2-line or greater improvement of uncorrected visual acuity in 8 of the 14 PRK treatments and 5 of the 9 LASIK treatments. There were two episodes of acute graft rejection. One of the episodes resolved with topical and oral corticosteroids, and the other episode required a repeat corneal transplantation. PRK and LASIK are effective tools in reducing surgically induced astigmatism after penetrating corneal transplantation in most patients in this case series. The reduction of astigmatism may allow improved contact lens or spectacle fitting to achieve best-corrected binocular visual acuity.

Optimized constants for an ultraviolet light-adjustable intraocular lens.

PubMed

Conrad-Hengerer, Ina; Dick, H Burkhard; Hütz, Werner W; Haigis, Wolfgang; Hengerer, Fritz H

2011-12-01

To determine the accuracy of intraocular lens (IOL) power calculations and to suggest adjusted constants for implantation of ultraviolet light-adjustable IOLs. Center for Vision Science, Ruhr University Eye Clinic, Bochum, Germany. Cohort study. Eyes with a visually significant cataract that had phacoemulsification with implantation of a light-adjustable IOL were evaluated. IOLMaster measurements were performed before phacoemulsification and IOL implantation and 4 weeks after surgery before the first adjustment of the IOL. The difference in the expected refraction and estimation error was studied. The study evaluated 125 eyes. Using the surgical constants provided by the manufacturer of the light-adjustable IOL, the SRK/T formula gave a more hyperopic refraction than the Hoffer Q and Holladay 1 formulas. The mean error of prediction was 0.93 diopter (D) ± 0.69 (SD), 0.91 ± 0.63 D, and 0.86 ± 0.65 D, respectively. The corresponding mean absolute error of prediction was 0.98 ± 0.61 D, 0.93 ± 0.61 D, and 0.90 ± 0.59 D, respectively. With optimized constants for the formulas, the mean error of prediction was 0.00 ± 0.63 D for Hoffer Q, 0.00 ± 0.64 D for Holladay 1, and 0.00 ± 0.66 D for SRK/T. The expected refraction after phacoemulsification and implantation of a light-adjustable IOL toward the hyperopic side of the desired refraction could be considered when using the optimized constants for all formulas. Copyright © 2011 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

The nearest neighbor and the bayes error rates.

PubMed

Loizou, G; Maybank, S J

1987-02-01

The (k, l) nearest neighbor method of pattern classification is compared to the Bayes method. If the two acceptance rates are equal then the asymptotic error rates satisfy the inequalities Ek,l + 1 ¿ E*(¿) ¿ Ek,l dE*(¿), where d is a function of k, l, and the number of pattern classes, and ¿ is the reject threshold for the Bayes method. An explicit expression for d is given which is optimal in the sense that for some probability distributions Ek,l and dE* (¿) are equal.

Anisotropy in the Microwave Sky at 90 GHz: Results from Python III

NASA Astrophysics Data System (ADS)

Platt, S. R.; Kovac, J.; Dragovan, M.; Peterson, J. B.; Ruhl, J. E.

1997-01-01

The third year of observations with the Python microwave background experiment densely samples a 5.5d × 22° region of sky that includes the fields measured during the first 2 years of observations with this instrument. The sky is sampled in two multipole bands centered at l ~ 87 and l ~ 170. These two data sets are analyzed to place limits on fluctuations in the microwave sky at 90 GHz. Interpreting the observed fluctuations as anisotropy in the cosmic microwave background, we find flat-band power estimates of δTl ≡ [l(l + 1)Cl/(2π)]1/2 = 60+15-13 μK at l = 87+18-38 and δTl = 66+17-16 μK at l = 170+69-50. Combining the entire 3 year set of Python observations, we find that the angular power spectrum of fluctuations has a spectral index m = 0.16+.20-.18 and an amplitude δTle = 63+15-14 μK at le = 139+99-34 for the functional form δTl = δTle(l/le)m. The stated uncertainties in the amplitudes and spectral index represent 1 σ confidence intervals in the likelihood added in quadrature with a 20% calibration uncertainty and an estimate of the effects of a +/-0.05d uncertainty in the measured beamwidths. The limits of l are determined from the half-maximum points of the window functions.

Influence of kinetic effects on the resonance behavior of the Multipole Resonance Probe

NASA Astrophysics Data System (ADS)

Oberrath, Jens; Mussenbrock, Thomas; Brinkmann, Ralf Peter

2012-10-01

Active plasma resonance spectroscopy is a well known diagnostic method. Many concepts of this method are theoretically investigated and realized as a diagnostic tool. One of these tools is the multipole resonance probe (MRP) [1]. The application of such a probe in plasmas with pressures of only a few Pa raises the question whether kinetic effects have to be taken into account or not. To address this question a kinetic model is necessary. A general kinetic model for an electrostatic concept of active plasma resonance spectroscopy has already been presented by the authors [2]. This model can be used to describe the dynamical behavior of the MRP, which is interpretable as a special case of the general model. Neglecting electron-neutral collisions, this model can be solved analytically. Based on this solution we derive an approximated expression for the admittance of the system to investigate the influence of kinetic effects on the resonance behavior of the MRP. [4pt] [1] M. Lapke et al., Plasma Sources Sci. Technol. 20, 2011, 042001[0pt] [2] J. Oberrath et al., Proceedings of the 30th International Conference on Phenomena in Ionized Gases, 28th August - 2nd September, 2011

Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional

NASA Astrophysics Data System (ADS)

Song, Jong-Won; Hirao, Kimihiko

2015-07-01

We previously developed an efficient screened hybrid functional called Gaussian-Perdew-Burke-Ernzerhof (Gau-PBE) [Song et al., J. Chem. Phys. 135, 071103 (2011)] for large molecules and extended systems, which is characterized by the usage of a Gaussian function as a modified Coulomb potential for the Hartree-Fock (HF) exchange. We found that the adoption of a Gaussian HF exchange operator considerably decreases the calculation time cost of periodic systems while improving the reproducibility of the bandgaps of semiconductors. We present a distance-based screening scheme here that is tailored for the Gaussian HF exchange integral that utilizes multipole expansion for the Gaussian two-electron integrals. We found a new multipole screening scheme helps to save the time cost for the HF exchange integration by efficiently decreasing the number of integrals of, specifically, the near field region without incurring substantial changes in total energy. In our assessment on the periodic systems of seven semiconductors, the Gau-PBE hybrid functional with a new screening scheme has 1.56 times the time cost of a pure functional while the previous Gau-PBE was 1.84 times and HSE06 was 3.34 times.

Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional

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

Song, Jong-Won; Hirao, Kimihiko, E-mail: hirao@riken.jp

2015-07-14

We previously developed an efficient screened hybrid functional called Gaussian-Perdew–Burke–Ernzerhof (Gau-PBE) [Song et al., J. Chem. Phys. 135, 071103 (2011)] for large molecules and extended systems, which is characterized by the usage of a Gaussian function as a modified Coulomb potential for the Hartree-Fock (HF) exchange. We found that the adoption of a Gaussian HF exchange operator considerably decreases the calculation time cost of periodic systems while improving the reproducibility of the bandgaps of semiconductors. We present a distance-based screening scheme here that is tailored for the Gaussian HF exchange integral that utilizes multipole expansion for the Gaussian two-electron integrals.more » We found a new multipole screening scheme helps to save the time cost for the HF exchange integration by efficiently decreasing the number of integrals of, specifically, the near field region without incurring substantial changes in total energy. In our assessment on the periodic systems of seven semiconductors, the Gau-PBE hybrid functional with a new screening scheme has 1.56 times the time cost of a pure functional while the previous Gau-PBE was 1.84 times and HSE06 was 3.34 times.« less

Myopia progression control lens reverses induced myopia in chicks.

PubMed

Irving, Elizabeth L; Yakobchuk-Stanger, Cristina

2017-09-01

To determine whether lens induced myopia in chicks can be reversed or reduced by wearing myopia progression control lenses of the same nominal (central) power but different peripheral designs. Newly hatched chicks wore -10D Conventional lenses unilaterally for 7 days. The myopic chicks were then randomly divided into three groups: one fitted with Type 1 myopia progression control lenses, the second with Type 2 myopia progression control lenses and the third continued to wear Conventional lenses for seven more days. All lenses had -10D central power, but Type 1 and Type 2 lenses had differing peripheral designs; +2.75D and +1.32D power rise at pupil edge, respectively. Axial length and refractive error were measured on Days 0, 7 and 14. Analyses were performed on the mean differences between treated and untreated eyes. Refractive error and axial length differences between treated and untreated eyes were insignificant on Day 0. On Day 7 treated eyes were longer (T1; 0.44 ± 0.07 mm, T2; 0.27 ± 0.06 mm, C; 0.40 ± 0.06 mm) and more myopic (T1; -9.61 ± 0.52D, T2; -9.57 ± 0.61D, C; -9.50 ± 0.58D) than untreated eyes with no significant differences between treatment groups. On Day 14 myopia was reversed (+2.91 ± 1.08D), reduced (-3.83 ± 0.94D) or insignificantly increased (-11.89 ± 0.79D) in treated eyes of Type 1, Type 2 and Conventional treated chicks respectively. Relative changes in axial lengths (T1; -0.13 ± 0.09 mm, T2; 0.36 ± 0.09 mm, C; 0.56 ± 0.05 mm) were consistent with changes in refraction. Refractive error differences were significant for all group comparisons (p < 0.001). Type 1 length differences were significantly different from Conventional and Type 2 groups (p < 0.001). Myopia progression control lens designs can reverse lens-induced myopia in chicks. The effect is primarily due to axial length changes. Different lens designs produce different effects indicating that lens design is important in modifying refractive error. © 2017 The Authors. Ophthalmic and Physiological Optics published by John Wiley & Sons Ltd on behalf of College of Optometrists.

The Study of Delta Dynamics via NITROGEN-15

NASA Astrophysics Data System (ADS)

Shaw, Jeffrey Jon

The differential cross section for the reaction ^{15}N(gamma, pi^{-})^{15}O _{rm gs} was measured at a photon energy of 220 MeV. The purpose of this measurement is to study the role of the delta resonance in the nuclear medium. Two multipoles contribute to the cross section --the E0 which is delta dominated, and the M1 which is primarily nonresonant. These multipoles dominate the cross section in different kinematic regimes. Thus it is possible to focus on a particular multipole by a judicious choice of kinematics. The experiment was carried out using the tagged photon beam at the Saskatchewan Accelerator Laboratory. The target was a two-inch-diameter disc of urea isotopically enriched to >99% in ^{15 }N. A pair of scintillator range telescopes was used to detect the pions in coincidence with the photon tagger. Each telescope consisted of a stack of sixteen plastic scintillators preceded by two three-plane wire chambers. In addition, a metal degrader was placed in front of each telescope to moderate the high-energy pions so that they would stop inside the scintillator stack. By measuring the amount of material traversed by a given pion, it was possible to determine its momentum. Given the pion momentum and the photon energy, it was possible to reconstruct the entire reaction kinematics. The results of the experiment are compared to two calculations made within the framework of the Distorted -Wave Impulse Approximation. One calculation uses nuclear wave functions which are restricted to the 1p-shell while the other includes the effects of higher shells. In a similar experiment involving ^{13} C, the E0 part of the amplitude was found to be suppressed and this was interpreted as being due to the effects of higher shell configurations. In the present work, we find no evidence for such an E0 suppression.

Hadronic transition {chi}{sub c1}{yields}{eta}{sub c}{pi}{pi} at the Beijing Spectrometer BES and the Cornell CLEO-c

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

Lu Qin; Kuang Yuping; CCAST

2007-03-01

Hadronic transitions of the {chi}{sub cj} states have not been studied yet. We calculate the rate of the hadronic transition {chi}{sub c1}{yields}{eta}{sub c}{pi}{pi} in the framework of QCD multipole expansion. We show that this process can be studied experimentally at the upgraded Beijing Spectrometer BES III and the Cornell CLEO-c.

On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesis

NASA Astrophysics Data System (ADS)

Frau, J.; Price, S. L.

1996-04-01

Electrostatic and structural properties of a set of β-lactam, γ-lactam and nonlactam compounds have been analyzed and compared with those of a model of the natural substrate d-alanyl- d-alanine for the carboxy- and transpeptidase enzymes. This first comparison of the electrostatic properties has been based on a distributed multipole analysis of high-quality ab initio wave functions of the substrate and potential antibiotics. The electrostatic similarity of the substrate and active compounds is apparent, and contrasts with the electrostatic properties of the noninhibitors. This has been quantified to give a reasonable correlation with the MIC (Minimum Concentration for Inhibition) and with kinetic data (k2/K) in accordance with the model for interaction of the lactam compounds with dd-peptidase. These correlations provide a better prediction of antibacterial activity than purely structural criteria.

Design of magnetic system to produce intense beam of polarized molecules of H2 and D2

NASA Astrophysics Data System (ADS)

Yurchenko, A. V.; Nikolenko, D. M.; Rachek, I. A.; Shestakov, Yu V.; Toporkov, D. K.; Zorin, A. V.

2017-12-01

A magnetic-separating system is designed to produce polarized molecular high-density beams of H2/D2. The distribution of the magnetic field inside the aperture of the multipole magnet was calculated using the Mermaid software package. The calculation showed that the characteristic value of the magnetic field is 40 kGs, the field gradient is about 60 kGs/cm. A numerical calculation of the trajectories of the motion of molecules with different spin projections in this magnetic system is performed. The article discusses the possibility of using the magnetic system designed for the creation of a high-intensity source of polarized molecules. The expected intensity of this source is calculated. The expected flux of molecules focused in the receiver tube is 3.5·1016 mol/s for the hydrogen molecule and 2.0·1015 mol/s for the deuterium molecule.

Characterization of low-pressure microwave and radio frequency discharges in oxygen applying optical emission spectroscopy and multipole resonance probe

NASA Astrophysics Data System (ADS)

Steves, Simon; Styrnoll, Tim; Mitschker, Felix; Bienholz, Stefan; Nikita, Bibinov; Awakowicz, Peter

2013-11-01

Optical emission spectroscopy (OES) and multipole resonance probe (MRP) are adopted to characterize low-pressure microwave (MW) and radio frequency (RF) discharges in oxygen. In this context, both discharges are usually applied for the deposition of permeation barrier SiOx films on plastic foils or the inner surface of plastic bottles. For technological reasons the MW excitation is modulated and a continuous wave (cw) RF bias is used. The RF voltage produces a stationary low-density plasma, whereas the high-density MW discharge is pulsed. For the optimization of deposition process and the quality of the deposited barrier films, plasma conditions are characterized using OES and MRP. To simplify the comparison of applied diagnostics, both MW and RF discharges are studied separately in cw mode. The OES and MRP diagnostic methods complement each other and provide reliable information about electron density and electron temperature. In the MW case, electron density amounts to ne = (1.25 ± 0.26) × 1017 m-3, and kTe to 1.93 ± 0.20 eV, in the RF case ne = (6.8 ± 1.8)×1015 m-3 and kTe = 2.6 ± 0.35 eV. The corresponding gas temperatures are 760±40 K and 440±20 K.

CMB power spectrum contribution from cosmic strings using field-evolution simulations of the Abelian Higgs model

NASA Astrophysics Data System (ADS)

Bevis, Neil; Hindmarsh, Mark; Kunz, Martin; Urrestilla, Jon

2007-03-01

We present the first field-theoretic calculations of the contribution made by cosmic strings to the temperature power spectrum of the cosmic microwave background (CMB). Unlike previous work, in which strings were modeled as idealized one-dimensional objects, we evolve the simplest example of an underlying field theory containing local U(1) strings, the Abelian Higgs model. Limitations imposed by finite computational volumes are overcome using the scaling property of string networks and a further extrapolation related to the lessening of the string width in comoving coordinates. The strings and their decay products, which are automatically included in the field theory approach, source metric perturbations via their energy-momentum tensor, the unequal-time correlation functions of which are used as input into the CMB calculation phase. These calculations involve the use of a modified version of CMBEASY, with results provided over the full range of relevant scales. We find that the string tension μ required to normalize to the WMAP 3-year data at multipole ℓ=10 is Gμ=[2.04±0.06(stat.)±0.12(sys.)]×10-6, where we have quoted statistical and systematic errors separately, and G is Newton’s constant. This is a factor 2 3 higher than values in current circulation.

Will COBE challenge the inflationary paradigm - Cosmic microwave background anisotropies versus large-scale streaming motions revisited

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

Gorski, K.M.

1991-03-01

The relation between cosmic microwave background (CMB) anisotropies and large-scale galaxy streaming motions is examined within the framework of inflationary cosmology. The minimal Sachs and Wolfe (1967) CMB anisotropies at large angular scales in the models with initial Harrison-Zel'dovich spectrum of inhomogeneity normalized to the local large-scale bulk flow, which are independent of the Hubble constant and specific nature of dark matter, are found to be within the anticipated ultimate sensitivity limits of COBE's Differential Microwave Radiometer experiment. For example, the most likely value of the quadrupole coefficient is predicted to be a2 not less than 7 x 10 tomore » the -6th, where equality applies to the limiting minimal model. If (1) COBE's DMR instruments perform well throughout the two-year period; (2) the anisotropy data are not marred by the systematic errors; (3) the large-scale motions retain their present observational status; (4) there is no statistical conspiracy in a sense of the measured bulk flow being of untypically high and the large-scale anisotropy of untypically low amplitudes; and (5) the low-order multipoles in the all-sky primordial fireball temperature map are not detected, the inflationary paradigm will have to be questioned. 19 refs.« less

Translesion Synthesis of the N(2)-2'-Deoxyguanosine Adduct of the Dietary Mutagen IQ in Human Cells: Error-Free Replication by DNA Polymerase κ and Mutagenic Bypass by DNA Polymerases η, ζ, and Rev1.

PubMed

Bose, Arindam; Millsap, Amy D; DeLeon, Arnie; Rizzo, Carmelo J; Basu, Ashis K

2016-09-19

Translesion synthesis (TLS) of the N(2)-2'-deoxyguanosine (dG-N(2)-IQ) adduct of the carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) was investigated in human embryonic kidney 293T cells by replicating plasmid constructs in which the adduct was individually placed at each guanine (G1, G2, or G3) of the NarI sequence (5'-CG1G2CG3CC-3'). TLS efficiency was 38%, 29%, and 25% for the dG-N(2)-IQ located at G1, G2, and G3, respectively, which suggests that dG-N(2)-IQ is bypassed more efficiently by one or more DNA polymerases at G1 than at either G2 or G3. TLS efficiency was decreased 8-35% in cells with knockdown of pol η, pol κ, pol ι, pol ζ, or Rev1. Up to 75% reduction in TLS occurred when pol η, pol ζ, and Rev1 were simultaneously knocked down, suggesting that these three polymerases play important roles in dG-N(2)-IQ bypass. Mutation frequencies (MFs) of dG-N(2)-IQ at G1, G2, and G3 were 23%, 17%, and 11%, respectively, exhibiting a completely reverse trend of the previously reported MF of the C8-dG adduct of IQ (dG-C8-IQ), which is most mutagenic at G3 ( ( 2015 ) Nucleic Acids Res. 43 , 8340 - 8351 ). The major type of mutation induced by dG-N(2)-IQ was targeted G → T, as was reported for dG-C8-IQ. In each site, knockdown of pol κ resulted in an increase in MF, whereas MF was reduced when pol η, pol ι, pol ζ, or Rev1 was knocked down. The reduction in MF was most pronounced when pol η, pol ζ, and Rev1 were simultaneously knocked down and especially when the adduct was located at G3, where MF was reduced by 90%. We conclude that pol κ predominantly performs error-free TLS of the dG-N(2)-IQ adduct, whereas pols η, pol ζ, and Rev1 cooperatively carry out the error-prone TLS. However, in vitro experiments using yeast pol ζ and κ showed that the former was inefficient in full-length primer extension on dG-N(2)-IQ templates, whereas the latter was efficient in both error-free and error-prone extensions. We believe that the observed differences between the in vitro experiments using purified DNA polymerases, and the cellular results may arise from several factors including the crucial roles played by the accessory proteins in TLS.

Translesion Synthesis of the N2-2′-Deoxyguanosine Adduct of the Dietary Mutagen IQ in Human Cells: Error-Free Replication by DNA Polymerase κ and Mutagenic Bypass by DNA Polymerases η, ζ, and Rev1

PubMed Central

2016-01-01

Translesion synthesis (TLS) of the N2-2′-deoxyguanosine (dG-N2-IQ) adduct of the carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) was investigated in human embryonic kidney 293T cells by replicating plasmid constructs in which the adduct was individually placed at each guanine (G1, G2, or G3) of the NarI sequence (5′-CG1G2CG3CC-3′). TLS efficiency was 38%, 29%, and 25% for the dG-N2-IQ located at G1, G2, and G3, respectively, which suggests that dG-N2-IQ is bypassed more efficiently by one or more DNA polymerases at G1 than at either G2 or G3. TLS efficiency was decreased 8–35% in cells with knockdown of pol η, pol κ, pol ι, pol ζ, or Rev1. Up to 75% reduction in TLS occurred when pol η, pol ζ, and Rev1 were simultaneously knocked down, suggesting that these three polymerases play important roles in dG-N2-IQ bypass. Mutation frequencies (MFs) of dG-N2-IQ at G1, G2, and G3 were 23%, 17%, and 11%, respectively, exhibiting a completely reverse trend of the previously reported MF of the C8-dG adduct of IQ (dG-C8-IQ), which is most mutagenic at G3 ((2015) Nucleic Acids Res.43, 8340−835126220181). The major type of mutation induced by dG-N2-IQ was targeted G → T, as was reported for dG-C8-IQ. In each site, knockdown of pol κ resulted in an increase in MF, whereas MF was reduced when pol η, pol ι, pol ζ, or Rev1 was knocked down. The reduction in MF was most pronounced when pol η, pol ζ, and Rev1 were simultaneously knocked down and especially when the adduct was located at G3, where MF was reduced by 90%. We conclude that pol κ predominantly performs error-free TLS of the dG-N2-IQ adduct, whereas pols η, pol ζ, and Rev1 cooperatively carry out the error-prone TLS. However, in vitro experiments using yeast pol ζ and κ showed that the former was inefficient in full-length primer extension on dG-N2-IQ templates, whereas the latter was efficient in both error-free and error-prone extensions. We believe that the observed differences between the in vitro experiments using purified DNA polymerases, and the cellular results may arise from several factors including the crucial roles played by the accessory proteins in TLS. PMID:27490094

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

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.

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

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.

Helicon waves in uniform plasmas. II. High m numbers

NASA Astrophysics Data System (ADS)

Stenzel, R. L.; Urrutia, J. M.

2015-09-01

Helicons are whistler modes with azimuthal wave numbers. They have been studied in solids and plasmas where boundaries play a role. The present work shows that very similar modes exist in unbounded gaseous plasmas. Instead of boundaries, the antenna properties determine the topology of the wave packets. The simplest antenna is a magnetic loop which excites m = 0 or m = 1 helicons depending on whether the dipole moment is aligned parallel or perpendicular to the ambient background magnetic field B0. While these low order helicons have been described by J. M. Urrutia and R. L. Stenzel ["Helicon modes in uniform plasmas. I. Low m modes," Phys. Plasmas 22, 092111 (2015)], the present work focuses on high order modes up to m = 8. These are excited by antenna arrays forming magnetic multipoles. Their wave magnetic field has been measured in space and time in a large and uniform laboratory plasma free of boundary effects. The observed wave topology exhibits m pairs of unique field line spirals which may have inspired the name "helicon" to this mode. All field lines converge into these nested spirals which propagate like corkscrews along B0. The field lines near the axis of helicons are perpendicular to B0 and circularly polarized as in parallel whistlers. Helical antennas couple to these transverse fields but not to the spiral fields of helicons. Using a circular antenna array of phased m = 0 loops, right or left rotating or non-rotating multipole antenna fields are generated. They excite m < 0 and m > 0 modes, showing that the plasma supports both modes equally well. The poor excitation of m < 0 modes is a characteristic of loops with dipole moment across B0. The radiation efficiency of multipole antennas has been found to decrease with m.

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.

Piggyback intraocular lens implantation to correct pseudophakic refractive error after segmental multifocal intraocular lens implantation.

PubMed

Venter, Jan A; Oberholster, Andre; Schallhorn, Steven C; Pelouskova, Martina

2014-04-01

To evaluate refractive and visual outcomes of secondary piggyback intraocular lens implantation in patients diagnosed as having residual ametropia following segmental multifocal lens implantation. Data of 80 pseudophakic eyes with ametropia that underwent Sulcoflex aspheric 653L intraocular lens implantation (Rayner Intraocular Lenses Ltd., East Sussex, United Kingdom) to correct residual refractive error were analyzed. All eyes previously had in-the-bag zonal refractive multifocal intraocular lens implantation (Lentis Mplus MF30, models LS-312 and LS-313; Oculentis GmbH, Berlin, Germany) and required residual refractive error correction. Outcome measurements included uncorrected distance visual acuity, corrected distance visual acuity, uncorrected near visual acuity, distance-corrected near visual acuity, manifest refraction, and complications. One-year data are presented in this study. The mean spherical equivalent ranged from -1.75 to +3.25 diopters (D) preoperatively (mean: +0.58 ± 1.15 D) and reduced to -1.25 to +0.50 D (mean: -0.14 ± 0.28 D; P < .01). Postoperatively, 93.8% of eyes were within ±0.50 D and 98.8% were within ±1.00 D of emmetropia. The mean uncorrected distance visual acuity improved significantly from 0.28 ± 0.16 to 0.01 ± 0.10 logMAR and 78.8% of eyes achieved 6/6 (Snellen 20/20) or better postoperatively. The mean uncorrected near visual acuity changed from 0.43 ± 0.28 to 0.19 ± 0.15 logMAR. There was no significant change in corrected distance visual acuity or distance-corrected near visual acuity. No serious intraoperative or postoperative complications requiring secondary intraocular lens removal occurred. Sulcoflex lenses proved to be a predictable and safe option for correcting residual refractive error in patients diagnosed as having pseudophakia. Copyright 2014, SLACK Incorporated.

Clinical implementation and error sensitivity of a 3D quality assurance protocol for prostate and thoracic IMRT

PubMed Central

Cotter, Christopher; Turcotte, Julie Catherine; Crawford, Bruce; Sharp, Gregory; Mah'D, Mufeed

2015-01-01

This work aims at three goals: first, to define a set of statistical parameters and plan structures for a 3D pretreatment thoracic and prostate intensity‐modulated radiation therapy (IMRT) quality assurance (QA) protocol; secondly, to test if the 3D QA protocol is able to detect certain clinical errors; and third, to compare the 3D QA method with QA performed with single ion chamber and 2D gamma test in detecting those errors. The 3D QA protocol measurements were performed on 13 prostate and 25 thoracic IMRT patients using IBA's COMPASS system. For each treatment planning structure included in the protocol, the following statistical parameters were evaluated: average absolute dose difference (AADD), percent structure volume with absolute dose difference greater than 6% (ADD6), and 3D gamma test. To test the 3D QA protocol error sensitivity, two prostate and two thoracic step‐and‐shoot IMRT patients were investigated. Errors introduced to each of the treatment plans included energy switched from 6 MV to 10 MV, multileaf collimator (MLC) leaf errors, linac jaws errors, monitor unit (MU) errors, MLC and gantry angle errors, and detector shift errors. QA was performed on each plan using a single ion chamber and 2D array of ion chambers for 2D and 3D QA. Based on the measurements performed, we established a uniform set of tolerance levels to determine if QA passes for each IMRT treatment plan structure: maximum allowed AADD is 6%; maximum 4% of any structure volume can be with ADD6 greater than 6%, and maximum 4% of any structure volume may fail 3D gamma test with test parameters 3%/3 mm DTA. Out of the three QA methods tested the single ion chamber performed the worst by detecting 4 out of 18 introduced errors, 2D QA detected 11 out of 18 errors, and 3D QA detected 14 out of 18 errors. PACS number: 87.56.Fc PMID:26699299

Pepsi-SAXS: an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles.

PubMed

Grudinin, Sergei; Garkavenko, Maria; Kazennov, Andrei

2017-05-01

A new method called Pepsi-SAXS is presented that calculates small-angle X-ray scattering profiles from atomistic models. The method is based on the multipole expansion scheme and is significantly faster compared with other tested methods. In particular, using the Nyquist-Shannon-Kotelnikov sampling theorem, the multipole expansion order is adapted to the size of the model and the resolution of the experimental data. It is argued that by using the adaptive expansion order, this method has the same quadratic dependence on the number of atoms in the model as the Debye-based approach, but with a much smaller prefactor in the computational complexity. The method has been systematically validated on a large set of over 50 models collected from the BioIsis and SASBDB databases. Using a laptop, it was demonstrated that Pepsi-SAXS is about seven, 29 and 36 times faster compared with CRYSOL, FoXS and the three-dimensional Zernike method in SAStbx, respectively, when tested on data from the BioIsis database, and is about five, 21 and 25 times faster compared with CRYSOL, FoXS and SAStbx, respectively, when tested on data from SASBDB. On average, Pepsi-SAXS demonstrates comparable accuracy in terms of χ 2 to CRYSOL and FoXS when tested on BioIsis and SASBDB profiles. Together with a small allowed variation of adjustable parameters, this demonstrates the effectiveness of the method. Pepsi-SAXS is available at http://team.inria.fr/nano-d/software/pepsi-saxs.

Accuracy and Repeatability of Trajectory Rod Measurement Using Laser Scanners.

PubMed

Liscio, Eugene; Guryn, Helen; Stoewner, Daniella

2017-12-22

Three-dimensional (3D) technologies contribute greatly to bullet trajectory analysis and shooting reconstruction. There are few papers which address the errors associated with utilizing laser scanning for bullet trajectory documentation. This study examined the accuracy and precision of laser scanning for documenting trajectory rods in drywall for angles between 25° and 90°. The inherent error range of 0.02°-2.10° was noted while the overall error for laser scanning ranged between 0.04° and 1.98°. The inter- and intraobserver errors for trajectory rod placement and virtual trajectory marking showed that the range of variation for rod placement was between 0.1°-1° in drywall and 0.05°-0.5° in plywood. Virtual trajectory marking accuracy tests showed that 75% of data values were below 0.91° and 0.61° on azimuth and vertical angles, respectively. In conclusion, many contributing factors affect bullet trajectory analysis, and the use of 3D technologies can aid in reduction of errors associated with documentation. © 2017 American Academy of Forensic Sciences.

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.

Estimating extreme stream temperatures by the standard deviate method

NASA Astrophysics Data System (ADS)

Bogan, Travis; Othmer, Jonathan; Mohseni, Omid; Stefan, Heinz

2006-02-01

It is now widely accepted that global climate warming is taking place on the earth. Among many other effects, a rise in air temperatures is expected to increase stream temperatures indefinitely. However, due to evaporative cooling, stream temperatures do not increase linearly with increasing air temperatures indefinitely. Within the anticipated bounds of climate warming, extreme stream temperatures may therefore not rise substantially. With this concept in mind, past extreme temperatures measured at 720 USGS stream gauging stations were analyzed by the standard deviate method. In this method the highest stream temperatures are expressed as the mean temperature of a measured partial maximum stream temperature series plus its standard deviation multiplied by a factor KE (standard deviate). Various KE-values were explored; values of KE larger than 8 were found physically unreasonable. It is concluded that the value of KE should be in the range from 7 to 8. A unit error in estimating KE translates into a typical stream temperature error of about 0.5 °C. Using a logistic model for the stream temperature/air temperature relationship, a one degree error in air temperature gives a typical error of 0.16 °C in stream temperature. With a projected error in the enveloping standard deviate dKE=1.0 (range 0.5-1.5) and an error in projected high air temperature d Ta=2 °C (range 0-4 °C), the total projected stream temperature error is estimated as d Ts=0.8 °C.

3D foot shape generation from 2D information.

PubMed

Luximon, Ameersing; Goonetilleke, Ravindra S; Zhang, Ming

2005-05-15

Two methods to generate an individual 3D foot shape from 2D information are proposed. A standard foot shape was first generated and then scaled based on known 2D information. In the first method, the foot outline and the foot height were used, and in the second, the foot outline and the foot profile were used. The models were developed using 40 participants and then validated using a different set of 40 participants. Results show that each individual foot shape can be predicted within a mean absolute error of 1.36 mm for the left foot and 1.37 mm for the right foot using the first method, and within a mean absolute error of 1.02 mm for the left foot and 1.02 mm for the right foot using the second method. The second method shows somewhat improved accuracy even though it requires two images. Both the methods are relatively cheaper than using a scanner to determine the 3D foot shape for custom footwear design.

Five-Year Progression of Refractive Errors and Incidence of Myopia in School-Aged Children in Western China

PubMed Central

Zhou, Wen-Jun; Zhang, Yong-Ye; Li, Hua; Wu, Yu-Fei; Xu, Ji; Lv, Sha; Li, Ge; Liu, Shi-Chun; Song, Sheng-Fang

2016-01-01

Background To determine the change in refractive error and the incidence of myopia among school-aged children in the Yongchuan District of Chongqing City, Western China. Methods A population-based cross-sectional survey was initially conducted in 2006 among 3070 children aged 6 to 15 years. A longitudinal follow-up study was then conducted 5 years later between November 2011 and March 2012. Refractive error was measured under cycloplegia with autorefraction. Age, sex, and baseline refractive error were evaluated as risk factors for progression of refractive error and incidence of myopia. Results Longitudinal data were available for 1858 children (60.5%). The cumulative mean change in refractive error was −2.21 (standard deviation [SD], 1.87) diopters (D) for the entire study population, with an annual progression of refraction in a myopic direction of −0.43 D. Myopic progression of refractive error was associated with younger age, female sex, and higher myopic or hyperopic refractive error at baseline. The cumulative incidence of myopia, defined as a spherical equivalent refractive error of −0.50 D or more, among initial emmetropes and hyperopes was 54.9% (95% confidence interval [CI], 45.2%–63.5%), with an annual incidence of 10.6% (95% CI, 8.7%–13.1%). Myopia was found more likely to happen in female and older children. Conclusions In Western China, both myopic progression and incidence of myopia were higher than those of children from most other locations in China and from the European Caucasian population. Compared with a previous study in China, there was a relative increase in annual myopia progression and annual myopia incidence, a finding which is consistent with the increasing trend on prevalence of myopia in China. PMID:26875599

Five-Year Progression of Refractive Errors and Incidence of Myopia in School-Aged Children in Western China.

PubMed

Zhou, Wen-Jun; Zhang, Yong-Ye; Li, Hua; Wu, Yu-Fei; Xu, Ji; Lv, Sha; Li, Ge; Liu, Shi-Chun; Song, Sheng-Fang

2016-07-05

To determine the change in refractive error and the incidence of myopia among school-aged children in the Yongchuan District of Chongqing City, Western China. A population-based cross-sectional survey was initially conducted in 2006 among 3070 children aged 6 to 15 years. A longitudinal follow-up study was then conducted 5 years later between November 2011 and March 2012. Refractive error was measured under cycloplegia with autorefraction. Age, sex, and baseline refractive error were evaluated as risk factors for progression of refractive error and incidence of myopia. Longitudinal data were available for 1858 children (60.5%). The cumulative mean change in refractive error was -2.21 (standard deviation [SD], 1.87) diopters (D) for the entire study population, with an annual progression of refraction in a myopic direction of -0.43 D. Myopic progression of refractive error was associated with younger age, female sex, and higher myopic or hyperopic refractive error at baseline. The cumulative incidence of myopia, defined as a spherical equivalent refractive error of -0.50 D or more, among initial emmetropes and hyperopes was 54.9% (95% confidence interval [CI], 45.2%-63.5%), with an annual incidence of 10.6% (95% CI, 8.7%-13.1%). Myopia was found more likely to happen in female and older children. In Western China, both myopic progression and incidence of myopia were higher than those of children from most other locations in China and from the European Caucasian population. Compared with a previous study in China, there was a relative increase in annual myopia progression and annual myopia incidence, a finding which is consistent with the increasing trend on prevalence of myopia in China.

SU-F-J-126: Influence of Six Dimensional Motions in Frameless Stereotactic Dosimetry Incorporating Rotational Shifts as Equivalent Translational Shifts: A Feasibility Study for Elekta-BrainLAB Stereotactic System

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

Sarkar, B; GLA University, Mathura, UP; Manikandan, A

2016-06-15

Purpose: Six dimensional positional shifts (translational and rotational) determined by a volumetric imaging system were mathematically combined and incorporated as simple translational shifts and the resultant impact on dose characteristics was studied. Methods: Thirty patients who underwent either single fraction (12 Gy) or five fractions (5 Gy per fraction) stereotactic treatments were included in this study. They were immobilized using a double layered thermoplastic mask from BrainLAB. Isocenter matching was done using infrared marker of ExacTrac. An initial cone beam CT (CBCT) gave positional shifts in 6-dimensions that were applied through 6-D motion enabled couch. A verification CBCT was donemore » following corrections before treatment. These 6-D positional shifts determined at each imaging session from the first CBCT were mathematically combined to give three simple translational shifts. Doses were recalculated in the patient matrix with these positional errors present by moving the whole image dataset. Doses were also recalculated after second CBCT with only residual errors present. PTV dose statistics were compared. Results: For the approved plans V100%(PTV), V100%(GTV), D95%(PTV), D95%(GTV), D1%(PTV) and D1%(GTV) were 96.2±3.0%, 98.2±1.4%, 102%±1.7%, 103±1.2%, 107.9±8.9% and 109.3±7.5% of prescription dose respectively. With the positional errors present (after 1st CBCT) the corresponding values were 86.7±4.9%, 91.3±2.9%, 89.6±4.2%, 95.9±3.7%, 108.3±9.9% and 108.6±4.5%. Post-correction (after 2nd CBCT) with only residual errors present, values were 94.5±5.7%, 97.3±2.9%, 99.3%±3.2%, 102%±2.1%, 107.6±8.5% and 109.0±7.6% respectively. Significant and nominal OAR dose variation was observed between pre- and post-table corrections. Conclusion: Positional errors significantly affect PTV dose statistics. They need to be corrected before delivery of stereotactic treatments although the magnitude of dose changes can vary from patient-to-patient depending on the tumor location. As expected after the table corrections, residual errors result in insignificant dose deviations. For frameless stereotactic treatments having a six-dimensional motion enabled couch is highly recommended to reduce quantum of dose deviations.« less

A modified technique to reduce tibial keel cutting errors during an Oxford unicompartmental knee arthroplasty.

PubMed

Inui, Hiroshi; Taketomi, Shuji; Tahara, Keitarou; Yamagami, Ryota; Sanada, Takaki; Tanaka, Sakae

2017-03-01

Bone cutting errors can cause malalignment of unicompartmental knee arthroplasties (UKA). Although the extent of tibial malalignment due to horizontal cutting errors has been well reported, there is a lack of studies evaluating malalignment as a consequence of keel cutting errors, particularly in the Oxford UKA. The purpose of this study was to examine keel cutting errors during Oxford UKA placement using a navigation system and to clarify whether two different tibial keel cutting techniques would have different error rates. The alignment of the tibial cut surface after a horizontal osteotomy and the surface of the tibial trial component was measured with a navigation system. Cutting error was defined as the angular difference between these measurements. The following two techniques were used: the standard "pushing" technique in 83 patients (group P) and a modified "dolphin" technique in 41 patients (group D). In all 123 patients studied, the mean absolute keel cutting error was 1.7° and 1.4° in the coronal and sagittal planes, respectively. In group P, there were 22 outlier patients (27 %) in the coronal plane and 13 (16 %) in the sagittal plane. Group D had three outlier patients (8 %) in the coronal plane and none (0 %) in the sagittal plane. Significant differences were observed in the outlier ratio of these techniques in both the sagittal (P = 0.014) and coronal (P = 0.008) planes. Our study demonstrated overall keel cutting errors of 1.7° in the coronal plane and 1.4° in the sagittal plane. The "dolphin" technique was found to significantly reduce keel cutting errors on the tibial side. This technique will be useful for accurate component positioning and therefore improve the longevity of Oxford UKAs. Retrospective comparative study, Level III.

A model-based 3D patient-specific pre-treatment QA method for VMAT using the EPID

NASA Astrophysics Data System (ADS)

McCowan, P. M.; Asuni, G.; van Beek, T.; van Uytven, E.; Kujanpaa, K.; McCurdy, B. M. C.

2017-02-01

This study reports the development and validation of a model-based, 3D patient dose reconstruction method for pre-treatment quality assurance using EPID images. The method is also investigated for sensitivity to potential MLC delivery errors. Each cine-mode EPID image acquired during plan delivery was processed using a previously developed back-projection dose reconstruction model providing a 3D dose estimate on the CT simulation data. Validation was carried out using 24 SBRT-VMAT patient plans by comparing: (1) ion chamber point dose measurements in a solid water phantom, (2) the treatment planning system (TPS) predicted 3D dose to the EPID reconstructed 3D dose in a solid water phantom, and (3) the TPS predicted 3D dose to the EPID and our forward predicted reconstructed 3D dose in the patient (CT data). AAA and AcurosXB were used for TPS predictions. Dose distributions were compared using 3%/3 mm (95% tolerance) and 2%/2 mm (90% tolerance) γ-tests in the planning target volume (PTV) and 20% dose volumes. The average percentage point dose differences between the ion chamber and the EPID, AcurosXB, and AAA were 0.73  ±  1.25%, 0.38  ±  0.96% and 1.06  ±  1.34% respectively. For the patient (CT) dose comparisons, seven (3%/3 mm) and nine (2%/2 mm) plans failed the EPID versus AAA. All plans passed the EPID versus Acuros XB and the EPID versus forward model γ-comparisons. Four types of MLC sensitive errors (opening, shifting, stuck, and retracting), of varying magnitude (0.2, 0.5, 1.0, 2.0 mm), were introduced into six different SBRT-VMAT plans. γ-comparisons of the erroneous EPID dose and original predicted dose were carried out using the same criteria as above. For all plans, the sensitivity testing using a 3%/3 mm γ-test in the PTV successfully determined MLC errors on the order of 1.0 mm, except for the single leaf retraction-type error. A 2%/2 mm criteria produced similar results with two more additional detected errors.

Electrostatic contribution to the persistence length of a semiflexible dipolar chain.

PubMed

Podgornik, Rudi

2004-09-01

We investigate the electrostatic contribution to the persistence length of a semiflexible polymer chain whose segments interact via a screened Debye-Hückel dipolar interaction potential. We derive the expressions for the renormalized persistence length on the level of a 1/D-expansion method already successfully used in other contexts of polyelectrolye physics. We investigate different limiting forms of the renormalized persistence length of the dipolar chain and show that, in, general, it depends less strongly on the screening length than in the context of a monopolar chain. We show that for a dipolar chain the electrostatic persistence length in the same regime of the parameter phase space as the original Odijk-Skolnick-Fixman (OSF) form for a monopolar chain depends logarithmically on the screening length rather than quadratically. This can be understood solely on the basis of a swifter decay of the dipolar interactions with separation compared to the monopolar electrostatic interactions. We comment also on the general contribution of higher multipoles to the electrostatic renormalization of the bending rigidity.

Experimental determination of the navigation error of the 4-D navigation, guidance, and control systems on the NASA B-737 airplane

NASA Technical Reports Server (NTRS)

Knox, C. E.

1978-01-01

Navigation error data from these flights are presented in a format utilizing three independent axes - horizontal, vertical, and time. The navigation position estimate error term and the autopilot flight technical error term are combined to form the total navigation error in each axis. This method of error presentation allows comparisons to be made between other 2-, 3-, or 4-D navigation systems and allows experimental or theoretical determination of the navigation error terms. Position estimate error data are presented with the navigation system position estimate based on dual DME radio updates that are smoothed with inertial velocities, dual DME radio updates that are smoothed with true airspeed and magnetic heading, and inertial velocity updates only. The normal mode of navigation with dual DME updates that are smoothed with inertial velocities resulted in a mean error of 390 m with a standard deviation of 150 m in the horizontal axis; a mean error of 1.5 m low with a standard deviation of less than 11 m in the vertical axis; and a mean error as low as 252 m with a standard deviation of 123 m in the time axis.

On the inversion of geodetic integrals defined over the sphere using 1-D FFT

NASA Astrophysics Data System (ADS)

García, R. V.; Alejo, C. A.

2005-08-01

An iterative method is presented which performs inversion of integrals defined over the sphere. The method is based on one-dimensional fast Fourier transform (1-D FFT) inversion and is implemented with the projected Landweber technique, which is used to solve constrained least-squares problems reducing the associated 1-D cyclic-convolution error. The results obtained are as precise as the direct matrix inversion approach, but with better computational efficiency. A case study uses the inversion of Hotine’s integral to obtain gravity disturbances from geoid undulations. Numerical convergence is also analyzed and comparisons with respect to the direct matrix inversion method using conjugate gradient (CG) iteration are presented. Like the CG method, the number of iterations needed to get the optimum (i.e., small) error decreases as the measurement noise increases. Nevertheless, for discrete data given over a whole parallel band, the method can be applied directly without implementing the projected Landweber method, since no cyclic convolution error exists.

Refractive errors in medical students in Singapore.

PubMed

Woo, W W; Lim, K A; Yang, H; Lim, X Y; Liew, F; Lee, Y S; Saw, S M

2004-10-01

Refractive errors are becoming more of a problem in many societies, with prevalence rates of myopia in many Asian urban countries reaching epidemic proportions. This study aims to determine the prevalence rates of various refractive errors in Singapore medical students. 157 second year medical students (aged 19-23 years) in Singapore were examined. Refractive error measurements were determined using a stand-alone autorefractor. Additional demographical data was obtained via questionnaires filled in by the students. The prevalence rate of myopia in Singapore medical students was 89.8 percent (Spherical equivalence (SE) at least -0.50 D). Hyperopia was present in 1.3 percent (SE more than +0.50 D) of the participants and the overall astigmatism prevalence rate was 82.2 percent (Cylinder at least 0.50 D). Prevalence rates of myopia and astigmatism in second year Singapore medical students are one of the highest in the world.

Error analysis of 3D-PTV through unsteady interfaces

NASA Astrophysics Data System (ADS)

Akutina, Yulia; Mydlarski, Laurent; Gaskin, Susan; Eiff, Olivier

2018-03-01

The feasibility of stereoscopic flow measurements through an unsteady optical interface is investigated. Position errors produced by a wavy optical surface are determined analytically, as are the optimal viewing angles of the cameras to minimize such errors. Two methods of measuring the resulting velocity errors are proposed. These methods are applied to 3D particle tracking velocimetry (3D-PTV) data obtained through the free surface of a water flow within a cavity adjacent to a shallow channel. The experiments were performed using two sets of conditions, one having no strong surface perturbations, and the other exhibiting surface gravity waves. In the latter case, the amplitude of the gravity waves was 6% of the water depth, resulting in water surface inclinations of about 0.2°. (The water depth is used herein as a relevant length scale, because the measurements are performed in the entire water column. In a more general case, the relevant scale is the maximum distance from the interface to the measurement plane, H, which here is the same as the water depth.) It was found that the contribution of the waves to the overall measurement error is low. The absolute position errors of the system were moderate (1.2% of H). However, given that the velocity is calculated from the relative displacement of a particle between two frames, the errors in the measured water velocities were reasonably small, because the error in the velocity is the relative position error over the average displacement distance. The relative position error was measured to be 0.04% of H, resulting in small velocity errors of 0.3% of the free-stream velocity (equivalent to 1.1% of the average velocity in the domain). It is concluded that even though the absolute positions to which the velocity vectors are assigned is distorted by the unsteady interface, the magnitude of the velocity vectors themselves remains accurate as long as the waves are slowly varying (have low curvature). The stronger the disturbances on the interface are (high amplitude, short wave length), the smaller is the distance from the interface at which the measurements can be performed.

Ultrasound fusion image error correction using subject-specific liver motion model and automatic image registration.

PubMed

Yang, Minglei; Ding, Hui; Zhu, Lei; Wang, Guangzhi

2016-12-01

Ultrasound fusion imaging is an emerging tool and benefits a variety of clinical applications, such as image-guided diagnosis and treatment of hepatocellular carcinoma and unresectable liver metastases. However, respiratory liver motion-induced misalignment of multimodal images (i.e., fusion error) compromises the effectiveness and practicability of this method. The purpose of this paper is to develop a subject-specific liver motion model and automatic registration-based method to correct the fusion error. An online-built subject-specific motion model and automatic image registration method for 2D ultrasound-3D magnetic resonance (MR) images were combined to compensate for the respiratory liver motion. The key steps included: 1) Build a subject-specific liver motion model for current subject online and perform the initial registration of pre-acquired 3D MR and intra-operative ultrasound images; 2) During fusion imaging, compensate for liver motion first using the motion model, and then using an automatic registration method to further correct the respiratory fusion error. Evaluation experiments were conducted on liver phantom and five subjects. In the phantom study, the fusion error (superior-inferior axis) was reduced from 13.90±2.38mm to 4.26±0.78mm by using the motion model only. The fusion error further decreased to 0.63±0.53mm by using the registration method. The registration method also decreased the rotation error from 7.06±0.21° to 1.18±0.66°. In the clinical study, the fusion error was reduced from 12.90±9.58mm to 6.12±2.90mm by using the motion model alone. Moreover, the fusion error decreased to 1.96±0.33mm by using the registration method. The proposed method can effectively correct the respiration-induced fusion error to improve the fusion image quality. This method can also reduce the error correction dependency on the initial registration of ultrasound and MR images. Overall, the proposed method can improve the clinical practicability of ultrasound fusion imaging. Copyright © 2016 Elsevier Ltd. All rights reserved.

Non-rigid point set registration of curves: registration of the superficial vessel centerlines of the brain

NASA Astrophysics Data System (ADS)

Marreiros, Filipe M. M.; Wang, Chunliang; Rossitti, Sandro; Smedby, Örjan

2016-03-01

In this study we present a non-rigid point set registration for 3D curves (composed by 3D set of points). The method was evaluated in the task of registration of 3D superficial vessels of the brain where it was used to match vessel centerline points. It consists of a combination of the Coherent Point Drift (CPD) and the Thin-Plate Spline (TPS) semilandmarks. The CPD is used to perform the initial matching of centerline 3D points, while the semilandmark method iteratively relaxes/slides the points. For the evaluation, a Magnetic Resonance Angiography (MRA) dataset was used. Deformations were applied to the extracted vessels centerlines to simulate brain bulging and sinking, using a TPS deformation where a few control points were manipulated to obtain the desired transformation (T1). Once the correspondences are known, the corresponding points are used to define a new TPS deformation(T2). The errors are measured in the deformed space, by transforming the original points using T1 and T2 and measuring the distance between them. To simulate cases where the deformed vessel data is incomplete, parts of the reference vessels were cut and then deformed. Furthermore, anisotropic normally distributed noise was added. The results show that the error estimates (root mean square error and mean error) are below 1 mm, even in the presence of noise and incomplete data.

Error detection capability of a novel transmission detector: a validation study for online VMAT monitoring.

PubMed

Pasler, Marlies; Michel, Kilian; Marrazzo, Livia; Obenland, Michael; Pallotta, Stefania; Björnsgard, Mari; Lutterbach, Johannes

2017-09-01

The purpose of this study was to characterize a new single large-area ionization chamber, the integral quality monitor system (iRT, Germany), for online and real-time beam monitoring. Signal stability, monitor unit (MU) linearity and dose rate dependence were investigated for static and arc deliveries and compared to independent ionization chamber measurements. The dose verification capability of the transmission detector system was evaluated by comparing calculated and measured detector signals for 15 volumetric modulated arc therapy plans. The error detection sensitivity was tested by introducing MLC position and linac output errors. Deviations in dose distributions between the original and error-induced plans were compared in terms of detector signal deviation, dose-volume histogram (DVH) metrics and 2D γ-evaluation (2%/2 mm and 3%/3 mm). The detector signal is linearly dependent on linac output and shows negligible (<0.4%) dose rate dependence up to 460 MU min -1 . Signal stability is within 1% for cumulative detector output; substantial variations were observed for the segment-by-segment signal. Calculated versus measured cumulative signal deviations ranged from  -0.16%-2.25%. DVH, mean 2D γ-value and detector signal evaluations showed increasing deviations with regard to the respective reference with growing MLC and dose output errors; good correlation between DVH metrics and detector signal deviation was found (e.g. PTV D mean : R 2   =  0.97). Positional MLC errors of 1 mm and errors in linac output of 2% were identified with the transmission detector system. The extensive tests performed in this investigation show that the new transmission detector provides a stable and sensitive cumulative signal output and is suitable for beam monitoring during patient treatment.

Error detection capability of a novel transmission detector: a validation study for online VMAT monitoring

NASA Astrophysics Data System (ADS)

Pasler, Marlies; Michel, Kilian; Marrazzo, Livia; Obenland, Michael; Pallotta, Stefania; Björnsgard, Mari; Lutterbach, Johannes

2017-09-01

The purpose of this study was to characterize a new single large-area ionization chamber, the integral quality monitor system (iRT, Germany), for online and real-time beam monitoring. Signal stability, monitor unit (MU) linearity and dose rate dependence were investigated for static and arc deliveries and compared to independent ionization chamber measurements. The dose verification capability of the transmission detector system was evaluated by comparing calculated and measured detector signals for 15 volumetric modulated arc therapy plans. The error detection sensitivity was tested by introducing MLC position and linac output errors. Deviations in dose distributions between the original and error-induced plans were compared in terms of detector signal deviation, dose-volume histogram (DVH) metrics and 2D γ-evaluation (2%/2 mm and 3%/3 mm). The detector signal is linearly dependent on linac output and shows negligible (<0.4%) dose rate dependence up to 460 MU min-1. Signal stability is within 1% for cumulative detector output; substantial variations were observed for the segment-by-segment signal. Calculated versus measured cumulative signal deviations ranged from  -0.16%-2.25%. DVH, mean 2D γ-value and detector signal evaluations showed increasing deviations with regard to the respective reference with growing MLC and dose output errors; good correlation between DVH metrics and detector signal deviation was found (e.g. PTV D mean: R 2  =  0.97). Positional MLC errors of 1 mm and errors in linac output of 2% were identified with the transmission detector system. The extensive tests performed in this investigation show that the new transmission detector provides a stable and sensitive cumulative signal output and is suitable for beam monitoring during patient treatment.

Mechanism of error-free DNA synthesis across N1-methyl-deoxyadenosine by human DNA polymerase-ι

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

Jain, Rinku; Choudhury, Jayati Roy; Buku, Angeliki

N1-methyl-deoxyadenosine (1-MeA) is formed by methylation of deoxyadenosine at the N1 atom. 1-MeA presents a block to replicative DNA polymerases due to its inability to participate in Watson-Crick (W-C) base pairing. Here we determine how human DNA polymerase-ι (Polι) promotes error-free replication across 1-MeA. Steady state kinetic analyses indicate that Polι is ~100 fold more efficient in incorporating the correct nucleotide T versus the incorrect nucleotide C opposite 1-MeA. To understand the basis of this selectivity, we determined ternary structures of Polι bound to template 1-MeA and incoming dTTP or dCTP. In both structures, template 1-MeA rotates to the synmore » conformation but pairs differently with dTTP versus dCTP. Thus, whereas dTTP partakes in stable Hoogsteen base pairing with 1-MeA, dCTP fails to gain a “foothold” and is largely disordered. Together, our kinetic and structural studies show how Polι maintains discrimination between correct and incorrect incoming nucleotide opposite 1-MeA in preserving genome integrity.« less

Refractive Error and Visual Functions in Children with Special Needs Compared with the First Grade School Students in Oman

PubMed Central

Vora, Urmi; Khandekar, Rajiv; Natrajan, Sarvanan; Al-Hadrami, Khalfan

2010-01-01

Background: We evaluated the refractive status and visual function of children with special needs (other handicap) in 2010 and compared them with healthy 1st grade school students in Oman. Materials and Methods: This was a cohort study. Optometrists recorded vision using a logarithm of minimum angle of resolution (LogMAR) chart. Preferential looking method was used for testing 31 children. Cycloplegic refraction was performed on all children. Contrast sensitivity was tested using 2.5%, 10%, and 100% contrast charts. Ocular movement, alignment, and anterior segment were also assessed. A pediatrician reviewed the health records of all the children at the time of their enrollment in this study to determine if the child had been diagnosed with a systemic condition or syndromes. The visual functions were assessed by study investigators. We estimated the rates and the risk of different visual function defects in children with special needs. Result: The prevalence of refractive error in 70 children (4.7 ± 0.8 years) with special needs (group 1) and 175 normal healthy first grade students (group 2) were 58.5% and 2.9%, respectively. The risk of refractive error was significantly higher in children with special needs [relative risk, 48.1 (95% confidence interval, 17.54–131.8)]. Hyperopia (>1.00 D), myopia (≥ 1.00D) and astigmatism (≥ ±1.00 D) were found in 18.6%, 24.3%, and 27.1%, respectively, in group 1. Six children in this group had defective near vision. Sixteen (80%) children with Down syndrome had refractive error. Seven (50%) children with developmental disorder showed decreased contrast sensitivity. Conclusion: Prevalence of uncorrected refractive error was much higher in children with special needs. Prevalence of strabismus, nystagmus, and reduced contrast sensitivity was also higher in children with special needs. Early vision screening, visual function assessment, correction of refractive error, and frequent follow-up are recommended. PMID:21180428

Pattern of refractive errors among the Nepalese population: a retrospective study.

PubMed

Shrestha, S P; Bhat, K S; Binu, V S; Barthakur, R; Natarajan, M; Subba, S H

2010-01-01

Refractive errors are a major cause of visual impairment in the population. To find the pattern of refractive errors among patients evaluated in a tertiary care hospital in the western region of Nepal. The present hospital-based retrospective study was conducted in the Department of Ophthalmology of the Manipal Teaching Hospital, situated in Pokhara, Nepal. Patients who had refractive error of at least 0.5 D (dioptre) were included for the study. During the study period, 15,410 patients attended the outpatient department and 10.8% of the patients were identified as having refractive error. The age of the patients in the present study ranged between 5 - 90 years. Myopia was the commonest refractive error followed by hypermetropia. There was no difference in the frequency of the type of refractive errors when they were defined using right the eye, the left eye or both the eyes. Males predominated among myopics and females predominated among hypermetropics. The majority of spherical errors was less than or equal to 2 D. Astigmatic power above 1D was rarely seen with hypermetropic astigmatism and was seen in around 13 % with myopic astigmatism. "Astigmatism against the rule" was more common than "astigmatism with the rule", irrespective of age. Refractive errors progressively shift along myopia up to the third decade and change to hypermetropia till the seventh decade. Hyperopic shift in the refractive error in young adults should be well noted while planning any refractive surgery in younger patients with myopia. © Nepal Ophthalmic Society.

Goal-based h-adaptivity of the 1-D diamond difference discrete ordinate method

NASA Astrophysics Data System (ADS)

Jeffers, R. S.; Kópházi, J.; Eaton, M. D.; Févotte, F.; Hülsemann, F.; Ragusa, J.

2017-04-01

The quantity of interest (QoI) associated with a solution of a partial differential equation (PDE) is not, in general, the solution itself, but a functional of the solution. Dual weighted residual (DWR) error estimators are one way of providing an estimate of the error in the QoI resulting from the discretisation of the PDE. This paper aims to provide an estimate of the error in the QoI due to the spatial discretisation, where the discretisation scheme being used is the diamond difference (DD) method in space and discrete ordinate (SN) method in angle. The QoI are reaction rates in detectors and the value of the eigenvalue (Keff) for 1-D fixed source and eigenvalue (Keff criticality) neutron transport problems respectively. Local values of the DWR over individual cells are used as error indicators for goal-based mesh refinement, which aims to give an optimal mesh for a given QoI.

WinTRAX: A raytracing software package for the design of multipole focusing systems

NASA Astrophysics Data System (ADS)

Grime, G. W.

2013-07-01

The software package TRAX was a simulation tool for modelling the path of charged particles through linear cylindrical multipole fields described by analytical expressions and was a development of the earlier OXRAY program (Grime and Watt, 1983; Grime et al., 1982) [1,2]. In a 2005 comparison of raytracing software packages (Incerti et al., 2005) [3], TRAX/OXRAY was compared with Geant4 and Zgoubi and was found to give close agreement with the more modern codes. TRAX was a text-based program which was only available for operation in a now rare VMS workstation environment, so a new program, WinTRAX, has been developed for the Windows operating system. This implements the same basic computing strategy as TRAX, and key sections of the code are direct translations from FORTRAN to C++, but the Windows environment is exploited to make an intuitive graphical user interface which simplifies and enhances many operations including system definition and storage, optimisation, beam simulation (including with misaligned elements) and aberration coefficient determination. This paper describes the program and presents comparisons with other software and real installations.

Collisionless spectral-kinetic Simulation of the Multipole Resonance Probe

NASA Astrophysics Data System (ADS)

Dobrygin, Wladislaw; Szeremley, Daniel; Schilling, Christian; Oberrath, Jens; Eremin, Denis; Mussenbrock, Thomas; Brinkmann, Ralf Peter

2012-10-01

Plasma resonance spectroscopy is a well established plasma diagnostic method realized in several designs. One of these designs is the multipole resonance probe (MRP). In its idealized - geometrically simplified - version it consists of two dielectrically shielded, hemispherical electrodes to which an RF signal is applied. A numerical tool is under development, which is capable of simulating the dynamics of the plasma surrounding the MRP in electrostatic approximation. In the simulation the potential is separeted in an inner and a vacuum potential. The inner potential is influenced by the charged partilces and is calculated by a specialized Poisson solver. The vacuum potential fulfills Laplace's equetion and consists of the applied voltage of the probe as boundary condition. Both potentials are expanded in spherical harmonics. For a practical particle pusher implementation, the expansion must be appropriately truncated. Compared to a PIC simulation a grid is unnecessary to calculate the force on the particles. This work purpose is a collisionless kinetic simulation, which can be used to investigate kinetic effects on the resonance behavior of the MRP.[4pt] [1] M. Lapke et al., Appl. Phys. Lett. 93, 2008, 051502.

On Geomagnetism and Paleomagnetism I

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

2000-01-01

A partial description of Earth's broad scale, core-source magnetic field has been developed and tested three ways. The description features an expected, or mean, spatial magnetic power spectrum that is approximately inversely proportional to horizontal wavenumber atop Earth's core. This multipole spectrum describes a magnetic energy range; it is not steep enough for Gubbins' magnetic dissipation range. Temporal variations of core multipole powers about mean values are to be expected and are described statistically, via trial probability distribution functions, instead of deterministically, via trial solution of closed transport equations. The distributions considered here are closed and neither require nor prohibit magnetic isotropy. The description is therefore applicable to, and tested against, both dipole and low degree non-dipole fields. In Part 1, a physical basis for an expectation spectrum is developed and checked. The description is then combined with main field models of twentieth century satellite and surface geomagnetic field measurements to make testable predictions of the radius of Earth's core. The predicted core radius is 0.7% above the 3480 km seismological value. Partial descriptions of other planetary dipole fields are noted.

New Syndrome Decoding Techniques for the (n, K) Convolutional Codes

NASA Technical Reports Server (NTRS)

Reed, I. S.; Truong, T. K.

1983-01-01

This paper presents a new syndrome decoding algorithm for the (n,k) convolutional codes (CC) which differs completely from an earlier syndrome decoding algorithm of Schalkwijk and Vinck. The new algorithm is based on the general solution of the syndrome equation, a linear Diophantine equation for the error polynomial vector E(D). The set of Diophantine solutions is a coset of the CC. In this error coset a recursive, Viterbi-like algorithm is developed to find the minimum weight error vector (circumflex)E(D). An example, illustrating the new decoding algorithm, is given for the binary nonsystemmatic (3,1)CC.

Refractive errors and strabismus in Asian patients with Down syndrome.

PubMed

Kim, U; Hwang, J-M

2009-07-01

The purpose of this study was to investigate the prevalence and patterns of refractive errors and strabismus in Asian patients with Down syndrome, as they relate to age.MethodsA total of 261 Korean patients with Down syndrome were examined between March 1999 and May 2007. Eighty-nine patients were excluded from the study. The remaining 172 patients were divided into four age groups (<3 years, 3-<6 years, 6-<9 years, and >or=9 years). Full ophthalmologic examinations and strabismus assessments were performed. Refractive errors were defined as follows: myopia >or=-1.00 D, hyperopia >or=+1.00 D, astigmatism >or=+/-1.00 D, and anisometropia as a refractive difference between the two eyes >or=1.00 D. Hyperopia (46.5%) was slightly more common than myopia (40.1%). The prevalence of myopia increased with age, whereas that of hyperopia decreased. Astigmatism was found in 66.8% of patients, and astigmatism >or=2 D was found in 16.8% of patients. Anisometropia was identified in 29.7% of patients, and the incidence of anisometropia correlated significantly with age as well as with astigmatism. Esotropia (22.1%) was twice as common as exotropia (10.5%). The prevalence of esotropia increased with age, but that of exotropia decreased. Fifty patients were found to have nystagmus (29.1%). In Asian patients with Down syndrome, esotropia was more common than exotropia and hyperopia was more common than myopia. The prevalence of exotropia and astigmatism was much higher in this study than has been previously reported.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

NASA Astrophysics Data System (ADS)

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2006-11-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n =64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

PubMed Central

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2007-01-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15 kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n=64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs. PMID:17115732

A Gridded Daily Min/Max Temperature Dataset With 0.1° Resolution for the Yangtze River Valley and its Error Estimation

NASA Astrophysics Data System (ADS)

Xiong, Qiufen; Hu, Jianglin

2013-05-01

The minimum/maximum (Min/Max) temperature in the Yangtze River valley is decomposed into the climatic mean and anomaly component. A spatial interpolation is developed which combines the 3D thin-plate spline scheme for climatological mean and the 2D Barnes scheme for the anomaly component to create a daily Min/Max temperature dataset. The climatic mean field is obtained by the 3D thin-plate spline scheme because the relationship between the decreases in Min/Max temperature with elevation is robust and reliable on a long time-scale. The characteristics of the anomaly field tend to be related to elevation variation weakly, and the anomaly component is adequately analyzed by the 2D Barnes procedure, which is computationally efficient and readily tunable. With this hybridized interpolation method, a daily Min/Max temperature dataset that covers the domain from 99°E to 123°E and from 24°N to 36°N with 0.1° longitudinal and latitudinal resolution is obtained by utilizing daily Min/Max temperature data from three kinds of station observations, which are national reference climatological stations, the basic meteorological observing stations and the ordinary meteorological observing stations in 15 provinces and municipalities in the Yangtze River valley from 1971 to 2005. The error estimation of the gridded dataset is assessed by examining cross-validation statistics. The results show that the statistics of daily Min/Max temperature interpolation not only have high correlation coefficient (0.99) and interpolation efficiency (0.98), but also the mean bias error is 0.00 °C. For the maximum temperature, the root mean square error is 1.1 °C and the mean absolute error is 0.85 °C. For the minimum temperature, the root mean square error is 0.89 °C and the mean absolute error is 0.67 °C. Thus, the new dataset provides the distribution of Min/Max temperature over the Yangtze River valley with realistic, successive gridded data with 0.1° × 0.1° spatial resolution and daily temporal scale. The primary factors influencing the dataset precision are elevation and terrain complexity. In general, the gridded dataset has a relatively high precision in plains and flatlands and a relatively low precision in mountainous areas.

SU-E-CAMPUS-J-05: Quantitative Investigation of Random and Systematic Uncertainties From Hardware and Software Components in the Frameless 6DBrainLAB ExacTrac System

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

Keeling, V; Jin, H; Hossain, S

2014-06-15

Purpose: To evaluate setup accuracy and quantify individual systematic and random errors for the various hardware and software components of the frameless 6D-BrainLAB ExacTrac system. Methods: 35 patients with cranial lesions, some with multiple isocenters (50 total lesions treated in 1, 3, 5 fractions), were investigated. All patients were simulated with a rigid head-and-neck mask and the BrainLAB localizer. CT images were transferred to the IPLAN treatment planning system where optimized plans were generated using stereotactic reference frame based on the localizer. The patients were setup initially with infrared (IR) positioning ExacTrac system. Stereoscopic X-ray images (XC: X-ray Correction) weremore » registered to their corresponding digitally-reconstructed-radiographs, based on bony anatomy matching, to calculate 6D-translational and rotational (Lateral, Longitudinal, Vertical, Pitch, Roll, Yaw) shifts. XC combines systematic errors of the mask, localizer, image registration, frame, and IR. If shifts were below tolerance (0.7 mm translational and 1 degree rotational), treatment was initiated; otherwise corrections were applied and additional X-rays were acquired to verify patient position (XV: X-ray Verification). Statistical analysis was used to extract systematic and random errors of the different components of the 6D-ExacTrac system and evaluate the cumulative setup accuracy. Results: Mask systematic errors (translational; rotational) were the largest and varied from one patient to another in the range (−15 to 4mm; −2.5 to 2.5degree) obtained from mean of XC for each patient. Setup uncertainty in IR positioning (0.97,2.47,1.62mm;0.65,0.84,0.96degree) was extracted from standard-deviation of XC. Combined systematic errors of the frame and localizer (0.32,−0.42,−1.21mm; −0.27,0.34,0.26degree) was extracted from mean of means of XC distributions. Final patient setup uncertainty was obtained from the standard deviations of XV (0.57,0.77,0.67mm,0.39,0.35,0.30degree). Conclusion: Statistical analysis was used to calculate cumulative and individual systematic errors from the different hardware and software components of the 6D-ExacTrac-system. Patients were treated with cumulative errors (<1mm,<1degree) with XV image guidance.« less

Effects of Head-Mounted Display on the Oculomotor System and Refractive Error in Normal Adolescents.

PubMed

Ha, Suk-Gyu; Na, Kun-Hoo; Kweon, Il-Joo; Suh, Young-Woo; Kim, Seung-Hyun

2016-07-01

To investigate the clinical effects of head-mounted display on the refractive error and oculomotor system in normal adolescents. Sixty volunteers (age: 13 to 18 years) watched a three-dimensional movie and virtual reality application of head-mounted display for 30 minutes. The refractive error (diopters [D]), angle of deviation (prism diopters [PD]) at distance (6 m) and near (33 cm), near point of accommodation, and stereoacuity were measured before, immediately after, and 10 minutes after watching the head-mounted display. The refractive error was presented as spherical equivalent (SE). Refractive error was measured repeatedly after every 10 minutes when a myopic shift greater than 0.15 D was observed after watching the head-mounted display. The mean age of the participants was 14.7 ± 1.3 years and the mean SE before watching head-mounted display was -3.1 ± 2.6 D. One participant in the virtual reality application group was excluded due to motion sickness and nausea. After 30 minutes of watching the head-mounted display, the SE, near point of accommodation, and stereoacuity in both eyes did not change significantly (all P > .05). Immediately after watching the head-mounted display, esophoric shift was observed (0.6 ± 1.5 to 0.2 ± 1.5 PD), although it was not significant (P = .06). Transient myopic shifts of 17.2% to 30% were observed immediately after watching the head-mounted display in both groups, but recovered fully within 40 minutes after watching the head-mounted display. There were no significant clinical effects of watching head-mounted display for 30 minutes on the normal adolescent eye. Transient changes in refractive error and binocular alignment were noted, but were not significant. [J Pediatr Ophthalmol Strabismus. 2016;53(4):238-245.]. Copyright 2016, SLACK Incorporated.

Data Assimilation of AirSWOT and Synthetically Derived SWOT Observations of Water Surface Elevation in a Multichannel River

NASA Astrophysics Data System (ADS)

Altenau, E. H.; Pavelsky, T.; Andreadis, K.; Bates, P. D.; Neal, J. C.

2017-12-01

Multichannel rivers continue to be challenging features to quantify, especially at regional and global scales, which is problematic because accurate representations of such environments are needed to properly monitor the earth's water cycle as it adjusts to climate change. It has been demonstrated that higher-complexity, 2D models outperform lower-complexity, 1D models in simulating multichannel river hydraulics at regional scales due to the inclusion of the channel network's connectivity. However, new remote sensing measurements from the future Surface Water and Ocean Topography (SWOT) mission and it's airborne analog AirSWOT offer new observations that can be used to try and improve the lower-complexity, 1D models to achieve accuracies closer to the higher-complexity, 2D codes. Here, we use an Ensemble Kalman Filter (EnKF) to assimilate AirSWOT water surface elevation (WSE) measurements from a 2015 field campaign into a 1D hydrodynamic model along a 90 km reach of Tanana River, AK. This work is the first to test data assimilation methods using real SWOT-like data from AirSWOT. Additionally, synthetic SWOT observations of WSE are generated across the same study site using a fine-resolution 2D model and assimilated into the coarser-resolution 1D model. Lastly, we compare the abilities of AirSWOT and the synthetic-SWOT observations to improve spatial and temporal model outputs in WSEs. Results indicate 1D model outputs of spatially distributed WSEs improve as observational coverage increases, and improvements in temporal fluctuations in WSEs depend on the number of observations. Furthermore, results reveal that assimilation of AirSWOT observations produce greater error reductions in 1D model outputs compared to synthetic SWOT observations due to lower measurement errors. Both AirSWOT and the synthetic SWOT observations significantly lower spatial and temporal errors in 1D model outputs of WSEs.

Experimental assessment of a 3-D plenoptic endoscopic imaging system.

PubMed

Le, Hanh N D; Decker, Ryan; Krieger, Axel; Kang, Jin U

2017-01-01

An endoscopic imaging system using a plenoptic technique to reconstruct 3-D information is demonstrated and analyzed in this Letter. The proposed setup integrates a clinical surgical endoscope with a plenoptic camera to achieve a depth accuracy error of about 1 mm and a precision error of about 2 mm, within a 25 mm × 25 mm field of view, operating at 11 frames per second.

Experimental assessment of a 3-D plenoptic endoscopic imaging system

PubMed Central

Le, Hanh N. D.; Decker, Ryan; Krieger, Axel; Kang, Jin U.

2017-01-01

An endoscopic imaging system using a plenoptic technique to reconstruct 3-D information is demonstrated and analyzed in this Letter. The proposed setup integrates a clinical surgical endoscope with a plenoptic camera to achieve a depth accuracy error of about 1 mm and a precision error of about 2 mm, within a 25 mm × 25 mm field of view, operating at 11 frames per second. PMID:29449863

3D fluoroscopic image estimation using patient-specific 4DCBCT-based motion models

PubMed Central

Dhou, Salam; Hurwitz, Martina; Mishra, Pankaj; Cai, Weixing; Rottmann, Joerg; Li, Ruijiang; Williams, Christopher; Wagar, Matthew; Berbeco, Ross; Ionascu, Dan; Lewis, John H.

2015-01-01

3D fluoroscopic images represent volumetric patient anatomy during treatment with high spatial and temporal resolution. 3D fluoroscopic images estimated using motion models built using 4DCT images, taken days or weeks prior to treatment, do not reliably represent patient anatomy during treatment. In this study we develop and perform initial evaluation of techniques to develop patient-specific motion models from 4D cone-beam CT (4DCBCT) images, taken immediately before treatment, and use these models to estimate 3D fluoroscopic images based on 2D kV projections captured during treatment. We evaluate the accuracy of 3D fluoroscopic images by comparing to ground truth digital and physical phantom images. The performance of 4DCBCT- and 4DCT- based motion models are compared in simulated clinical situations representing tumor baseline shift or initial patient positioning errors. The results of this study demonstrate the ability for 4DCBCT imaging to generate motion models that can account for changes that cannot be accounted for with 4DCT-based motion models. When simulating tumor baseline shift and patient positioning errors of up to 5 mm, the average tumor localization error and the 95th percentile error in six datasets were 1.20 and 2.2 mm, respectively, for 4DCBCT-based motion models. 4DCT-based motion models applied to the same six datasets resulted in average tumor localization error and the 95th percentile error of 4.18 and 5.4 mm, respectively. Analysis of voxel-wise intensity differences was also conducted for all experiments. In summary, this study demonstrates the feasibility of 4DCBCT-based 3D fluoroscopic image generation in digital and physical phantoms, and shows the potential advantage of 4DCBCT-based 3D fluoroscopic image estimation when there are changes in anatomy between the time of 4DCT imaging and the time of treatment delivery. PMID:25905722

Studies of intrastromal corneal ring segments for the correction of low to moderate myopic refractive errors.

PubMed Central

Schanzlin, D J

1999-01-01

PURPOSE: Intrastromal corneal ring segments (ICRS) were investigated for safety and reliability in the correction of low to moderate myopic refractive errors. METHODS: Initially, 74 patients with spherical equivalent refractive errors between -1.00 and -4.25 diopters (D) received the ICRS in 1 eye. After 6 months, 51 of these patients received the ICRS in the contralateral eye. The total number of eyes investigated was 125. The outcome measures were uncorrected and best-corrected visual acuity, predictability and stability of the refraction, refractive astigmatism, contrast sensitivity, and endothelial cell morphology. RESULTS: The 89 eyes with 12-month follow-up showed significant improvement with uncorrected visual acuities of 20/16 or better in 37%, 20/20 or better in 62%, and 20/40 or better in 97%. Cycloplegic refraction spherical equivalents showed that 68% of the eyes were within +/- 0.50 D and 90% within +/- 1.00 D of the intended correction. Refractive stability was present by 3 months after the surgery. Only 1 patients had a loss greater than 2 lines or 10 letters of best spectacle-corrected visual acuity, but the patient's acuity was 20/20. Refractive cylinder, contrast sensitivity, and endothelial cell morphology were not adversely affected. The ICRS was removed from the eyes of 6 patients. Three removals were prompted by glare and double images occurring at night; 3 were for nonmedical reasons. All patients returned to within +/- 1.00 D of their preoperative refractive spherical equivalent, and no patients lost more than 1 line of best corrected visual acuity by 3 months after ICRS removal. CONCLUSION: The ICRS safely and reliably corrects myopic refractive errors between -1.00 and -4.50 D. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 6 FIGURE 7 FIGURE 8 FIGURE 9 FIGURE 10 FIGURE 11 FIGURE 12 PMID:10703146

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

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