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.

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.

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.

Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

2015-03-01

Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

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

Analysis and Implementation of Particle-to-Particle (P2P) Graphics Processor Unit (GPU) Kernel for Black-Box Adaptive Fast Multipole Method

DTIC Science & Technology

2015-06-01

5110P and 16 dx360M4 nodes each with one NVIDIA Kepler K20M/K40M GPU. Each node contained dual Intel Xeon E5-2670 (Sandy Bridge) central processing...kernel and as such does not employ multiple processors. This work makes use of a single processing core and a single NVIDIA Kepler K40 GK110...bandwidth (2 × 16 slot), 7.877 GFloat/s; Kepler K40 peak, 4,290 × 1 billion floating-point operations (GFLOPs), and 288 GB/s Kepler K40 memory

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.

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

PubMed Central

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

2011-01-01

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

Fast multipole methods on a cluster of GPUs for the meshless simulation of turbulence

NASA Astrophysics Data System (ADS)

Yokota, R.; Narumi, T.; Sakamaki, R.; Kameoka, S.; Obi, S.; Yasuoka, K.

2009-11-01

Recent advances in the parallelizability of fast N-body algorithms, and the programmability of graphics processing units (GPUs) have opened a new path for particle based simulations. For the simulation of turbulence, vortex methods can now be considered as an interesting alternative to finite difference and spectral methods. The present study focuses on the efficient implementation of the fast multipole method and pseudo-particle method on a cluster of NVIDIA GeForce 8800 GT GPUs, and applies this to a vortex method calculation of homogeneous isotropic turbulence. The results of the present vortex method agree quantitatively with that of the reference calculation using a spectral method. We achieved a maximum speed of 7.48 TFlops using 64 GPUs, and the cost performance was near 9.4/GFlops. The calculation of the present vortex method on 64 GPUs took 4120 s, while the spectral method on 32 CPUs took 4910 s.

Fast algorithms for Quadrature by Expansion I: Globally valid expansions

NASA Astrophysics Data System (ADS)

Rachh, Manas; Klöckner, Andreas; O'Neil, Michael

2017-09-01

The use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast algorithms for solving the resulting dense linear systems. Classically, these tools were developed separately. In this work, we present a unified numerical scheme based on coupling Quadrature by Expansion, a recent quadrature method, to a customized Fast Multipole Method (FMM) for the Helmholtz equation in two dimensions. The method allows the evaluation of layer potentials in linear-time complexity, anywhere in space, with a uniform, user-chosen level of accuracy as a black-box computational method. Providing this capability requires geometric and algorithmic considerations beyond the needs of standard FMMs as well as careful consideration of the accuracy of multipole translations. We illustrate the speed and accuracy of our method with various numerical examples.

Earthquake models using rate and state friction and fast multipoles

NASA Astrophysics Data System (ADS)

Tullis, T.

2003-04-01

The most realistic current earthquake models employ laboratory-derived non-linear constitutive laws. These are the rate and state friction laws having both a non-linear viscous or direct effect and an evolution effect in which frictional resistance depends on time of stationary contact and has a memory of past slip velocity that fades with slip. The frictional resistance depends on the log of the slip velocity as well as the log of stationary hold time, and the fading memory involves an approximately exponential decay with slip. Due to the nonlinearly of these laws, analytical earthquake models are not attainable and numerical models are needed. The situation is even more difficult if true dynamic models are sought that deal with inertial forces and slip velocities on the order of 1 m/s as are observed during dynamic earthquake slip. Additional difficulties that exist if the dynamic slip phase of earthquakes is modeled arise from two sources. First, many physical processes might operate during dynamic slip, but they are only poorly understood, the relative importance of the processes is unknown, and the processes are even more nonlinear than those described by the current rate and state laws. Constitutive laws describing such behaviors are still being developed. Second, treatment of inertial forces and the influence that dynamic stresses from elastic waves may have on slip on the fault requires keeping track of the history of slip on remote parts of the fault as far into the past as it takes waves to travel from there. This places even more stringent requirements on computer time. Challenges for numerical modeling of complete earthquake cycles are that both time steps and mesh sizes must be small. Time steps must be milliseconds during dynamic slip, and yet models must represent earthquake cycles 100 years or more in length; methods using adaptive step sizes are essential. Element dimensions need to be on the order of meters, both to approximate continuum behavior adequately and to model microseismicity as well as large earthquakes. In order to model significant sized earthquakes this requires millions of elements. Modeling methods like the boundary element method that involve Green's functions normally require computation times that increase with the number N of elements squared, so using large N becomes impossible. We have adapted the Fast Multipole method to this problem in which the influence of sufficiently remote elements are grouped together and the elements are indexed such that the computations more efficient when run on parallel computers. Compute time varies with N log N rather than N squared. Computer programs are available that use this approach (http://www.servogrid.org/slide/GEM/PARK). Whether the multipole approach can be adapted to dynamic modeling is unclear.

Multipole moments in the effective fragment potential method

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

Bertoni, Colleen; Slipchenko, Lyudmila V.; Misquitta, Alston J.

In the effective fragment potential (EFP) method the Coulomb potential is represented using a set of multipole moments generated by the distributed multipole analysis (DMA) method. Misquitta, Stone, and Fazeli recently developed a basis space-iterated stockholder atom (BS-ISA) method to generate multipole moments. This study assesses the accuracy of the EFP interaction energies using sets of multipole moments generated from the BS-ISA method, and from several versions of the DMA method (such as analytic and numeric grid-based), with varying basis sets. Both methods lead to reasonable results, although using certain implementations of the DMA method can result in large errors.more » With respect to the CCSD(T)/CBS interaction energies, the mean unsigned error (MUE) of the EFP method for the S22 data set using BS-ISA–generated multipole moments and DMA-generated multipole moments (using a small basis set and the analytic DMA procedure) is 0.78 and 0.72 kcal/mol, respectively. Here, the MUE accuracy is on the same order as MP2 and SCS-MP2. The MUEs are lower than in a previous study benchmarking the EFP method without the EFP charge transfer term, demonstrating that the charge transfer term increases the accuracy of the EFP method. Regardless of the multipole moment method used, it is likely that much of the error is due to an insufficient short-range electrostatic term (i.e., charge penetration term), as shown by comparisons with symmetry-adapted perturbation theory.« less

Multipole moments in the effective fragment potential method

DOE PAGES

Bertoni, Colleen; Slipchenko, Lyudmila V.; Misquitta, Alston J.; ...

2017-02-17

In the effective fragment potential (EFP) method the Coulomb potential is represented using a set of multipole moments generated by the distributed multipole analysis (DMA) method. Misquitta, Stone, and Fazeli recently developed a basis space-iterated stockholder atom (BS-ISA) method to generate multipole moments. This study assesses the accuracy of the EFP interaction energies using sets of multipole moments generated from the BS-ISA method, and from several versions of the DMA method (such as analytic and numeric grid-based), with varying basis sets. Both methods lead to reasonable results, although using certain implementations of the DMA method can result in large errors.more » With respect to the CCSD(T)/CBS interaction energies, the mean unsigned error (MUE) of the EFP method for the S22 data set using BS-ISA–generated multipole moments and DMA-generated multipole moments (using a small basis set and the analytic DMA procedure) is 0.78 and 0.72 kcal/mol, respectively. Here, the MUE accuracy is on the same order as MP2 and SCS-MP2. The MUEs are lower than in a previous study benchmarking the EFP method without the EFP charge transfer term, demonstrating that the charge transfer term increases the accuracy of the EFP method. Regardless of the multipole moment method used, it is likely that much of the error is due to an insufficient short-range electrostatic term (i.e., charge penetration term), as shown by comparisons with symmetry-adapted perturbation theory.« less

Application of Fast Multipole Methods to the NASA Fast Scattering Code

NASA Technical Reports Server (NTRS)

Dunn, Mark H.; Tinetti, Ana F.

2008-01-01

The NASA Fast Scattering Code (FSC) is a versatile noise prediction program designed to conduct aeroacoustic noise reduction studies. The equivalent source method is used to solve an exterior Helmholtz boundary value problem with an impedance type boundary condition. The solution process in FSC v2.0 requires direct manipulation of a large, dense system of linear equations, limiting the applicability of the code to small scales and/or moderate excitation frequencies. Recent advances in the use of Fast Multipole Methods (FMM) for solving scattering problems, coupled with sparse linear algebra techniques, suggest that a substantial reduction in computer resource utilization over conventional solution approaches can be obtained. Implementation of the single level FMM (SLFMM) and a variant of the Conjugate Gradient Method (CGM) into the FSC is discussed in this paper. The culmination of this effort, FSC v3.0, was used to generate solutions for three configurations of interest. Benchmarking against previously obtained simulations indicate that a twenty-fold reduction in computational memory and up to a four-fold reduction in computer time have been achieved on a single processor.

The Fast Multipole Method and Fourier Convolution for the Solution of Acoustic Scattering on Regular Volumetric Grids

PubMed Central

Hesford, Andrew J.; Waag, Robert C.

2010-01-01

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased. PMID:20835366

The fast multipole method and Fourier convolution for the solution of acoustic scattering on regular volumetric grids

NASA Astrophysics Data System (ADS)

Hesford, Andrew J.; Waag, Robert C.

2010-10-01

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased.

The Fast Multipole Method and Fourier Convolution for the Solution of Acoustic Scattering on Regular Volumetric Grids.

PubMed

Hesford, Andrew J; Waag, Robert C

2010-10-20

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased.

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.

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

Combined fast multipole-QR compression technique for solving electrically small to large structures for broadband applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram (Inventor); Chowdhury, Indranil (Inventor)

2011-01-01

An approach that efficiently solves for a desired parameter of a system or device that can include both electrically large fast multipole method (FMM) elements, and electrically small QR elements. The system or device is setup as an oct-tree structure that can include regions of both the FMM type and the QR type. An iterative solver is then used to determine a first matrix vector product for any electrically large elements, and a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large elements and the electrically small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter.

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.

A fast algorithm for multiscale electromagnetic problems using interpolative decomposition and multilevel fast multipole algorithm

NASA Astrophysics Data System (ADS)

Pan, Xiao-Min; Wei, Jian-Gong; Peng, Zhen; Sheng, Xin-Qing

2012-02-01

The interpolative decomposition (ID) is combined with the multilevel fast multipole algorithm (MLFMA), denoted by ID-MLFMA, to handle multiscale problems. The ID-MLFMA first generates ID levels by recursively dividing the boxes at the finest MLFMA level into smaller boxes. It is specifically shown that near-field interactions with respect to the MLFMA, in the form of the matrix vector multiplication (MVM), are efficiently approximated at the ID levels. Meanwhile, computations on far-field interactions at the MLFMA levels remain unchanged. Only a small portion of matrix entries are required to approximate coupling among well-separated boxes at the ID levels, and these submatrices can be filled without computing the complete original coupling matrix. It follows that the matrix filling in the ID-MLFMA becomes much less expensive. The memory consumed is thus greatly reduced and the MVM is accelerated as well. Several factors that may influence the accuracy, efficiency and reliability of the proposed ID-MLFMA are investigated by numerical experiments. Complex targets are calculated to demonstrate the capability of the ID-MLFMA algorithm.

A Very Fast and Angular Momentum Conserving Tree Code

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

Marcello, Dominic C., E-mail: dmarce504@gmail.com

There are many methods used to compute the classical gravitational field in astrophysical simulation codes. With the exception of the typically impractical method of direct computation, none ensure conservation of angular momentum to machine precision. Under uniform time-stepping, the Cartesian fast multipole method of Dehnen (also known as the very fast tree code) conserves linear momentum to machine precision. We show that it is possible to modify this method in a way that conserves both angular and linear momenta.

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

Efficient Kriging via Fast Matrix-Vector Products

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess; Raykar, Vikas C.; Duraiswami, Ramani; Mount, David M.

2008-01-01

Interpolating scattered data points is a problem of wide ranging interest. Ordinary kriging is an optimal scattered data estimator, widely used in geosciences and remote sensing. A generalized version of this technique, called cokriging, can be used for image fusion of remotely sensed data. However, it is computationally very expensive for large data sets. We demonstrate the time efficiency and accuracy of approximating ordinary kriging through the use of fast matrixvector products combined with iterative methods. We used methods based on the fast Multipole methods and nearest neighbor searching techniques for implementations of the fast matrix-vector products.

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.

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.

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.

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

PubMed

Łazarski, Roman; Burow, Asbjörn Manfred; Grajciar, Lukáš; Sierka, Marek

2016-10-30

A full implementation of analytical energy gradients for molecular and periodic systems is reported in the TURBOMOLE program package within the framework of Kohn-Sham density functional theory using Gaussian-type orbitals as basis functions. Its key component is a combination of density fitting (DF) approximation and continuous fast multipole method (CFMM) that allows for an efficient calculation of the Coulomb energy gradient. For exchange-correlation part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097) is extended to energy gradients. Computational efficiency and asymptotic O(N) scaling behavior of the implementation is demonstrated for various molecular and periodic model systems, with the largest unit cell of hematite containing 640 atoms and 19,072 basis functions. The overall computational effort of energy gradient is comparable to that of the Kohn-Sham matrix formation. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Fast inverse scattering solutions using the distorted Born iterative method and the multilevel fast multipole algorithm

PubMed Central

Hesford, Andrew J.; Chew, Weng C.

2010-01-01

The distorted Born iterative method (DBIM) computes iterative solutions to nonlinear inverse scattering problems through successive linear approximations. By decomposing the scattered field into a superposition of scattering by an inhomogeneous background and by a material perturbation, large or high-contrast variations in medium properties can be imaged through iterations that are each subject to the distorted Born approximation. However, the need to repeatedly compute forward solutions still imposes a very heavy computational burden. To ameliorate this problem, the multilevel fast multipole algorithm (MLFMA) has been applied as a forward solver within the DBIM. The MLFMA computes forward solutions in linear time for volumetric scatterers. The typically regular distribution and shape of scattering elements in the inverse scattering problem allow the method to take advantage of data redundancy and reduce the computational demands of the normally expensive MLFMA setup. Additional benefits are gained by employing Kaczmarz-like iterations, where partial measurements are used to accelerate convergence. Numerical results demonstrate both the efficiency of the forward solver and the successful application of the inverse method to imaging problems with dimensions in the neighborhood of ten wavelengths. PMID:20707438

A structure adapted multipole method for electrostatic interactions in protein dynamics

NASA Astrophysics Data System (ADS)

Niedermeier, Christoph; Tavan, Paul

1994-07-01

We present an algorithm for rapid approximate evaluation of electrostatic interactions in molecular dynamics simulations of proteins. Traditional algorithms require computational work of the order O(N2) for a system of N particles. Truncation methods which try to avoid that effort entail untolerably large errors in forces, energies and other observables. Hierarchical multipole expansion algorithms, which can account for the electrostatics to numerical accuracy, scale with O(N log N) or even with O(N) if they become augmented by a sophisticated scheme for summing up forces. To further reduce the computational effort we propose an algorithm that also uses a hierarchical multipole scheme but considers only the first two multipole moments (i.e., charges and dipoles). Our strategy is based on the consideration that numerical accuracy may not be necessary to reproduce protein dynamics with sufficient correctness. As opposed to previous methods, our scheme for hierarchical decomposition is adjusted to structural and dynamical features of the particular protein considered rather than chosen rigidly as a cubic grid. As compared to truncation methods we manage to reduce errors in the computation of electrostatic forces by a factor of 10 with only marginal additional effort.

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Egwolf, Bernhard; Nonella, Marco; Tavan, Paul

2003-06-01

We present a combination of the structure adapted multipole method with a reaction field (RF) correction for the efficient evaluation of electrostatic interactions in molecular dynamics simulations under periodic boundary conditions. The algorithm switches from an explicit electrostatics evaluation to a continuum description at the maximal distance that is consistent with the minimum image convention, and, thus, avoids the use of a periodic electrostatic potential. A physically motivated switching function enables charge clusters interacting with a given charge to smoothly move into the solvent continuum by passing through the spherical dielectric boundary surrounding this charge. This transition is complete as soon as the cluster has reached the so-called truncation radius Rc. The algorithm is used to examine the dependence of thermodynamic properties and correlation functions on Rc in the three point transferable intermolecular potential water model. Our test simulations on pure liquid water used either the RF correction or a straight cutoff and values of Rc ranging from 14 Å to 40 Å. In the RF setting, the thermodynamic properties and the correlation functions show convergence for Rc increasing towards 40 Å. In the straight cutoff case no such convergence is found. Here, in particular, the dipole-dipole correlation functions become completely artificial. The RF description of the long-range electrostatics is verified by comparison with the results of a particle-mesh Ewald simulation at identical conditions.

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.

Reproducing the scaling laws for Slow and Fast ruptures

NASA Astrophysics Data System (ADS)

Romanet, Pierre; Bhat, Harsha; Madariaga, Raúl

2017-04-01

Modelling long term behaviour of large, natural fault systems, that are geometrically complex, is a challenging problem. This is why most of the research so far has concentrated on modelling the long term response of single planar fault system. To overcome this limitation, we appeal to a novel algorithm called the Fast Multipole Method which was developed in the context of modelling gravitational N-body problems. This method allows us to decrease the computational complexity of the calculation from O(N2) to O(N log N), N being the number of discretised elements on the fault. We then adapted this method to model the long term quasi-dynamic response of two faults, with step-over like geometry, that are governed by rate and state friction laws. We assume the faults have spatially uniform rate weakening friction. The results show that when stress interaction between faults is accounted, a complex spectrum of slip (including slow-slip events, dynamic ruptures and partial ruptures) emerges naturally. The simulated slow-slip and dynamic events follow the scaling law inferred by Ide et al. 2007 i. e. M ∝ T for slow-slip events and M ∝ T2 (in 2D) for dynamic events.

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

irGPU.proton.Net: Irregular strong charge interaction networks of protonatable groups in protein molecules--a GPU solver using the fast multipole method and statistical thermodynamics.

PubMed

Kantardjiev, Alexander A

2015-04-05

A cluster of strongly interacting ionization groups in protein molecules with irregular ionization behavior is suggestive for specific structure-function relationship. However, their computational treatment is unconventional (e.g., lack of convergence in naive self-consistent iterative algorithm). The stringent evaluation requires evaluation of Boltzmann averaged statistical mechanics sums and electrostatic energy estimation for each microstate. irGPU: Irregular strong interactions in proteins--a GPU solver is novel solution to a versatile problem in protein biophysics--atypical protonation behavior of coupled groups. The computational severity of the problem is alleviated by parallelization (via GPU kernels) which is applied for the electrostatic interaction evaluation (including explicit electrostatics via the fast multipole method) as well as statistical mechanics sums (partition function) estimation. Special attention is given to the ease of the service and encapsulation of theoretical details without sacrificing rigor of computational procedures. irGPU is not just a solution-in-principle but a promising practical application with potential to entice community into deeper understanding of principles governing biomolecule mechanisms. © 2015 Wiley Periodicals, Inc.

Development of hardware accelerator for molecular dynamics simulations: a computation board that calculates nonbonded interactions in cooperation with fast multipole method.

PubMed

Amisaki, Takashi; Toyoda, Shinjiro; Miyagawa, Hiroh; Kitamura, Kunihiro

2003-04-15

Evaluation of long-range Coulombic interactions still represents a bottleneck in the molecular dynamics (MD) simulations of biological macromolecules. Despite the advent of sophisticated fast algorithms, such as the fast multipole method (FMM), accurate simulations still demand a great amount of computation time due to the accuracy/speed trade-off inherently involved in these algorithms. Unless higher order multipole expansions, which are extremely expensive to evaluate, are employed, a large amount of the execution time is still spent in directly calculating particle-particle interactions within the nearby region of each particle. To reduce this execution time for pair interactions, we developed a computation unit (board), called MD-Engine II, that calculates nonbonded pairwise interactions using a specially designed hardware. Four custom arithmetic-processors and a processor for memory manipulation ("particle processor") are mounted on the computation board. The arithmetic processors are responsible for calculation of the pair interactions. The particle processor plays a central role in realizing efficient cooperation with the FMM. The results of a series of 50-ps MD simulations of a protein-water system (50,764 atoms) indicated that a more stringent setting of accuracy in FMM computation, compared with those previously reported, was required for accurate simulations over long time periods. Such a level of accuracy was efficiently achieved using the cooperative calculations of the FMM and MD-Engine II. On an Alpha 21264 PC, the FMM computation at a moderate but tolerable level of accuracy was accelerated by a factor of 16.0 using three boards. At a high level of accuracy, the cooperative calculation achieved a 22.7-fold acceleration over the corresponding conventional FMM calculation. In the cooperative calculations of the FMM and MD-Engine II, it was possible to achieve more accurate computation at a comparable execution time by incorporating larger nearby regions. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 582-592, 2003

Multipolar Ewald methods, 1: theory, accuracy, and performance.

PubMed

Giese, Timothy J; Panteva, Maria T; Chen, Haoyuan; York, Darrin M

2015-02-10

The Ewald, Particle Mesh Ewald (PME), and Fast Fourier–Poisson (FFP) methods are developed for systems composed of spherical multipole moment expansions. A unified set of equations is derived that takes advantage of a spherical tensor gradient operator formalism in both real space and reciprocal space to allow extension to arbitrary multipole order. The implementation of these methods into a novel linear-scaling modified “divide-and-conquer” (mDC) quantum mechanical force field is discussed. The evaluation times and relative force errors are compared between the three methods, as a function of multipole expansion order. Timings and errors are also compared within the context of the quantum mechanical force field, which encounters primary errors related to the quality of reproducing electrostatic forces for a given density matrix and secondary errors resulting from the propagation of the approximate electrostatics into the self-consistent field procedure, which yields a converged, variational, but nonetheless approximate density matrix. Condensed-phase simulations of an mDC water model are performed with the multipolar PME method and compared to an electrostatic cutoff method, which is shown to artificially increase the density of water and heat of vaporization relative to full electrostatic treatment.

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.

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

DTIC Science & Technology

2010-05-31

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

Planning & Priority Setting for Basic Research

DTIC Science & Technology

2010-05-05

Integrated into numerous commercial codes in aerospace, automotive , semiconductor, and chemical industries Fast Multipole Methods (ONR 31) Applications... Use knowledge (even failures) to reduce risk in acquisition Provide the basis for future Navy and arine Corps syste s Ensure research...relevancy to Naval S&T strategy Transition pro ising Basic Research to applications Use kno ledge (even failures) to reduce risk in acquisition Maintain

FleCSPH - a parallel and distributed SPH implementation based on the FleCSI framework

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

Junghans, Christoph; Loiseau, Julien

2017-06-20

FleCSPH is a multi-physics compact application that exercises FleCSI parallel data structures for tree-based particle methods. In particular, FleCSPH implements a smoothed-particle hydrodynamics (SPH) solver for the solution of Lagrangian problems in astrophysics and cosmology. FleCSPH includes support for gravitational forces using the fast multipole method (FMM).

An accurate and efficient acoustic eigensolver based on a fast multipole BEM and a contour integral method

NASA Astrophysics Data System (ADS)

Zheng, Chang-Jun; Gao, Hai-Feng; Du, Lei; Chen, Hai-Bo; Zhang, Chuanzeng

2016-01-01

An accurate numerical solver is developed in this paper for eigenproblems governed by the Helmholtz equation and formulated through the boundary element method. A contour integral method is used to convert the nonlinear eigenproblem into an ordinary eigenproblem, so that eigenvalues can be extracted accurately by solving a set of standard boundary element systems of equations. In order to accelerate the solution procedure, the parameters affecting the accuracy and efficiency of the method are studied and two contour paths are compared. Moreover, a wideband fast multipole method is implemented with a block IDR (s) solver to reduce the overall solution cost of the boundary element systems of equations with multiple right-hand sides. The Burton-Miller formulation is employed to identify the fictitious eigenfrequencies of the interior acoustic problems with multiply connected domains. The actual effect of the Burton-Miller formulation on tackling the fictitious eigenfrequency problem is investigated and the optimal choice of the coupling parameter as α = i / k is confirmed through exterior sphere examples. Furthermore, the numerical eigenvalues obtained by the developed method are compared with the results obtained by the finite element method to show the accuracy and efficiency of the developed method.

A fast isogeometric BEM for the three dimensional Laplace- and Helmholtz problems

NASA Astrophysics Data System (ADS)

Dölz, Jürgen; Harbrecht, Helmut; Kurz, Stefan; Schöps, Sebastian; Wolf, Felix

2018-03-01

We present an indirect higher order boundary element method utilising NURBS mappings for exact geometry representation and an interpolation-based fast multipole method for compression and reduction of computational complexity, to counteract the problems arising due to the dense matrices produced by boundary element methods. By solving Laplace and Helmholtz problems via a single layer approach we show, through a series of numerical examples suitable for easy comparison with other numerical schemes, that one can indeed achieve extremely high rates of convergence of the pointwise potential through the utilisation of higher order B-spline-based ansatz functions.

Efficient electronic structure theory via hierarchical scale-adaptive coupled-cluster formalism: I. Theory and computational complexity analysis

NASA Astrophysics Data System (ADS)

Lyakh, Dmitry I.

2018-03-01

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the hierarchical techniques from the renormalisation group approach, H/H2-matrix algebra and fast multipole method, the computational scaling reduction in our formalism is achieved via coarsening of quantum many-body interactions at larger interaction scales, thus imposing a hierarchical structure on many-body tensors of coupled-cluster theory. In our approach, the interaction scale can be defined on any appropriate Euclidean domain (spatial domain, momentum-space domain, energy domain, etc.). We show that the hierarchically resolved many-body tensors can reduce the storage requirements to O(N), where N is the number of simulated quantum particles. Subsequently, we prove that any connected many-body diagram consisting of a finite number of arbitrary-order tensors, e.g. an arbitrary coupled-cluster diagram, can be evaluated in O(NlogN) floating-point operations. On top of that, we suggest an additional approximation to further reduce the computational complexity of higher order coupled-cluster equations, i.e. equations involving higher than double excitations, which otherwise would introduce a large prefactor into formal O(NlogN) scaling.

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

NASA Astrophysics Data System (ADS)

Zhang, Bo; Huang, Jingfang; Pitsianis, Nikos P.; Sun, Xiaobai

2010-12-01

FMM-YUKAWA is a mathematical software package primarily for rapid evaluation of the screened Coulomb interactions of N particles in three dimensional space. Since its release, we have revised and re-organized the data structure, software architecture, and user interface, for the purpose of enabling more flexible, broader and easier use of the package. The package and its documentation are available at http://www.fastmultipole.org/, along with a few other closely related mathematical software packages. New version program summaryProgram title: FMM-Yukawa Catalogue identifier: AEEQ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL 2.0 No. of lines in distributed program, including test data, etc.: 78 704 No. of bytes in distributed program, including test data, etc.: 854 265 Distribution format: tar.gz Programming language: FORTRAN 77, FORTRAN 90, and C. Requires gcc and gfortran version 4.4.3 or later Computer: All Operating system: Any Classification: 4.8, 4.12 Catalogue identifier of previous version: AEEQ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2331 Does the new version supersede the previous version?: Yes 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: The new version of fast multipole method (FMM) that diagonalizes the multipole-to-local translation operator is applied with the tree structure adaptive to sample particle locations. Reasons for new version: To handle much larger particle ensembles, to enable the iterative use of the subroutines in a solver, and to remove potential contention in assignments for parallelization. Summary of revisions: The software package FMM-Yukawa has been revised and re-organized in data structure, software architecture, programming methods, and user interface. The revision enables more flexible use of the package and economic use of memory resources. It consists of five stages. The initial stage (stage 1) determines, based on the accuracy requirement and FMM theory, the length of multipole expansions and the number of quadrature points for diagonalization, and loads the quadrature nodes and weights that are computed off line. Stage 2 constructs the oct-tree and interaction lists, with adaptation to the sparsity or density of particles and employing a dynamic memory allocation scheme at every tree level. Stage 3 executes the core FMM subroutine for numerical calculation of the particle interactions. The subroutine can now be used iteratively as in a solver, while the particle locations remain the same. Stage 4 releases the memory allocated in Stage 2 for the adaptive tree and interaction lists. The user can modify the iterative routine easily. When the particle locations are changed such as in a molecular dynamics simulation, stage 2 to 4 can also be used together repeatedly. The final stage releases the memory space used for the quadrature and other remaining FMM parameters. Programs at the stage level and at the user interface are re-written in the C programming language, while most of the translation and interaction operations remain in FORTRAN. As a result of the change in data structures and memory allocation, the revised package can accommodate much larger particle ensembles while maintaining the same accuracy-efficiency performance. The new version is also developed as an important precursor to its parallel counterpart on multi-core or many core processors in a shared memory programming environment. Particularly, in order to ensure mutual exclusion in concurrent updates without incurring extra latency, we have replaced all the assignment statements at a source box that put its data to multiple target boxes with assignments at every target box that gather data from source boxes. This amounts to replacing the column version of matrix-vector multiplication with the row version. The matrix here, however, is in compressive representation. Sufficient care is taken in the revision not to alter the algorithmic complexity or numerical behavior, as concurrent writing potentially takes place in the upward calculation of the multipole expansion coefficients, interactions at every level of the FMM tree, and downward calculation of the local expansion coefficients. The software modules and their compositions are also organized according to the stages they are used. Demonstration files and makefiles for merging the user routines and the library routines are provided. Restrictions: Accuracy requirement is described in terms of three or six digits. Higher multiples of three digits will be allowed in a later version. Finer decimation in digits for accuracy specification may or may not be necessary. Unusual features: Ready and friendly for customized use and instrumental in expression of concurrency and dependency for efficient parallelization. Running time: The running time depends linearly on the number N of particles, and varies with the distribution characteristics of the particle distribution. It also depends on the accuracy requirement, a higher accuracy requirement takes relatively longer time. The code outperforms the direct summation method when N⩾750.

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

Multi-scale and Multi-physics Numerical Methods for Modeling Transport in Mesoscopic Systems

DTIC Science & Technology

2014-10-13

function and wide band Fast multipole methods for Hankel waves. (2) a new linear scaling discontinuous Galerkin density functional theory, which provide a...inflow boundary condition for Wigner quantum transport equations. Also, a book titled "Computational Methods for Electromagnetic Phenomena...equationsin layered media with FMM for Bessel functions , Science China Mathematics, (12 2013): 2561. doi: TOTAL: 6 Number of Papers published in peer

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).

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.

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

PubMed

Gumerov, Nail A; Duraiswami, Ramani

2009-01-01

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

An optimal FFT-based anisotropic power spectrum estimator

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

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

Hand, Nick; Seljak, Uroš; Li, Yin

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

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

PubMed Central

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

2010-01-01

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

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.

An inventory of bispectrum estimators for redshift space distortions

NASA Astrophysics Data System (ADS)

Regan, Donough

2017-12-01

In order to best improve constraints on cosmological parameters and on models of modified gravity using current and future galaxy surveys it is necessary maximally exploit the available data. As redshift-space distortions mean statistical translation invariance is broken for galaxy observations, this will require measurement of the monopole, quadrupole and hexadecapole of not just the galaxy power spectrum, but also the galaxy bispectrum. A recent (2015) paper by Scoccimarro demonstrated how the standard bispectrum estimator may be expressed in terms of Fast Fourier Transforms (FFTs) to afford an extremely efficient algorithm, allowing the bispectrum multipoles on all scales and triangle shapes to be measured in comparable time to those of the power spectrum. In this paper we present a suite of alternative proxies to measure the three-point correlation multipoles. In particular, we describe a modal (or plane wave) decomposition to capture the information in each multipole in a series of basis coefficients, and also describe three compressed estimators formed using the skew-spectrum, the line correlation function and the integrated bispectrum, respectively. As well as each of the estimators offering a different measurement channel, and thereby a robustness check, it is expected that some (especially the modal estimator) will offer a vast data compression, and so a much reduced covariance matrix. This compression may be vital to reduce the computational load involved in extracting the available three-point information.

HPAM: Hirshfeld Partitioned Atomic Multipoles

PubMed Central

Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.

2011-01-01

An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank lmax on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from lmax = 0 (atomic charges) to lmax = 4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank lmax are shown to exactly reproduce ab initio molecular multipole moments of rank L for L ≤ lmax. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only (lmax = 0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. PMID:22140274

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.

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

Contract W911NF-09-1-0488 (Rush University Medical Center)

DTIC Science & Technology

2012-11-23

algorithm. In Proceedings of the 1993 ACM/IEEE Conference on Supercomputing, pages 12�21, New York, 1993. ACM. [8] R. Yokota, T. Hamada, J. P. Bardhan , M...computing gravity anom- alies. Geophysical Journal International, 2011. to appear. [13] R. Yokota, T. Hamada, J. P. Bardhan , M. G. Knepley, and L. A. Barba...extension of the petfmm a fast multipole library. Presentation at WCCM 2010, Sydney Australia, 2010. [15] J. P. Bardhan . Interpreting the Coulomb

Petascale turbulence simulation using a highly parallel fast multipole method on GPUs

NASA Astrophysics Data System (ADS)

Yokota, Rio; Barba, L. A.; Narumi, Tetsu; Yasuoka, Kenji

2013-03-01

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on GPU hardware using single precision. The simulations use a vortex particle method to solve the Navier-Stokes equations, with a highly parallel fast multipole method (FMM) as numerical engine, and match the current record in mesh size for this application, a cube of 40963 computational points solved with a spectral method. The standard numerical approach used in this field is the pseudo-spectral method, relying on the FFT algorithm as the numerical engine. The particle-based simulations presented in this paper quantitatively match the kinetic energy spectrum obtained with a pseudo-spectral method, using a trusted code. In terms of parallel performance, weak scaling results show the FMM-based vortex method achieving 74% parallel efficiency on 4096 processes (one GPU per MPI process, 3 GPUs per node of the TSUBAME-2.0 system). The FFT-based spectral method is able to achieve just 14% parallel efficiency on the same number of MPI processes (using only CPU cores), due to the all-to-all communication pattern of the FFT algorithm. The calculation time for one time step was 108 s for the vortex method and 154 s for the spectral method, under these conditions. Computing with 69 billion particles, this work exceeds by an order of magnitude the largest vortex-method calculations to date.

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

NASA Astrophysics Data System (ADS)

Chen, C.; Aubry, S.; Oppelstrup, T.; Arsenlis, A.; Darve, E.

2018-06-01

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

An O(N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

NASA Astrophysics Data System (ADS)

Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; Qin, Jian; Karpeev, Dmitry; Hernandez-Ortiz, Juan; de Pablo, Juan J.; Heinonen, Olle

2016-08-01

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O(N2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Method (FMM) to evaluate the integrals in O(N) operations, with O(N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. The results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.

An O( N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

DOE PAGES

Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; ...

2016-08-10

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O( N 2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Methodmore » (FMM) to evaluate the integrals in O( N) operations, with O( N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. Lastly, the results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.« less

An FMM-FFT Accelerated SIE Simulator for Analyzing EM Wave Propagation in Mine Environments Loaded With Conductors

PubMed Central

Sheng, Weitian; Zhou, Chenming; Liu, Yang; Bagci, Hakan; Michielssen, Eric

2018-01-01

A fast and memory efficient three-dimensional full-wave simulator for analyzing electromagnetic (EM) wave propagation in electrically large and realistic mine tunnels/galleries loaded with conductors is proposed. The simulator relies on Muller and combined field surface integral equations (SIEs) to account for scattering from mine walls and conductors, respectively. During the iterative solution of the system of SIEs, the simulator uses a fast multipole method-fast Fourier transform (FMM-FFT) scheme to reduce CPU and memory requirements. The memory requirement is further reduced by compressing large data structures via singular value and Tucker decompositions. The efficiency, accuracy, and real-world applicability of the simulator are demonstrated through characterization of EM wave propagation in electrically large mine tunnels/galleries loaded with conducting cables and mine carts. PMID:29726545

Cheaper Synthesis Of Multipole-Brushless-dc-Motor Current

NASA Technical Reports Server (NTRS)

Alhorn, Dean C.; Howard, David E.

1994-01-01

Circuit converts output of single two-phase shaft-angle resolver to that of multi-speed three-phase shaft-angle resolver. Converter circuit applicable to generation of multispeed, multiphase shaft-angle-resolver signals from single two-phase shaft-angle resolver. Combination of converter circuit and single two-phase shaft-angle resolver offer advantages in cost, weight, size, and complexity. Design readily adaptable to two-phase motor.

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.

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.

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.

A polyvalent harmonic coil testing method for small-aperture magnets

NASA Astrophysics Data System (ADS)

Arpaia, Pasquale; Buzio, Marco; Golluccio, Giancarlo; Walckiers, Louis

2012-08-01

A method to characterize permanent and fast-pulsed iron-dominated magnets with small apertures is presented. The harmonic coil measurement technique is enhanced specifically for small-aperture magnets by (1) in situ calibration, for facing search-coil production inaccuracy, (2) rotating the magnet around its axis, for correcting systematic effects, and (3) measuring magnetic fluxes by stationary coils at different angular positions for measuring fast pulsed magnets. This method allows a quadrupole magnet for particle accelerators to be characterized completely, by assessing multipole field components, magnetic axis position, and field direction. In this paper, initially the metrological problems arising from testing small-aperture magnets are highlighted. Then, the basic ideas of the proposed method and the architecture of the corresponding measurement system are illustrated. Finally, experimental validation results are shown for small-aperture permanent and fast-ramped quadrupole magnets for the new linear accelerator Linac4 at CERN (European Organization for Nuclear Research).

Windowed multipole for cross section Doppler broadening

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

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

PubMed

Liu, Yangfan; Bolton, J Stuart

2016-08-01

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

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.

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.

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.

Electromagnetic Launch Vehicle Fairing and Acoustic Blanket Model of Received Power Using FEKO

NASA Technical Reports Server (NTRS)

Trout, Dawn H.; Stanley, James E.; Wahid, Parveen F.

2011-01-01

Evaluating the impact of radio frequency transmission in vehicle fairings is important to sensitive spacecraft. This paper employees the Multilevel Fast Multipole Method (MLFMM) feature of a commercial electromagnetic tool to model the fairing electromagnetic environment in the presence of an internal transmitter. This work is an extension of the perfect electric conductor model that was used to represent the bare aluminum internal fairing cavity. This fairing model includes typical acoustic blanketing commonly used in vehicle fairings. Representative material models within FEKO were successfully used to simulate the test case.

Elongation cutoff technique armed with quantum fast multipole method for linear scaling.

PubMed

Korchowiec, Jacek; Lewandowski, Jakub; Makowski, Marcin; Gu, Feng Long; Aoki, Yuriko

2009-11-30

A linear-scaling implementation of the elongation cutoff technique (ELG/C) that speeds up Hartree-Fock (HF) self-consistent field calculations is presented. The cutoff method avoids the known bottleneck of the conventional HF scheme, that is, diagonalization, because it operates within the low dimension subspace of the whole atomic orbital space. The efficiency of ELG/C is illustrated for two model systems. The obtained results indicate that the ELG/C is a very efficient sparse matrix algebra scheme. Copyright 2009 Wiley Periodicals, Inc.

The parity-adapted basis set in the formulation of the photofragment angular momentum polarization problem: The role of the Coriolis interaction

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

Shternin, Peter S.; Vasyutinskii, Oleg S.

We present a theoretical framework for calculating the recoil-angle dependence of the photofragment angular momentum polarization taking into account both radial and Coriolis nonadiabatic interactions in the diatomic/linear photodissociating molecules. The parity-adapted representation of the total molecular wave function has been used throughout the paper. The obtained full quantum-mechanical expressions for the photofragment state multipoles have been simplified by using the semiclassical approximation in the high-J limit and then analyzed for the cases of direct photodissociation and slow predissociation in terms of the anisotropy parameters. In both cases, each anisotropy parameter can be presented as a linear combination of themore » generalized dynamical functions f{sub K}(q,q{sup '},q-tilde,q-tilde{sup '}) of the rank K representing contribution from different dissociation mechanisms including possible radial and Coriolis nonadiabatic transitions, coherent effects, and the rotation of the recoil axis. In the absence of the Coriolis interactions, the obtained results are equivalent to the earlier published ones. The angle-recoil dependence of the photofragment state multipoles for an arbitrary photolysis reaction is derived. As shown, the polarization of the photofragments in the photolysis of a diatomic or a polyatomic molecule can be described in terms of the anisotropy parameters irrespective of the photodissociation mechanism.« 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.

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.

Computation of scattering matrix elements of large and complex shaped absorbing particles with multilevel fast multipole algorithm

NASA Astrophysics Data System (ADS)

Wu, Yueqian; Yang, Minglin; Sheng, Xinqing; Ren, Kuan Fang

2015-05-01

Light scattering properties of absorbing particles, such as the mineral dusts, attract a wide attention due to its importance in geophysical and environment researches. Due to the absorbing effect, light scattering properties of particles with absorption differ from those without absorption. Simple shaped absorbing particles such as spheres and spheroids have been well studied with different methods but little work on large complex shaped particles has been reported. In this paper, the surface Integral Equation (SIE) with Multilevel Fast Multipole Algorithm (MLFMA) is applied to study scattering properties of large non-spherical absorbing particles. SIEs are carefully discretized with piecewise linear basis functions on triangle patches to model whole surface of the particle, hence computation resource needs increase much more slowly with the particle size parameter than the volume discretized methods. To improve further its capability, MLFMA is well parallelized with Message Passing Interface (MPI) on distributed memory computer platform. Without loss of generality, we choose the computation of scattering matrix elements of absorbing dust particles as an example. The comparison of the scattering matrix elements computed by our method and the discrete dipole approximation method (DDA) for an ellipsoid dust particle shows that the precision of our method is very good. The scattering matrix elements of large ellipsoid dusts with different aspect ratios and size parameters are computed. To show the capability of the presented algorithm for complex shaped particles, scattering by asymmetry Chebyshev particle with size parameter larger than 600 of complex refractive index m = 1.555 + 0.004 i and different orientations are studied.

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

Multipole Structure and Coordinate Systems

ERIC Educational Resources Information Center

Burko, Lior M.

2007-01-01

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

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

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

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

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

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

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

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

Ion source design for industrial applications

NASA Technical Reports Server (NTRS)

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

1981-01-01

The design of broad-beam industrial ion sources is described. The approach used emphasizes refractory metal cathodes and permanent-magnet multipole discharge chambers. Design procedures and sample calculations are given for the discharge chamber, ion optics, cathodes, and magnetic circuit. Hardware designs are included for the isolator, cathode supports, anode supports, pole-piece assembly, and ion-optics supports. There are other ways of designing most ion source components, but the designs presented are representative of current technology and adaptable to a wide range of configurations.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

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

NASA Astrophysics Data System (ADS)

Lee, Seokcheon

2018-02-01

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

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

PubMed

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

2018-04-20

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

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

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

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

1998-07-01

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

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.

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.

Searching the Force Field Electrostatic Multipole Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2016-04-12

We show by tensor decomposition analyses that the molecular electrostatic potential for amino acid peptide models has an effective rank less than twice the number of atoms. This rank indicates the number of parameters that can be derived from the electrostatic potential in a statistically significant way. Using this as a guideline, we investigate different strategies for deriving a reduced set of atomic charges, dipoles, and quadrupoles capable of reproducing the reference electrostatic potential with a low error. A full combinatorial search of selected parameter subspaces for N-methylacetamide and a cysteine peptide model indicates that there are many different parameter sets capable of providing errors close to that of the global minimum. Among the different reduced multipole parameter sets that have low errors, there is consensus that atoms involved in π-bonding require higher order multipole moments. The possible correlation between multipole parameters is investigated by exhaustive searches of combinations of up to four parameters distributed in all possible ways on all possible atomic sites. These analyses show that there is no advantage in considering combinations of multipoles compared to a simple approach where the importance of each multipole moment is evaluated sequentially. When combined with possible weighting factors related to the computational efficiency of each type of multipole moment, this may provide a systematic strategy for determining a computational efficient representation of the electrostatic component in force field calculations.

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.

Computational study of scattering of a zero-order Bessel beam by large nonspherical homogeneous particles with the multilevel fast multipole algorithm

NASA Astrophysics Data System (ADS)

Yang, Minglin; Wu, Yueqian; Sheng, Xinqing; Ren, Kuan Fang

2017-12-01

Computation of scattering of shaped beams by large nonspherical particles is a challenge in both optics and electromagnetics domains since it concerns many research fields. In this paper, we report our new progress in the numerical computation of the scattering diagrams. Our algorithm permits to calculate the scattering of a particle of size as large as 110 wavelengths or 700 in size parameter. The particle can be transparent or absorbing of arbitrary shape, smooth or with a sharp surface, such as the Chebyshev particles or ice crystals. To illustrate the capacity of the algorithm, a zero order Bessel beam is taken as the incident beam, and the scattering of ellipsoidal particles and Chebyshev particles are taken as examples. Some special phenomena have been revealed and examined. The scattering problem is formulated with the combined tangential formulation and solved iteratively with the aid of the multilevel fast multipole algorithm, which is well parallelized with the message passing interface on the distributed memory computer platform using the hybrid partitioning strategy. The numerical predictions are compared with the results of the rigorous method for a spherical particle to validate the accuracy of the approach. The scattering diagrams of large ellipsoidal particles with various parameters are examined. The effect of aspect ratios, as well as half-cone angle of the incident zero-order Bessel beam and the off-axis distance on scattered intensity, is studied. Scattering by asymmetry Chebyshev particle with size parameter larger than 700 is also given to show the capability of the method for computing scattering by arbitrary shaped particles.

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.

A fast immersed boundary method for external incompressible viscous flows using lattice Green's functions

NASA Astrophysics Data System (ADS)

Liska, Sebastian; Colonius, Tim

2017-02-01

A new parallel, computationally efficient immersed boundary method for solving three-dimensional, viscous, incompressible flows on unbounded domains is presented. Immersed surfaces with prescribed motions are generated using the interpolation and regularization operators obtained from the discrete delta function approach of the original (Peskin's) immersed boundary method. Unlike Peskin's method, boundary forces are regarded as Lagrange multipliers that are used to satisfy the no-slip condition. The incompressible Navier-Stokes equations are discretized on an unbounded staggered Cartesian grid and are solved in a finite number of operations using lattice Green's function techniques. These techniques are used to automatically enforce the natural free-space boundary conditions and to implement a novel block-wise adaptive grid that significantly reduces the run-time cost of solutions by limiting operations to grid cells in the immediate vicinity and near-wake region of the immersed surface. These techniques also enable the construction of practical discrete viscous integrating factors that are used in combination with specialized half-explicit Runge-Kutta schemes to accurately and efficiently solve the differential algebraic equations describing the discrete momentum equation, incompressibility constraint, and no-slip constraint. Linear systems of equations resulting from the time integration scheme are efficiently solved using an approximation-free nested projection technique. The algebraic properties of the discrete operators are used to reduce projection steps to simple discrete elliptic problems, e.g. discrete Poisson problems, that are compatible with recent parallel fast multipole methods for difference equations. Numerical experiments on low-aspect-ratio flat plates and spheres at Reynolds numbers up to 3700 are used to verify the accuracy and physical fidelity of the formulation.

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

Thirolf, P. G.; Habs, D.; Filipescu, D.

Next-generation {gamma} beams from laser Compton-backscattering facilities like ELI-NP (Bucharest)] or MEGa-Ray (Livermore) will drastically exceed the photon flux presently available at existing facilities, reaching or even exceeding 10{sup 13}{gamma}/sec. The beam structure as presently foreseen for MEGa-Ray and ELI-NP builds upon a structure of macro-pulses ({approx}120 Hz) for the electron beam, accelerated with X-band technology at 11.5 GHz, resulting in a micro structure of 87 ps distance between the electron pulses acting as mirrors for a counterpropagating intense laser. In total each 8.3 ms a {gamma} pulse series with a duration of about 100 ns will impinge on themore » target, resulting in an instantaneous photon flux of about 10{sup 18}{gamma}/s, thus introducing major challenges in view of pile-up. Novel {gamma} optics will be applied to monochromatize the {gamma} beam to ultimately {Delta}E/E{approx}10{sup -6}. Thus level-selective spectroscopy of higher multipole excitations will become accessible with good contrast for the first time. Fast responding {gamma} detectors, e.g. based on advanced scintillator technology (e.g. LaBr{sub 3}(Ce)) allow for measurements with count rates as high as 10{sup 6}-10{sup 7}{gamma}/s without significant drop of performance. Data handling adapted to the beam conditions could be performed by fast digitizing electronics, able to sample data traces during the micro-pulse duration, while the subsequent macro-pulse gap of ca. 8 ms leaves ample time for data readout. A ball of LaBr{sub 3} detectors with digital readout appears to best suited for this novel type of nuclear photonics at ultra-high counting rates.« less

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.

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.

Ion source design for industrial applications

NASA Technical Reports Server (NTRS)

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

1981-01-01

The more frequently used design techniques for the components of broad-beam electron bombardment ion sources are discussed. The approach used emphasizes refractory metal cathodes and permanent-magnet multipole discharge chambers. Design procedures and sample calculations are given for the discharge chamber, ion optics, the cathodes, and the magnetic circuit. Hardware designs are included for the isolator, cathode supports, anode supports, pole-piece assembly, and ion-optics supports. A comparison is made between two-grid and three-grid optics. The designs presented are representative of current technology and are adaptable to a wide range of configurations.

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.

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

Gniewek, Piotr, E-mail: pgniewek@tiger.chem.uw.edu.pl; Jeziorski, Bogumił, E-mail: jeziorsk@chem.uw.edu.pl

The exchange splitting J of the interaction energy of the hydrogen atom with a proton is calculated using the conventional surface-integral formula J{sub surf}[Φ], the volume-integral formula of the symmetry-adapted perturbation theory J{sub SAPT}[Φ], and a variational volume-integral formula J{sub var}[Φ]. The calculations are based on the multipole expansion of the wave function Φ, which is divergent for any internuclear distance R. Nevertheless, the resulting approximations to the leading coefficient j{sub 0} in the large-R asymptotic series J(R) = 2e{sup −R−1}R(j{sub 0} + j{sub 1}R{sup −1} + j{sub 2}R{sup −2} + ⋯) converge with the rate corresponding to the convergencemore » radii equal to 4, 2, and 1 when the J{sub var}[Φ], J{sub surf}[Φ], and J{sub SAPT}[Φ] formulas are used, respectively. Additionally, we observe that also the higher j{sub k} coefficients are predicted correctly when the multipole expansion is used in the J{sub var}[Φ] and J{sub surf}[Φ] formulas. The symmetry adapted perturbation theory formula J{sub SAPT}[Φ] predicts correctly only the first two coefficients, j{sub 0} and j{sub 1}, gives a wrong value of j{sub 2}, and diverges for higher j{sub n}. Since the variational volume-integral formula can be easily generalized to many-electron systems and evaluated with standard basis-set techniques of quantum chemistry, it provides an alternative for the determination of the exchange splitting and the exchange contribution of the interaction potential in general.« less

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

PubMed

Moroi, Takeo; Takahashi, Tomo

2004-03-05

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

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

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

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

2015-04-15

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

Computer Science Techniques Applied to Parallel Atomistic Simulation

NASA Astrophysics Data System (ADS)

Nakano, Aiichiro

1998-03-01

Recent developments in parallel processing technology and multiresolution numerical algorithms have established large-scale molecular dynamics (MD) simulations as a new research mode for studying materials phenomena such as fracture. However, this requires large system sizes and long simulated times. We have developed: i) Space-time multiresolution schemes; ii) fuzzy-clustering approach to hierarchical dynamics; iii) wavelet-based adaptive curvilinear-coordinate load balancing; iv) multilevel preconditioned conjugate gradient method; and v) spacefilling-curve-based data compression for parallel I/O. Using these techniques, million-atom parallel MD simulations are performed for the oxidation dynamics of nanocrystalline Al. The simulations take into account the effect of dynamic charge transfer between Al and O using the electronegativity equalization scheme. The resulting long-range Coulomb interaction is calculated efficiently with the fast multipole method. Results for temperature and charge distributions, residual stresses, bond lengths and bond angles, and diffusivities of Al and O will be presented. The oxidation of nanocrystalline Al is elucidated through immersive visualization in virtual environments. A unique dual-degree education program at Louisiana State University will also be discussed in which students can obtain a Ph.D. in Physics & Astronomy and a M.S. from the Department of Computer Science in five years. This program fosters interdisciplinary research activities for interfacing High Performance Computing and Communications with large-scale atomistic simulations of advanced materials. This work was supported by NSF (CAREER Program), ARO, PRF, and Louisiana LEQSF.

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

NASA Astrophysics Data System (ADS)

Özdem, U.; Azizi, K.

2018-05-01

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

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

NASA Astrophysics Data System (ADS)

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

2009-12-01

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

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

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.

An implicit boundary integral method for computing electric potential of macromolecules in solvent

NASA Astrophysics Data System (ADS)

Zhong, Yimin; Ren, Kui; Tsai, Richard

2018-04-01

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equation that arises in mathematical models for the electrostatics of molecules in solvent. The proposed method uses an implicit boundary integral formulation to derive a linear system defined on Cartesian nodes in a narrowband surrounding the closed surface that separates the molecule and the solvent. The needed implicit surface is constructed from the given atomic description of the molecules, by a sequence of standard level set algorithms. A fast multipole method is applied to accelerate the solution of the linear system. A few numerical studies involving some standard test cases are presented and compared to other existing results.

Comparison of the convolution quadrature method and enhanced inverse FFT with application in elastodynamic boundary element method

NASA Astrophysics Data System (ADS)

Schanz, Martin; Ye, Wenjing; Xiao, Jinyou

2016-04-01

Transient problems can often be solved with transformation methods, where the inverse transformation is usually performed numerically. Here, the discrete Fourier transform in combination with the exponential window method is compared with the convolution quadrature method formulated as inverse transformation. Both are inverse Laplace transforms, which are formally identical but use different complex frequencies. A numerical study is performed, first with simple convolution integrals and, second, with a boundary element method (BEM) for elastodynamics. Essentially, when combined with the BEM, the discrete Fourier transform needs less frequency calculations, but finer mesh compared to the convolution quadrature method to obtain the same level of accuracy. If further fast methods like the fast multipole method are used to accelerate the boundary element method the convolution quadrature method is better, because the iterative solver needs much less iterations to converge. This is caused by the larger real part of the complex frequencies necessary for the calculation, which improves the conditions of system matrix.

Apparatus and method of dissociating ions in a multipole ion guide

DOEpatents

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

2014-07-08

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

Strong Evidence for Nucleon Resonances near 1900 MeV

DOE PAGES

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

2017-08-11

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

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

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

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

Strong Evidence for Nucleon Resonances near 1900 MeV

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

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

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

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

2016-02-01

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

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.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Electron beam control for barely separated beams

DOEpatents

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

2017-04-18

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

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

NASA Astrophysics Data System (ADS)

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

2012-03-01

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

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

NASA Astrophysics Data System (ADS)

Parnovsky, S.

2017-06-01

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

Visual Multipoles And The Assessment Of Visual Sensitivity To Displayed Images

NASA Astrophysics Data System (ADS)

Klein, Stanley A.

1989-08-01

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

Strategies for global optimization in photonics design.

PubMed

Vukovic, Ana; Sewell, Phillip; Benson, Trevor M

2010-10-01

This paper reports on two important issues that arise in the context of the global optimization of photonic components where large problem spaces must be investigated. The first is the implementation of a fast simulation method and associated matrix solver for assessing particular designs and the second, the strategies that a designer can adopt to control the size of the problem design space to reduce runtimes without compromising the convergence of the global optimization tool. For this study an analytical simulation method based on Mie scattering and a fast matrix solver exploiting the fast multipole method are combined with genetic algorithms (GAs). The impact of the approximations of the simulation method on the accuracy and runtime of individual design assessments and the consequent effects on the GA are also examined. An investigation of optimization strategies for controlling the design space size is conducted on two illustrative examples, namely, 60° and 90° waveguide bends based on photonic microstructures, and their effectiveness is analyzed in terms of a GA's ability to converge to the best solution within an acceptable timeframe. Finally, the paper describes some particular optimized solutions found in the course of this work.

An Optimal Control Modification to Model-Reference Adaptive Control for Fast Adaptation

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Krishnakumar, Kalmanje; Boskovic, Jovan

2008-01-01

This paper presents a method that can achieve fast adaptation for a class of model-reference adaptive control. It is well-known that standard model-reference adaptive control exhibits high-gain control behaviors when a large adaptive gain is used to achieve fast adaptation in order to reduce tracking error rapidly. High gain control creates high-frequency oscillations that can excite unmodeled dynamics and can lead to instability. The fast adaptation approach is based on the minimization of the squares of the tracking error, which is formulated as an optimal control problem. The necessary condition of optimality is used to derive an adaptive law using the gradient method. This adaptive law is shown to result in uniform boundedness of the tracking error by means of the Lyapunov s direct method. Furthermore, this adaptive law allows a large adaptive gain to be used without causing undesired high-gain control effects. The method is shown to be more robust than standard model-reference adaptive control. Simulations demonstrate the effectiveness of the proposed method.

Particle Tracking on the BNL Relativistic Heavy Ion Collider

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

Dell, G. F.

1986-08-07

Tracking studies including the effects of random multipole errors as well as the effects of random and systematic multipole errors have been made for RHIC. Initial results for operating at an off diagonal working point are discussed.

Magnetic measurements of the 12-pole trim magnets for the 200 MeV compact synchrotron XLS at the National Synchrotron Light Source

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

Krishnaswamy, J.; Kalsi, S.; Hsieh, H.

1991-01-01

Magnetic measurements performed on the 12-pole trim magnets is described including Hall probe measurements to verify symmetry of the field and, rotating coil measurements to map the multipoles. The rotating coil measurements were carried out using a HP Dynamic Signal Analyzer. Excited as a quadrupole the dominant error multipole is the 20th pole and excited as a sextrupole the dominant error multipole is the 18th pole. Reasonable agreement was found between the Hall probe measurements and the rotating coil measurements. 2 refs., 5 figs.

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

NASA Astrophysics Data System (ADS)

Wu, Hong-Yu; Jiang, Li-Hong

2018-03-01

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

Newman-Penrose constants of the Kerr-Newman metric

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

Gong Xuefei; Shang Yu; Bai Shan

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

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

DOE PAGES

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

2017-07-11

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

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

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

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

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

Gravitational tree-code on graphics processing units: implementation in CUDA

NASA Astrophysics Data System (ADS)

Gaburov, Evghenii; Bédorf, Jeroen; Portegies Zwart, Simon

2010-05-01

We present a new very fast tree-code which runs on massively parallel Graphical Processing Units (GPU) with NVIDIA CUDA architecture. The tree-construction and calculation of multipole moments is carried out on the host CPU, while the force calculation which consists of tree walks and evaluation of interaction list is carried out on the GPU. In this way we achieve a sustained performance of about 100GFLOP/s and data transfer rates of about 50GB/s. It takes about a second to compute forces on a million particles with an opening angle of θ ≈ 0.5. The code has a convenient user interface and is freely available for use. http://castle.strw.leidenuniv.nl/software/octgrav.html

Resonant Spectra of Malignant Breast Cancer Tumors Using the Three-Dimensional Electromagnetic Fast Multipole Model. Part 1

NASA Technical Reports Server (NTRS)

El-Shenawee, Magda

2003-01-01

An intensive numerical study for the resonance scattering of malignant breast cancer tumors is presented. The rigorous three-dimensional electromagnetic model, based on the equivalence theorem, is used to obtain the induced electric and magnetic currents on the breast and tumor surfaces. The results show that a non-spherical malignant tumor can be characterized based its spectra regardless of its orientation, the incident polarization, or the incident or scattered directions. The tumor's spectra depend solely on its physical characteristics (i.e., the shape and the electrical properties), however, their locations are not functions of its burial depth. This work provides a useful guidance to select the appropriate frequency range for the tumor's size.

Electromagnetic Launch Vehicle Fairing and Acoustic Blanket Model of Received Power Using FEKO

NASA Technical Reports Server (NTRS)

Trout, Dawn H.; Stanley, James E.; Wahid, Parveen F.

2011-01-01

Evaluating the impact of radio frequency transmission in vehicle fairings is important to electromagnetically sensitive spacecraft. This study employs the multilevel fast multipole method (MLFMM) from a commercial electromagnetic tool, FEKO, to model the fairing electromagnetic environment in the presence of an internal transmitter with improved accuracy over industry applied techniques. This fairing model includes material properties representative of acoustic blanketing commonly used in vehicles. Equivalent surface material models within FEKO were successfully applied to simulate the test case. Finally, a simplified model is presented using Nicholson Ross Weir derived blanket material properties. These properties are implemented with the coated metal option to reduce the model to one layer within the accuracy of the original three layer simulation.

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

PubMed Central

2015-01-01

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

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

DOE PAGES

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

2012-03-26

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

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

NASA Technical Reports Server (NTRS)

Shebalin, John V.

2003-01-01

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

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.

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.

Polling-Based High-Bit-Rate Packet Transfer in a Microcellular Network to Allow Fast Terminals

NASA Astrophysics Data System (ADS)

Hoa, Phan Thanh; Lambertsen, Gaute; Yamada, Takahiko

A microcellular network will be a good candidate for the future broadband mobile network. It is expected to support high-bit-rate connection for many fast mobile users if the handover is processed fast enough to lessen its impact on QoS requirements. One of the promising techniques is believed to use for the wireless interface in such a microcellular network is the WLAN (Wireless LAN) technique due to its very high wireless channel rate. However, the less capability of mobility support of this technique must be improved to be able to expand its utilization for the microcellular environment. The reason of its less support mobility is large handover latency delay caused by contention-based handover to the new BS (base station) and delay of re-forwarding data from the old to new BS. This paper presents a proposal of multi-polling and dynamic LMC (Logical Macro Cell) to reduce mentioned above delays. Polling frame for an MT (Mobile Terminal) is sent from every BS belonging to the same LMC — a virtual single macro cell that is a multicast group of several adjacent micro-cells in which an MT is communicating. Instead of contending for the medium of a new BS during handover, the MT responds to the polling sent from that new BS to enable the transition. Because only one BS of the LMC receives the polling ACK (acknowledgement) directly from the MT, this ACK frame has to be multicast to all BSs of the same LMC through the terrestrial network to continue sending the next polling cycle at each BS. Moreover, when an MT hands over to a new cell, its current LMC is switched over to a newly corresponding LMC to prevent the future contending for a new LMC. By this way, an MT can do handover between micro-cells of an LMC smoothly because the redundant resource is reserved for it at neighboring cells, no need to contend with others. Our simulation results using the OMNeT++ simulator illustrate the performance achievements of the multi-polling and dynamic LMC scheme in eliminating handover latency, packet loss and keeping mobile users' throughput stable in the high traffic load condition though it causes somewhat overhead on the neighboring cells.

Phenotypic plasticity and climate change: can polar bears respond to longer Arctic summers with an adaptive fast?

PubMed

Whiteman, John P; Harlow, Henry J; Durner, George M; Regehr, Eric V; Amstrup, Steven C; Ben-David, Merav

2018-02-01

Plasticity in the physiological and behavioural responses of animals to prolonged food shortages may determine the persistence of species under climate warming. This is particularly applicable for species that can "adaptively fast" by conserving protein to protect organ function while catabolizing endogenous tissues. Some Ursids, including polar bears (Ursus maritimus), adaptively fast during winter hibernation-and it has been suggested that polar bears also employ this strategy during summer. We captured 57 adult female polar bears in the Southern Beaufort Sea (SBS) during summer 2008 and 2009 and measured blood variables that indicate feeding, regular fasting, and adaptive fasting. We also assessed tissue δ 13 C and δ 15 N to infer diet, and body condition via mass and length. We found that bears on shore maintained lipid and protein stores by scavenging on bowhead whale (Balaena mysticetus) carcasses from human harvest, while those that followed the retreating sea ice beyond the continental shelf were food deprived. They had low ratios of blood urea to creatinine (U:C), normally associated with adaptive fasting. However, they also exhibited low albumin and glucose (indicative of protein loss) and elevated alanine aminotransferase and ghrelin (which fall during adaptive fasting). Thus, the ~ 70% of the SBS subpopulation that spends summer on the ice experiences more of a regular, rather than adaptive, fast. This fast will lengthen as summer ice declines. The resulting protein loss prior to winter could be a mechanism driving the reported correlation between summer ice and polar bear reproduction and survival in the SBS.

Ultra-fast ipsilateral DPOAE adaptation not modulated by attention?

NASA Astrophysics Data System (ADS)

Dalhoff, Ernst; Zelle, Dennis; Gummer, Anthony W.

2018-05-01

Efferent stimulation of outer hair cells is supposed to attenuate cochlear amplification of sound waves and is accompanied by reduced DPOAE amplitudes. Recently, a method using two subsequent f2 pulses during presentation of a longer f1 pulse was introduced to measure fast ipsilateral adaptation effects on separated DPOAE components. Compensating primary-tone onsets for their latencies at the f2-tonotopic place, the average adaptation measured in four normal-hearing subjects was 5.0 dB with a time constant below 5 ms. In the present study, two experiments were performed to determine the origin of this ultra-fast ipsilateral adaptation effect. The first experiment measured ultra-fast ipsilateral adaptation using a two-pulse paradigm at three frequencies in the four subjects, while controlling for visual attention of the subjects. The other experiment also controlled for visual attention, but utilized a sequence of f2 short pulses in the presence of a continuous f1 tone to sample ipsilateral adaptation effects with longer time constants in eight subjects. In the first experiment, no significant change in the ultra-fast adaptation between non-directed attention and visual attention could be detected. In contrast, the second experiment revealed significant changes in the magnitude of the slower ipsilateral adaptation in the visual-attention condition. In conclusion, the lack of an attentional influence indicates that the ultra-fast ipsilateral DPOAE adaptation is not solely mediated by the medial olivocochlear reflex.

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.

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 Hierarchical Algorithm for Fast Debye Summation with Applications to Small Angle Scattering

PubMed Central

Gumerov, Nail A.; Berlin, Konstantin; Fushman, David; Duraiswami, Ramani

2012-01-01

Debye summation, which involves the summation of sinc functions of distances between all pair of atoms in three dimensional space, arises in computations performed in crystallography, small/wide angle X-ray scattering (SAXS/WAXS) and small angle neutron scattering (SANS). Direct evaluation of Debye summation has quadratic complexity, which results in computational bottleneck when determining crystal properties, or running structure refinement protocols that involve SAXS or SANS, even for moderately sized molecules. We present a fast approximation algorithm that efficiently computes the summation to any prescribed accuracy ε in linear time. The algorithm is similar to the fast multipole method (FMM), and is based on a hierarchical spatial decomposition of the molecule coupled with local harmonic expansions and translation of these expansions. An even more efficient implementation is possible when the scattering profile is all that is required, as in small angle scattering reconstruction (SAS) of macromolecules. We examine the relationship of the proposed algorithm to existing approximate methods for profile computations, and show that these methods may result in inaccurate profile computations, unless an error bound derived in this paper is used. Our theoretical and computational results show orders of magnitude improvement in computation complexity over existing methods, while maintaining prescribed accuracy. PMID:22707386

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.

Towards a Coupled Vortex Particle and Acoustic Boundary Element Solver to Predict the Noise Production of Bio-Inspired Propulsion

NASA Astrophysics Data System (ADS)

Wagenhoffer, Nathan; Moored, Keith; Jaworski, Justin

2016-11-01

The design of quiet and efficient bio-inspired propulsive concepts requires a rapid, unified computational framework that integrates the coupled fluid dynamics with the noise generation. Such a framework is developed where the fluid motion is modeled with a two-dimensional unsteady boundary element method that includes a vortex-particle wake. The unsteady surface forces from the potential flow solver are then passed to an acoustic boundary element solver to predict the radiated sound in low-Mach-number flows. The use of the boundary element method for both the hydrodynamic and acoustic solvers permits dramatic computational acceleration by application of the fast multiple method. The reduced order of calculations due to the fast multipole method allows for greater spatial resolution of the vortical wake per unit of computational time. The coupled flow-acoustic solver is validated against canonical vortex-sound problems. The capability of the coupled solver is demonstrated by analyzing the performance and noise production of an isolated bio-inspired swimmer and of tandem swimmers.

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.

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.

Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone.

PubMed

Tsuzuki, Seiji; Uchimaru, Tadafumi; Ono, Taizo

2017-08-30

The origin of the attraction in charge-transfer complexes (a p-hydroquinone-p-benzoquinone complex and benzene complexes with benzoquinone, tetracyanoethylene and Br 2 ) was analyzed using distributed multipole analysis and symmetry-adapted perturbation theory. Both methods show that the dispersion interactions are the primary source of the attraction in these charge-transfer complexes followed by the electrostatic interactions. The natures of the intermolecular interactions in these complexes are close to the π/π interactions of neutral aromatic molecules. The electrostatic interactions play important roles in determining the magnitude of the attraction. The contribution of charge-transfer interactions to the attraction is not large compared with the dispersion interactions in these complexes.

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.

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

NASA Astrophysics Data System (ADS)

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

2004-01-01

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

p21Cip1 plays a critical role in the physiological adaptation to fasting through activation of PPARα.

PubMed

Lopez-Guadamillas, Elena; Fernandez-Marcos, Pablo J; Pantoja, Cristina; Muñoz-Martin, Maribel; Martínez, Dolores; Gómez-López, Gonzalo; Campos-Olivas, Ramón; Valverde, Angela M; Serrano, Manuel

2016-10-10

Fasting is a physiological stress that elicits well-known metabolic adaptations, however, little is known about the role of stress-responsive tumor suppressors in fasting. Here, we have examined the expression of several tumor suppressors upon fasting in mice. Interestingly, p21 mRNA is uniquely induced in all the tissues tested, particularly in liver and muscle (>10 fold), and this upregulation is independent of p53. Remarkably, in contrast to wild-type mice, p21-null mice become severely morbid after prolonged fasting. The defective adaptation to fasting of p21-null mice is associated to elevated energy expenditure, accelerated depletion of fat stores, and premature activation of protein catabolism in the muscle. Analysis of the liver transcriptome and cell-based assays revealed that the absence of p21 partially impairs the transcriptional program of PPARα, a key regulator of fasting metabolism. Finally, treatment of p21-null mice with a PPARα agonist substantially protects them from their accelerated loss of fat upon fasting. We conclude that p21 plays a relevant role in fasting adaptation through the positive regulation of PPARα.

Efficient Kriging Algorithms

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess

2011-01-01

More efficient versions of an interpolation method, called kriging, have been introduced in order to reduce its traditionally high computational cost. Written in C++, these approaches were tested on both synthetic and real data. Kriging is a best unbiased linear estimator and suitable for interpolation of scattered data points. Kriging has long been used in the geostatistic and mining communities, but is now being researched for use in the image fusion of remotely sensed data. This allows a combination of data from various locations to be used to fill in any missing data from any single location. To arrive at the faster algorithms, sparse SYMMLQ iterative solver, covariance tapering, Fast Multipole Methods (FMM), and nearest neighbor searching techniques were used. These implementations were used when the coefficient matrix in the linear system is symmetric, but not necessarily positive-definite.

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.

A shared resource between declarative memory and motor memory.

PubMed

Keisler, Aysha; Shadmehr, Reza

2010-11-03

The neural systems that support motor adaptation in humans are thought to be distinct from those that support the declarative system. Yet, during motor adaptation changes in motor commands are supported by a fast adaptive process that has important properties (rapid learning, fast decay) that are usually associated with the declarative system. The fast process can be contrasted to a slow adaptive process that also supports motor memory, but learns gradually and shows resistance to forgetting. Here we show that after people stop performing a motor task, the fast motor memory can be disrupted by a task that engages declarative memory, but the slow motor memory is immune from this interference. Furthermore, we find that the fast/declarative component plays a major role in the consolidation of the slow motor memory. Because of the competitive nature of declarative and nondeclarative memory during consolidation, impairment of the fast/declarative component leads to improvements in the slow/nondeclarative component. Therefore, the fast process that supports formation of motor memory is not only neurally distinct from the slow process, but it shares critical resources with the declarative memory system.

A shared resource between declarative memory and motor memory

PubMed Central

Keisler, Aysha; Shadmehr, Reza

2010-01-01

The neural systems that support motor adaptation in humans are thought to be distinct from those that support the declarative system. Yet, during motor adaptation changes in motor commands are supported by a fast adaptive process that has important properties (rapid learning, fast decay) that are usually associated with the declarative system. The fast process can be contrasted to a slow adaptive process that also supports motor memory, but learns gradually and shows resistance to forgetting. Here we show that after people stop performing a motor task, the fast motor memory can be disrupted by a task that engages declarative memory, but the slow motor memory is immune from this interference. Furthermore, we find that the fast/declarative component plays a major role in the consolidation of the slow motor memory. Because of the competitive nature of declarative and non-declarative memory during consolidation, impairment of the fast/declarative component leads to improvements in the slow/non-declarative component. Therefore, the fast process that supports formation of motor memory is not only neurally distinct from the slow process, but it shares critical resources with the declarative memory system. PMID:21048140

Adaptive-gain fast super-twisting sliding mode fault tolerant control for a reusable launch vehicle in reentry phase.

PubMed

Zhang, Yao; Tang, Shengjing; Guo, Jie

2017-11-01

In this paper, a novel adaptive-gain fast super-twisting (AGFST) sliding mode attitude control synthesis is carried out for a reusable launch vehicle subject to actuator faults and unknown disturbances. According to the fast nonsingular terminal sliding mode surface (FNTSMS) and adaptive-gain fast super-twisting algorithm, an adaptive fault tolerant control law for the attitude stabilization is derived to protect against the actuator faults and unknown uncertainties. Firstly, a second-order nonlinear control-oriented model for the RLV is established by feedback linearization method. And on the basis a fast nonsingular terminal sliding mode (FNTSM) manifold is designed, which provides fast finite-time global convergence and avoids singularity problem as well as chattering phenomenon. Based on the merits of the standard super-twisting (ST) algorithm and fast reaching law with adaption, a novel adaptive-gain fast super-twisting (AGFST) algorithm is proposed for the finite-time fault tolerant attitude control problem of the RLV without any knowledge of the bounds of uncertainties and actuator faults. The important feature of the AGFST algorithm includes non-overestimating the values of the control gains and faster convergence speed than the standard ST algorithm. A formal proof of the finite-time stability of the closed-loop system is derived using the Lyapunov function technique. An estimation of the convergence time and accurate expression of convergence region are also provided. Finally, simulations are presented to illustrate the effectiveness and superiority of the proposed control scheme. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Fast Solvers for Moving Material Interfaces

DTIC Science & Technology

2008-01-01

interface method—with the semi-Lagrangian contouring method developed in References [16–20]. We are now finalizing portable C / C ++ codes for fast adaptive ...stepping scheme couples a CIR predictor with a trapezoidal corrector using the velocity evaluated from the CIR approximation. It combines the...formula with efficient geometric algorithms and fast accurate contouring techniques. A modular adaptive implementation with fast new geometry modules

Prediction of conformationally dependent atomic multipole moments in carbohydrates

PubMed Central

Cardamone, Salvatore

2015-01-01

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

Prediction of conformationally dependent atomic multipole moments in carbohydrates.

PubMed

Cardamone, Salvatore; Popelier, Paul L A

2015-12-15

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

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

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

ERIC Educational Resources Information Center

Camparo, James; Camparo, Lorinda B.

2013-01-01

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

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

PubMed

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

2016-12-13

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

Multipolar electrostatics.

PubMed

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

2014-06-14

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

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

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

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

1990-01-01

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

Fast Particle Methods for Multiscale Phenomena Simulations

NASA Technical Reports Server (NTRS)

Koumoutsakos, P.; Wray, A.; Shariff, K.; Pohorille, Andrew

2000-01-01

We are developing particle methods oriented at improving computational modeling capabilities of multiscale physical phenomena in : (i) high Reynolds number unsteady vortical flows, (ii) particle laden and interfacial flows, (iii)molecular dynamics studies of nanoscale droplets and studies of the structure, functions, and evolution of the earliest living cell. The unifying computational approach involves particle methods implemented in parallel computer architectures. The inherent adaptivity, robustness and efficiency of particle methods makes them a multidisciplinary computational tool capable of bridging the gap of micro-scale and continuum flow simulations. Using efficient tree data structures, multipole expansion algorithms, and improved particle-grid interpolation, particle methods allow for simulations using millions of computational elements, making possible the resolution of a wide range of length and time scales of these important physical phenomena.The current challenges in these simulations are in : [i] the proper formulation of particle methods in the molecular and continuous level for the discretization of the governing equations [ii] the resolution of the wide range of time and length scales governing the phenomena under investigation. [iii] the minimization of numerical artifacts that may interfere with the physics of the systems under consideration. [iv] the parallelization of processes such as tree traversal and grid-particle interpolations We are conducting simulations using vortex methods, molecular dynamics and smooth particle hydrodynamics, exploiting their unifying concepts such as : the solution of the N-body problem in parallel computers, highly accurate particle-particle and grid-particle interpolations, parallel FFT's and the formulation of processes such as diffusion in the context of particle methods. This approach enables us to transcend among seemingly unrelated areas of research.

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 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;

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.

Novel Fast Adapting Interneurons Mediate Cholinergic-Induced Fast GABAA IPSCs In Striatal Spiny Neurons

PubMed Central

Faust, Thomas W.; Assous, Maxime; Shah, Fulva; Tepper, James M.; Koós, Tibor

2015-01-01

Previous work suggests that neostriatal cholinergic interneurons control the activity of several classes of GABAergic interneurons through fast nicotinic receptor mediated synaptic inputs. Although indirect evidence has suggested the existence of several classes of interneurons controlled by this mechanism only one such cell type, the neuropeptide-Y expressing neurogliaform neuron, has been identified to date. Here we tested the hypothesis that in addition to the neurogliaform neurons that elicit slow GABAergic inhibitory responses, another interneuron type exists in the striatum that receives strong nicotinic cholinergic input and elicits conventional fast GABAergic synaptic responses in projection neurons. We obtained in vitro slice recordings from double transgenic mice in which Channelrhodopsin-2 was natively expressed in cholinergic neurons and a population of serotonin receptor-3a-Cre expressing GABAergic interneurons were visualized with tdTomato. We show that among the targeted GABAergic interneurons a novel type of interneuron, termed the fast-adapting interneuron, can be identified that is distinct from previously known interneurons based on immunocytochemical and electrophysiological criteria. We show using optogenetic activation of cholinergic inputs that fast-adapting interneurons receive a powerful supra-threshold nicotinic cholinergic input in vitro. Moreover, fast adapting neurons are densely connected to projection neurons and elicit fast, GABAA receptor mediated inhibitory postsynaptic responses. The nicotinic receptor mediated activation of fast-adapting interneurons may constitute an important mechanism through which cholinergic interneurons control the activity of projection neurons and perhaps the plasticity of their synaptic inputs when animals encounter reinforcing or otherwise salient stimuli. PMID:25865337

Influence of permittivity on gradient force exerted on Mie spheres.

PubMed

Chen, Jun; Li, Kaikai; Li, Xiao

2018-04-01

In optical trapping, whether a particle could be stably trapped into the focus region greatly depends on the strength of the gradient force. Individual theoretical study on gradient force exerted on a Mie particle is rare because the mathematical separation of the gradient force and the scattering force in the Mie regime is difficult. Based on the recent forces separation work by Du et al. [Sci. Rep.7, 18042 (2017)SRCEC32045-232210.1038/s41598-017-17874-1], we investigate the influence of permittivity (an important macroscopic physical quantity) on the gradient force exerted on a Mie particle by cooperating numerical calculation using fast Fourier transform and analytical analysis using multipole expansion. It is revealed that gradient forces exerted on small spheres are mainly determined by the electric dipole moment except for certain permittivity with which the real part of polarizability of the electric dipole approaches zero, and gradient forces exerted on larger spheres are complex because of the superposition of the multipole moments. The classification of permittivity corresponding to different varying tendencies of gradient forces exerted on small spheres or larger Mie particles are illustrated. Absorption of particles favors the trapping of small spheres by gradient force, while it is bad for the trapping of larger particles. Moreover, the absolute values of the maximal gradient forces exerted on larger Mie particles decline greatly versus the varied imaginary part of permittivity. This work provides elaborate investigation on the different varying tendencies of gradient forces versus permittivity, which favors more accurate and free optical trapping.

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.

Scattering properties of electromagnetic waves from metal object in the lower terahertz region

NASA Astrophysics Data System (ADS)

Chen, Gang; Dang, H. X.; Hu, T. Y.; Su, Xiang; Lv, R. C.; Li, Hao; Tan, X. M.; Cui, T. J.

2018-01-01

An efficient hybrid algorithm is proposed to analyze the electromagnetic scattering properties of metal objects in the lower terahertz (THz) frequency. The metal object can be viewed as perfectly electrical conducting object with a slightly rough surface in the lower THz region. Hence the THz scattered field from metal object can be divided into coherent and incoherent parts. The physical optics and truncated-wedge incremental-length diffraction coefficients methods are combined to compute the coherent part; while the small perturbation method is used for the incoherent part. With the MonteCarlo method, the radar cross section of the rough metal surface is computed by the multilevel fast multipole algorithm and the proposed hybrid algorithm, respectively. The numerical results show that the proposed algorithm has good accuracy to simulate the scattering properties rapidly in the lower THz region.

Boundary integral equation analysis for suspension of spheres in Stokes flow

NASA Astrophysics Data System (ADS)

Corona, Eduardo; Veerapaneni, Shravan

2018-06-01

We show that the standard boundary integral operators, defined on the unit sphere, for the Stokes equations diagonalize on a specific set of vector spherical harmonics and provide formulas for their spectra. We also derive analytical expressions for evaluating the operators away from the boundary. When two particle are located close to each other, we use a truncated series expansion to compute the hydrodynamic interaction. On the other hand, we use the standard spectrally accurate quadrature scheme to evaluate smooth integrals on the far-field, and accelerate the resulting discrete sums using the fast multipole method (FMM). We employ this discretization scheme to analyze several boundary integral formulations of interest including those arising in porous media flow, active matter and magneto-hydrodynamics of rigid particles. We provide numerical results verifying the accuracy and scaling of their evaluation.

MLFMA-accelerated Nyström method for ultrasonic scattering - Numerical results and experimental validation

NASA Astrophysics Data System (ADS)

Gurrala, Praveen; Downs, Andrew; Chen, Kun; Song, Jiming; Roberts, Ron

2018-04-01

Full wave scattering models for ultrasonic waves are necessary for the accurate prediction of voltage signals received from complex defects/flaws in practical nondestructive evaluation (NDE) measurements. We propose the high-order Nyström method accelerated by the multilevel fast multipole algorithm (MLFMA) as an improvement to the state-of-the-art full-wave scattering models that are based on boundary integral equations. We present numerical results demonstrating improvements in simulation time and memory requirement. Particularly, we demonstrate the need for higher order geom-etry and field approximation in modeling NDE measurements. Also, we illustrate the importance of full-wave scattering models using experimental pulse-echo data from a spherical inclusion in a solid, which cannot be modeled accurately by approximation-based scattering models such as the Kirchhoff approximation.

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.

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.

A study of adaptation mechanisms based on ABR recorded at high stimulation rate.

PubMed

Valderrama, Joaquin T; de la Torre, Angel; Alvarez, Isaac; Segura, Jose Carlos; Thornton, A Roger D; Sainz, Manuel; Vargas, Jose Luis

2014-04-01

This paper analyzes the fast and slow mechanisms of adaptation through a study of latencies and amplitudes on ABR recorded at high stimulation rates using the randomized stimulation and averaging (RSA) technique. The RSA technique allows a separate processing of auditory responses, and is used, in this study, to categorize responses according to the interstimulus interval (ISI) of their preceding stimulus. The fast and slow mechanisms of adaptation are analyzed by the separated responses methodology, whose underlying principles and mathematical basis are described in detail. The morphology of the ABR is influenced by both fast and slow mechanisms of adaptation. These results are consistent with previous animal studies based on spike rate. Both fast and slow mechanisms of adaptation are present in all subjects. In addition, the distribution of the jitter and the sequencing of the stimuli may be critical parameters when obtaining reliable ABRs. The separated responses methodology enables for the first time the analysis of the fast and slow mechanisms of adaptation in ABR obtained at stimulation rates greater than 100 Hz. The non-invasive nature of this methodology is appropriate for its use in humans. Copyright © 2013 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

Numerical Solution of Dyson Brownian Motion and a Sampling Scheme for Invariant Matrix Ensembles

NASA Astrophysics Data System (ADS)

Li, Xingjie Helen; Menon, Govind

2013-12-01

The Dyson Brownian Motion (DBM) describes the stochastic evolution of N points on the line driven by an applied potential, a Coulombic repulsion and identical, independent Brownian forcing at each point. We use an explicit tamed Euler scheme to numerically solve the Dyson Brownian motion and sample the equilibrium measure for non-quadratic potentials. The Coulomb repulsion is too singular for the SDE to satisfy the hypotheses of rigorous convergence proofs for tamed Euler schemes (Hutzenthaler et al. in Ann. Appl. Probab. 22(4):1611-1641, 2012). Nevertheless, in practice the scheme is observed to be stable for time steps of O(1/ N 2) and to relax exponentially fast to the equilibrium measure with a rate constant of O(1) independent of N. Further, this convergence rate appears to improve with N in accordance with O(1/ N) relaxation of local statistics of the Dyson Brownian motion. This allows us to use the Dyson Brownian motion to sample N× N Hermitian matrices from the invariant ensembles. The computational cost of generating M independent samples is O( MN 4) with a naive scheme, and O( MN 3log N) when a fast multipole method is used to evaluate the Coulomb interaction.

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.

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

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).

Adaptive Control for Uncertain Nonlinear Multi-Input Multi-Output Systems

NASA Technical Reports Server (NTRS)

Cao, Chengyu (Inventor); Hovakimyan, Naira (Inventor); Xargay, Enric (Inventor)

2014-01-01

Systems and methods of adaptive control for uncertain nonlinear multi-input multi-output systems in the presence of significant unmatched uncertainty with assured performance are provided. The need for gain-scheduling is eliminated through the use of bandwidth-limited (low-pass) filtering in the control channel, which appropriately attenuates the high frequencies typically appearing in fast adaptation situations and preserves the robustness margins in the presence of fast adaptation.

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

Metabolic adaptation to intermittent fasting is independent of peroxisome proliferator-activated receptor alpha.

PubMed

Li, Guolin; Brocker, Chad N; Yan, Tingting; Xie, Cen; Krausz, Kristopher W; Xiang, Rong; Gonzalez, Frank J

2018-01-01

Peroxisome proliferator-activated receptor alpha (PPARA) is a major regulator of fatty acid oxidation and severe hepatic steatosis occurs during acute fasting in Ppara-null mice. Thus, PPARA is considered an important mediator of the fasting response; however, its role in other fasting regiments such as every-other-day fasting (EODF) has not been investigated. Mice were pre-conditioned using either a diet containing the potent PPARA agonist Wy-14643 or an EODF regimen prior to acute fasting. Ppara-null mice were used to assess the contribution of PPARA activation during the metabolic response to EODF. Livers were collected for histological, biochemical, qRT-PCR, and Western blot analysis. Acute fasting activated PPARA and led to steatosis, whereas EODF protected against fasting-induced hepatic steatosis without affecting PPARA signaling. In contrast, pretreatment with Wy-14,643 did activate PPARA signaling but did not ameliorate acute fasting-induced steatosis and unexpectedly promoted liver injury. Ppara ablation exacerbated acute fasting-induced hypoglycemia, hepatic steatosis, and liver injury in mice, whereas these detrimental effects were absent in response to EODF, which promoted PPARA-independent fatty acid metabolism and normalized serum lipids. These findings indicate that PPARA activation prior to acute fasting cannot ameliorate fasting-induced hepatic steatosis, whereas EODF induced metabolic adaptations to protect against fasting-induced steatosis without altering PPARA signaling. Therefore, PPARA activation does not mediate the metabolic adaptation to fasting, at least in preventing acute fasting-induced steatosis. Published by Elsevier GmbH.

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.

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

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.

Temporal partitioning of adaptive responses of the murine heart to fasting.

PubMed

Brewer, Rachel A; Collins, Helen E; Berry, Ryan D; Brahma, Manoja K; Tirado, Brian A; Peliciari-Garcia, Rodrigo A; Stanley, Haley L; Wende, Adam R; Taegtmeyer, Heinrich; Rajasekaran, Namakkal Soorappan; Darley-Usmar, Victor; Zhang, Jianhua; Frank, Stuart J; Chatham, John C; Young, Martin E

2018-03-15

Recent studies suggest that the time of day at which food is consumed dramatically influences clinically-relevant cardiometabolic parameters (e.g., adiposity, insulin sensitivity, and cardiac function). Meal feeding benefits may be the result of daily periods of feeding and/or fasting, highlighting the need for improved understanding of the temporal adaptation of cardiometabolic tissues (e.g., heart) to fasting. Such studies may provide mechanistic insight regarding how time-of-day-dependent feeding/fasting cycles influence cardiac function. We hypothesized that fasting during the sleep period elicits beneficial adaptation of the heart at transcriptional, translational, and metabolic levels. To test this hypothesis, temporal adaptation was investigated in wild-type mice fasted for 24-h, or for either the 12-h light/sleep phase or the 12-h dark/awake phase. Fasting maximally induced fatty acid responsive genes (e.g., Pdk4) during the dark/active phase; transcriptional changes were mirrored at translational (e.g., PDK4) and metabolic flux (e.g., glucose/oleate oxidation) levels. Similarly, maximal repression of myocardial p-mTOR and protein synthesis rates occurred during the dark phase; both parameters remained elevated in the heart of fasted mice during the light phase. In contrast, markers of autophagy (e.g., LC3II) exhibited peak responses to fasting during the light phase. Collectively, these data show that responsiveness of the heart to fasting is temporally partitioned. Autophagy peaks during the light/sleep phase, while repression of glucose utilization and protein synthesis is maximized during the dark/active phase. We speculate that sleep phase fasting may benefit cardiac function through augmentation of protein/cellular constituent turnover. Copyright © 2018 Elsevier Inc. All rights reserved.

Effects of fasted vs fed-state exercise on performance and post-exercise metabolism: A systematic review and meta-analysis.

PubMed

Aird, T P; Davies, R W; Carson, B P

2018-05-01

The effects of nutrition on exercise metabolism and performance remain an important topic among sports scientists, clinical, and athletic populations. Recently, fasted exercise has garnered interest as a beneficial stimulus which induces superior metabolic adaptations to fed exercise in key peripheral tissues. Conversely, pre-exercise feeding augments exercise performance compared with fasting conditions. Given these seemingly divergent effects on performance and metabolism, an appraisal of the literature is warranted. This review determined the effects of fasting vs pre-exercise feeding on continuous aerobic and anaerobic or intermittent exercise performance, and post-exercise metabolic adaptations. A search was performed using the MEDLINE and PubMed search engines. The literature search identified 46 studies meeting the relevant inclusion criteria. The Delphi list was used to assess study quality. A meta-analysis and meta-regression were performed where appropriate. Findings indicated that pre-exercise feeding enhanced prolonged (P = .012), but not shorter duration aerobic exercise performance (P = .687). Fasted exercise increased post-exercise circulating FFAs (P = .023) compared to fed exercise. It is evidenced that pre-exercise feeding blunted signaling in skeletal muscle and adipose tissue implicated in regulating components of metabolism, including mitochondrial adaptation and substrate utilization. This review's findings support the hypothesis that the fasted and fed conditions can divergently influence exercise metabolism and performance. Pre-exercise feeding bolsters prolonged aerobic performance, while seminal evidence highlights potential beneficial metabolic adaptations that fasted exercise may induce in peripheral tissues. However, further research is required to fully elucidate the acute and chronic physiological adaptations to fasted vs fed exercise. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Aerodynamic generation of electric fields in turbulence laden with charged inertial particles.

PubMed

Di Renzo, M; Urzay, J

2018-04-26

Self-induced electricity, including lightning, is often observed in dusty atmospheres. However, the physical mechanisms leading to this phenomenon remain elusive as they are remarkably challenging to determine due to the high complexity of the multi-phase turbulent flows involved. Using a fast multi-pole method in direct numerical simulations of homogeneous turbulence laden with hundreds of millions of inertial particles, here we show that mesoscopic electric fields can be aerodynamically created in bi-disperse suspensions of oppositely charged particles. The generation mechanism is self-regulating and relies on turbulence preferentially concentrating particles of one sign in clouds while dispersing the others more uniformly. The resulting electric field varies over much larger length scales than both the mean inter-particle spacing and the size of the smallest eddies. Scaling analyses suggest that low ambient pressures, such as those prevailing in the atmosphere of Mars, increase the dynamical relevance of this aerodynamic mechanism for electrical breakdown.

Speed-up of the volumetric method of moments for the approximate RCS of large arbitrary-shaped dielectric targets

NASA Astrophysics Data System (ADS)

Moreno, Javier; Somolinos, Álvaro; Romero, Gustavo; González, Iván; Cátedra, Felipe

2017-08-01

A method for the rigorous computation of the electromagnetic scattering of large dielectric volumes is presented. One goal is to simplify the analysis of large dielectric targets with translational symmetries taken advantage of their Toeplitz symmetry. Then, the matrix-fill stage of the Method of Moments is efficiently obtained because the number of coupling terms to compute is reduced. The Multilevel Fast Multipole Method is applied to solve the problem. Structured meshes are obtained efficiently to approximate the dielectric volumes. The regular mesh grid is achieved by using parallelepipeds whose centres have been identified as internal to the target. The ray casting algorithm is used to classify the parallelepiped centres. It may become a bottleneck when too many points are evaluated in volumes defined by parametric surfaces, so a hierarchical algorithm is proposed to minimize the number of evaluations. Measurements and analytical results are included for validation purposes.

An integral equation formulation for rigid bodies in Stokes flow in three dimensions

NASA Astrophysics Data System (ADS)

Corona, Eduardo; Greengard, Leslie; Rachh, Manas; Veerapaneni, Shravan

2017-03-01

We present a new derivation of a boundary integral equation (BIE) for simulating the three-dimensional dynamics of arbitrarily-shaped rigid particles of genus zero immersed in a Stokes fluid, on which are prescribed forces and torques. Our method is based on a single-layer representation and leads to a simple second-kind integral equation. It avoids the use of auxiliary sources within each particle that play a role in some classical formulations. We use a spectrally accurate quadrature scheme to evaluate the corresponding layer potentials, so that only a small number of spatial discretization points per particle are required. The resulting discrete sums are computed in O (n) time, where n denotes the number of particles, using the fast multipole method (FMM). The particle positions and orientations are updated by a high-order time-stepping scheme. We illustrate the accuracy, conditioning and scaling of our solvers with several numerical examples.

SWIFT: SPH With Inter-dependent Fine-grained Tasking

NASA Astrophysics Data System (ADS)

Schaller, Matthieu; Gonnet, Pedro; Chalk, Aidan B. G.; Draper, Peter W.

2018-05-01

SWIFT runs cosmological simulations on peta-scale machines for solving gravity and SPH. It uses the Fast Multipole Method (FMM) to calculate gravitational forces between nearby particles, combining these with long-range forces provided by a mesh that captures both the periodic nature of the calculation and the expansion of the simulated universe. SWIFT currently uses a single fixed but time-variable softening length for all the particles. Many useful external potentials are also available, such as galaxy haloes or stratified boxes that are used in idealised problems. SWIFT implements a standard LCDM cosmology background expansion and solves the equations in a comoving frame; equations of state of dark-energy evolve with scale-factor. The structure of the code allows implementation for modified-gravity solvers or self-interacting dark matter schemes to be implemented. Many hydrodynamics schemes are implemented in SWIFT and the software allows users to add their own.

Low-memory iterative density fitting.

PubMed

Grajciar, Lukáš

2015-07-30

A new low-memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix-vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15-fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12-core CPU workstation. © 2015 Wiley Periodicals, Inc.

NSLS-II BPM System Protection from Rogue Mode Coupling

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

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

2011-03-28

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

The multipole resonance probe: characterization of a prototype

NASA Astrophysics Data System (ADS)

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

2011-08-01

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

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

PubMed

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

2008-09-09

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

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

NASA Astrophysics Data System (ADS)

Sagui, Celeste

2006-03-01

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

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

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

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

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

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

Flight Research into Simple Adaptive Control on the NASA FAST Aircraft

NASA Technical Reports Server (NTRS)

Hanson, Curtis E.

2011-01-01

A series of simple adaptive controllers with varying levels of complexity were designed, implemented and flight tested on the NASA Full-Scale Advanced Systems Testbed (FAST) aircraft. Lessons learned from the development and flight testing are presented.

Fast but fleeting: adaptive motor learning processes associated with aging and cognitive decline.

PubMed

Trewartha, Kevin M; Garcia, Angeles; Wolpert, Daniel M; Flanagan, J Randall

2014-10-01

Motor learning has been shown to depend on multiple interacting learning processes. For example, learning to adapt when moving grasped objects with novel dynamics involves a fast process that adapts and decays quickly-and that has been linked to explicit memory-and a slower process that adapts and decays more gradually. Each process is characterized by a learning rate that controls how strongly motor memory is updated based on experienced errors and a retention factor determining the movement-to-movement decay in motor memory. Here we examined whether fast and slow motor learning processes involved in learning novel dynamics differ between younger and older adults. In addition, we investigated how age-related decline in explicit memory performance influences learning and retention parameters. Although the groups adapted equally well, they did so with markedly different underlying processes. Whereas the groups had similar fast processes, they had different slow processes. Specifically, the older adults exhibited decreased retention in their slow process compared with younger adults. Within the older group, who exhibited considerable variation in explicit memory performance, we found that poor explicit memory was associated with reduced retention in the fast process, as well as the slow process. These findings suggest that explicit memory resources are a determining factor in impairments in the both the fast and slow processes for motor learning but that aging effects on the slow process are independent of explicit memory declines. Copyright © 2014 the authors 0270-6474/14/3413411-11$15.00/0.

A Comparison of Cosmological Parameters Determined from CMB Temperature Power Spectra from the South Pole Telescope and the Planck Satellite

DOE PAGES

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

2017-11-20

The Planck cosmic microwave background temperature data are best fit with a ΛCDM model that mildly contradicts constraints from other cosmological probes. The South Pole Telescope (SPT) 2540more » $${\\deg }^{2}$$ SPT-SZ survey offers measurements on sub-degree angular scales (multipoles $$650\\leqslant {\\ell }\\leqslant 2500$$) 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 ΛCDM parameter estimates using the temperature power spectrum from both data sets in the SPT-SZ survey region. We also restrict the multipole 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 ΛCDM or systematic errors influencing either the Planck data outside the SPT-SZ survey area or the SPT data at $${\\ell }\\gt 2000$$.« less

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 ΛCDM model that mildly contradicts constraints from other cosmological probes. The South Pole Telescope (SPT) 2540more » $${\\deg }^{2}$$ SPT-SZ survey offers measurements on sub-degree angular scales (multipoles $$650\\leqslant {\\ell }\\leqslant 2500$$) 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 ΛCDM parameter estimates using the temperature power spectrum from both data sets in the SPT-SZ survey region. We also restrict the multipole 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 ΛCDM or systematic errors influencing either the Planck data outside the SPT-SZ survey area or the SPT data at $${\\ell }\\gt 2000$$.« less

A Comparison of Cosmological Parameters Determined from CMB Temperature Power Spectra from the South Pole Telescope and the Planck Satellite

NASA Astrophysics Data System (ADS)

Aylor, K.; Hou, Z.; Knox, L.; Story, K. T.; Benson, B. A.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Cho, H.-M.; Chown, R.; Crawford, T. M.; Crites, A. T.; de Haan, T.; Dobbs, M. A.; Everett, W. B.; George, E. M.; Halverson, N. W.; Harrington, N. L.; Holder, G. P.; Holzapfel, W. L.; Hrubes, J. D.; Keisler, R.; Lee, A. T.; Leitch, E. M.; Luong-Van, D.; Marrone, D. P.; McMahon, J. J.; Meyer, S. S.; Millea, M.; Mocanu, L. M.; Mohr, J. J.; Natoli, T.; Omori, Y.; Padin, S.; Pryke, C.; Reichardt, C. L.; Ruhl, J. E.; Sayre, J. T.; Schaffer, K. K.; Shirokoff, E.; Staniszewski, Z.; Stark, A. A.; Vanderlinde, K.; Vieira, J. D.; Williamson, R.

2017-11-01

The Planck cosmic microwave background temperature data are best fit with a ΛCDM 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≤slant {\\ell }≤slant 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 ΛCDM parameter estimates using the temperature power spectrum from both data sets in the SPT-SZ survey region. We also restrict the multipole 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}-2τ . 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 ΛCDM or systematic errors influencing either the Planck data outside the SPT-SZ survey area or the SPT data at {\\ell }> 2000.

Adaptive multiple super fast simulated annealing for stochastic microstructure reconstruction

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

Ryu, Seun; Lin, Guang; Sun, Xin

2013-01-01

Fast image reconstruction from statistical information is critical in image fusion from multimodality chemical imaging instrumentation to create high resolution image with large domain. Stochastic methods have been used widely in image reconstruction from two point correlation function. The main challenge is to increase the efficiency of reconstruction. A novel simulated annealing method is proposed for fast solution of image reconstruction. Combining the advantage of very fast cooling schedules, dynamic adaption and parallelization, the new simulation annealing algorithm increases the efficiencies by several orders of magnitude, making the large domain image fusion feasible.

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.

Method of reducing multipole content in a conductor assembly during manufacture

DOEpatents

Meinke, Rainer [Melbourne, FL

2011-08-09

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

The evens and odds of CMB anomalies

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

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

NASA Astrophysics Data System (ADS)

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

2011-07-01

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

Method of reducing multipole content in a conductor assembly during manufacture

DOEpatents

Meinke, Rainer

2013-08-20

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

Multipole mixing ratios and substate populations in Rn-219

NASA Astrophysics Data System (ADS)

Jones, G. D.

2016-08-01

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

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

PubMed

Lee, Jhinhwan

2017-08-01

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

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

NASA Technical Reports Server (NTRS)

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

Characterization of the International Linear Collider damping ring optics

NASA Astrophysics Data System (ADS)

Shanks, J.; Rubin, D. L.; Sagan, D.

2014-10-01

A method is presented for characterizing the emittance dilution and dynamic aperture for an arbitrary closed lattice that includes guide field magnet errors, multipole errors and misalignments. This method, developed and tested at the Cornell Electron Storage Ring Test Accelerator (CesrTA), has been applied to the damping ring lattice for the International Linear Collider (ILC). The effectiveness of beam based emittance tuning is limited by beam position monitor (BPM) measurement errors, number of corrector magnets and their placement, and correction algorithm. The specifications for damping ring magnet alignment, multipole errors, number of BPMs, and precision in BPM measurements are shown to be consistent with the required emittances and dynamic aperture. The methodology is then used to determine the minimum number of position monitors that is required to achieve the emittance targets, and how that minimum depends on the location of the BPMs. Similarly, the maximum tolerable multipole errors are evaluated. Finally, the robustness of each BPM configuration with respect to random failures is explored.

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).

Kruppel-like factor 15 is required for the cardiac adaptive response to fasting.

PubMed

Sugi, Keiki; Hsieh, Paishiun N; Ilkayeva, Olga; Shelkay, Shamanthika; Moroney, Bridget; Baadh, Palvir; Haynes, Browning; Pophal, Megan; Fan, Liyan; Newgard, Christopher B; Prosdocimo, Domenick A; Jain, Mukesh K

2018-01-01

Cardiac metabolism is highly adaptive in response to changes in substrate availability, as occur during fasting. This metabolic flexibility is essential to the maintenance of contractile function and is under the control of a group of select transcriptional regulators, notably the nuclear receptor family of factors member PPARα. However, the diversity of physiologic and pathologic states through which the heart must sustain function suggests the possible existence of additional transcriptional regulators that play a role in matching cardiac metabolism to energetic demand. Here we show that cardiac KLF15 is required for the normal cardiac response to fasting. Specifically, we find that cardiac function is impaired upon fasting in systemic and cardiac specific Klf15-null mice. Further, cardiac specific Klf15-null mice display a fasting-dependent accumulation of long chain acylcarnitine species along with a decrease in expression of the carnitine translocase Slc25a20. Treatment with a diet high in short chain fatty acids relieves the KLF15-dependent long chain acylcarnitine accumulation and impaired cardiac function in response to fasting. Our observations establish KLF15 as a critical mediator of the cardiac adaptive response to fasting through its regulation of myocardial lipid utilization.

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

NASA Astrophysics Data System (ADS)

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

1990-04-01

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

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

NASA Astrophysics Data System (ADS)

Romero, Angel H.

2017-10-01

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

Fast adaptive composite grid methods on distributed parallel architectures

NASA Technical Reports Server (NTRS)

Lemke, Max; Quinlan, Daniel

1992-01-01

The fast adaptive composite (FAC) grid method is compared with the adaptive composite method (AFAC) under variety of conditions including vectorization and parallelization. Results are given for distributed memory multiprocessor architectures (SUPRENUM, Intel iPSC/2 and iPSC/860). It is shown that the good performance of AFAC and its superiority over FAC in a parallel environment is a property of the algorithm and not dependent on peculiarities of any machine.

Adaptive Time Stepping for Transient Network Flow Simulation in Rocket Propulsion Systems

NASA Technical Reports Server (NTRS)

Majumdar, Alok K.; Ravindran, S. S.

2017-01-01

Fluid and thermal transients found in rocket propulsion systems such as propellant feedline system is a complex process involving fast phases followed by slow phases. Therefore their time accurate computation requires use of short time step initially followed by the use of much larger time step. Yet there are instances that involve fast-slow-fast phases. In this paper, we present a feedback control based adaptive time stepping algorithm, and discuss its use in network flow simulation of fluid and thermal transients. The time step is automatically controlled during the simulation by monitoring changes in certain key variables and by feedback. In order to demonstrate the viability of time adaptivity for engineering problems, we applied it to simulate water hammer and cryogenic chill down in pipelines. Our comparison and validation demonstrate the accuracy and efficiency of this adaptive strategy.

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

Two biomechanical strategies for locomotor adaptation to split-belt treadmill walking in subjects with and without transtibial amputation.

PubMed

Selgrade, Brian P; Toney, Megan E; Chang, Young-Hui

2017-02-28

Locomotor adaptation is commonly studied using split-belt treadmill walking, in which each foot is placed on a belt moving at a different speed. As subjects adapt to split-belt walking, they reduce metabolic power, but the biomechanical mechanism behind this improved efficiency is unknown. Analyzing mechanical work performed by the legs and joints during split-belt adaptation could reveal this mechanism. Because ankle work in the step-to-step transition is more efficient than hip work, we hypothesized that control subjects would reduce hip work on the fast belt and increase ankle work during the step-to-step transition as they adapted. We further hypothesized that subjects with unilateral, trans-tibial amputation would instead increase propulsive work from their intact leg on the slow belt. Control subjects reduced hip work and shifted more ankle work to the step-to-step transition, supporting our hypothesis. Contrary to our second hypothesis, intact leg work, ankle work and hip work in amputees were unchanged during adaptation. Furthermore, all subjects increased collisional energy loss on the fast belt, but did not increase propulsive work. This was possible because subjects moved further backward during fast leg single support in late adaptation than in early adaptation, compensating by reducing backward movement in slow leg single support. In summary, subjects used two strategies to improve mechanical efficiency in split-belt walking adaptation: a CoM displacement strategy that allows for less forward propulsion on the fast belt; and, an ankle timing strategy that allows efficient ankle work in the step-to-step transition to increase while reducing inefficient hip work. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dynamic grid refinement for partial differential equations on parallel computers

NASA Technical Reports Server (NTRS)

Mccormick, S.; Quinlan, D.

1989-01-01

The fast adaptive composite grid method (FAC) is an algorithm that uses various levels of uniform grids to provide adaptive resolution and fast solution of PDEs. An asynchronous version of FAC, called AFAC, that completely eliminates the bottleneck to parallelism is presented. This paper describes the advantage that this algorithm has in adaptive refinement for moving singularities on multiprocessor computers. This work is applicable to the parallel solution of two- and three-dimensional shock tracking problems.

Educational Multimedia Profiling Recommendations for Device-Aware Adaptive Mobile Learning

ERIC Educational Resources Information Center

Moldovan, Arghir-Nicolae; Ghergulescu, Ioana; Muntean, Cristina Hava

2014-01-01

Mobile learning is seeing a fast adoption with the increasing availability and affordability of mobile devices such as smartphones and tablets. As the creation and consumption of educational multimedia content on mobile devices is also increasing fast, educators and mobile learning providers are faced with the challenge to adapt multimedia type…

Fasting induces a biphasic adaptive metabolic response in murine small intestine

PubMed Central

Sokolović, Milka; Wehkamp, Diederik; Sokolović, Aleksandar; Vermeulen, Jacqueline; Gilhuijs-Pederson, Lisa A; van Haaften, Rachel IM; Nikolsky, Yuri; Evelo, Chris TA; van Kampen, Antoine HC; Hakvoort, Theodorus BM; Lamers, Wouter H

2007-01-01

Background The gut is a major energy consumer, but a comprehensive overview of the adaptive response to fasting is lacking. Gene-expression profiling, pathway analysis, and immunohistochemistry were therefore carried out on mouse small intestine after 0, 12, 24, and 72 hours of fasting. Results Intestinal weight declined to 50% of control, but this loss of tissue mass was distributed proportionally among the gut's structural components, so that the microarrays' tissue base remained unaffected. Unsupervised hierarchical clustering of the microarrays revealed that the successive time points separated into distinct branches. Pathway analysis depicted a pronounced, but transient early response that peaked at 12 hours, and a late response that became progressively more pronounced with continued fasting. Early changes in gene expression were compatible with a cellular deficiency in glutamine, and metabolic adaptations directed at glutamine conservation, inhibition of pyruvate oxidation, stimulation of glutamate catabolism via aspartate and phosphoenolpyruvate to lactate, and enhanced fatty-acid oxidation and ketone-body synthesis. In addition, the expression of key genes involved in cell cycling and apoptosis was suppressed. At 24 hours of fasting, many of the early adaptive changes abated. Major changes upon continued fasting implied the production of glucose rather than lactate from carbohydrate backbones, a downregulation of fatty-acid oxidation and a very strong downregulation of the electron-transport chain. Cell cycling and apoptosis remained suppressed. Conclusion The changes in gene expression indicate that the small intestine rapidly looses mass during fasting to generate lactate or glucose and ketone bodies. Meanwhile, intestinal architecture is maintained by downregulation of cell turnover. PMID:17925015

Fasting induces a biphasic adaptive metabolic response in murine small intestine.

PubMed

Sokolović, Milka; Wehkamp, Diederik; Sokolović, Aleksandar; Vermeulen, Jacqueline; Gilhuijs-Pederson, Lisa A; van Haaften, Rachel I M; Nikolsky, Yuri; Evelo, Chris T A; van Kampen, Antoine H C; Hakvoort, Theodorus B M; Lamers, Wouter H

2007-10-09

The gut is a major energy consumer, but a comprehensive overview of the adaptive response to fasting is lacking. Gene-expression profiling, pathway analysis, and immunohistochemistry were therefore carried out on mouse small intestine after 0, 12, 24, and 72 hours of fasting. Intestinal weight declined to 50% of control, but this loss of tissue mass was distributed proportionally among the gut's structural components, so that the microarrays' tissue base remained unaffected. Unsupervised hierarchical clustering of the microarrays revealed that the successive time points separated into distinct branches. Pathway analysis depicted a pronounced, but transient early response that peaked at 12 hours, and a late response that became progressively more pronounced with continued fasting. Early changes in gene expression were compatible with a cellular deficiency in glutamine, and metabolic adaptations directed at glutamine conservation, inhibition of pyruvate oxidation, stimulation of glutamate catabolism via aspartate and phosphoenolpyruvate to lactate, and enhanced fatty-acid oxidation and ketone-body synthesis. In addition, the expression of key genes involved in cell cycling and apoptosis was suppressed. At 24 hours of fasting, many of the early adaptive changes abated. Major changes upon continued fasting implied the production of glucose rather than lactate from carbohydrate backbones, a downregulation of fatty-acid oxidation and a very strong downregulation of the electron-transport chain. Cell cycling and apoptosis remained suppressed. The changes in gene expression indicate that the small intestine rapidly looses mass during fasting to generate lactate or glucose and ketone bodies. Meanwhile, intestinal architecture is maintained by downregulation of cell turnover.

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.

Fast digital zooming system using directionally adaptive image interpolation and restoration.

PubMed

Kang, Wonseok; Jeon, Jaehwan; Yu, Soohwan; Paik, Joonki

2014-01-01

This paper presents a fast digital zooming system for mobile consumer cameras using directionally adaptive image interpolation and restoration methods. The proposed interpolation algorithm performs edge refinement along the initially estimated edge orientation using directionally steerable filters. Either the directionally weighted linear or adaptive cubic-spline interpolation filter is then selectively used according to the refined edge orientation for removing jagged artifacts in the slanted edge region. A novel image restoration algorithm is also presented for removing blurring artifacts caused by the linear or cubic-spline interpolation using the directionally adaptive truncated constrained least squares (TCLS) filter. Both proposed steerable filter-based interpolation and the TCLS-based restoration filters have a finite impulse response (FIR) structure for real time processing in an image signal processing (ISP) chain. Experimental results show that the proposed digital zooming system provides high-quality magnified images with FIR filter-based fast computational structure.

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→∞.

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

DOE PAGES

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

2016-08-24

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

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

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

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

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

Multipole and field uniformity tailoring of a 750 MHz rf dipole

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

Delayen, Jean R.; Castillo, Alejandro

2014-12-01

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

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

PubMed Central

Tanimoto, Hirokazu; Sano, Masaki

2014-01-01

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

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

PubMed

Li, Min; Zhang, John Z H

2017-02-14

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

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

NASA Astrophysics Data System (ADS)

Li, Min; Zhang, John Z. H.

2017-02-01

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

Multipole expansions and Fock symmetry of the hydrogen atom

NASA Astrophysics Data System (ADS)

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

2006-10-01

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

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

NASA Astrophysics Data System (ADS)

Mohammadzadeh, Atefeh; Miri, MirFaez

2018-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

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.

Research on a pulmonary nodule segmentation method combining fast self-adaptive FCM and classification.

PubMed

Liu, Hui; Zhang, Cai-Ming; Su, Zhi-Yuan; Wang, Kai; Deng, Kai

2015-01-01

The key problem of computer-aided diagnosis (CAD) of lung cancer is to segment pathologically changed tissues fast and accurately. As pulmonary nodules are potential manifestation of lung cancer, we propose a fast and self-adaptive pulmonary nodules segmentation method based on a combination of FCM clustering and classification learning. The enhanced spatial function considers contributions to fuzzy membership from both the grayscale similarity between central pixels and single neighboring pixels and the spatial similarity between central pixels and neighborhood and improves effectively the convergence rate and self-adaptivity of the algorithm. Experimental results show that the proposed method can achieve more accurate segmentation of vascular adhesion, pleural adhesion, and ground glass opacity (GGO) pulmonary nodules than other typical algorithms.

Fast and Adaptive Sparse Precision Matrix Estimation in High Dimensions

PubMed Central

Liu, Weidong; Luo, Xi

2014-01-01

This paper proposes a new method for estimating sparse precision matrices in the high dimensional setting. It has been popular to study fast computation and adaptive procedures for this problem. We propose a novel approach, called Sparse Column-wise Inverse Operator, to address these two issues. We analyze an adaptive procedure based on cross validation, and establish its convergence rate under the Frobenius norm. The convergence rates under other matrix norms are also established. This method also enjoys the advantage of fast computation for large-scale problems, via a coordinate descent algorithm. Numerical merits are illustrated using both simulated and real datasets. In particular, it performs favorably on an HIV brain tissue dataset and an ADHD resting-state fMRI dataset. PMID:25750463

Age-related change in fast adaptation mechanisms measured with the scotopic full-field ERG.

PubMed

Tillman, Megan A; Panorgias, Athanasios; Werner, John S

2016-06-01

To quantify the response dynamics of fast adaptation mechanisms of the scotopic ERG in younger and older adults using full-field m-sequence flash stimulation. Scotopic ERGs were measured for a series of flashes separated by 65 ms over a range of 260 ms in 16 younger (20-26, 22.2 ± 2.1; range mean ±1 SD) and 16 older (65-85, 71.2 ± 7) observers without retinal pathology. A short-wavelength (λ peak = 442 nm) LED was used for scotopic stimulation, and the flashes ranged from 0.0001 to 0.01 cd s m(-2). The complete binary kernel series was derived from the responses to the m-sequence flash stimulation, and the first- and second-order kernel responses were analyzed. The first-order kernel represented the response to a single, isolated flash, while the second-order kernels reflected the adapted flash responses that followed a single flash by one or more base intervals. B-wave amplitudes of the adapted flash responses were measured and plotted as a function of interstimulus interval to describe the recovery of the scotopic ERG. A linear function was fitted to the linear portion of the recovery curve, and the slope of the line was used to estimate the rate of fast adaptation recovery. The amplitudes of the isolated flash responses and rates of scotopic fast adaptation recovery were compared between the younger and older participants using a two-way ANOVA. The isolated flash responses and rates of recovery were found to be significantly lower in the older adults. However, there was no difference between the two age groups in response amplitude or recovery rate after correcting for age-related changes in the density of the ocular media. These results demonstrated that the rate of scotopic fast adaptation recovery of normal younger and older adults is similar when stimuli are equated for retinal illuminance.

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.

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

NASA Technical Reports Server (NTRS)

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

1976-01-01

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

Ion flow experiments in a multipole discharge chamber

NASA Technical Reports Server (NTRS)

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

1982-01-01

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

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.

Apparatus for and method of simulating turbulence

DOEpatents

Dimas, Athanassios; Lottati, Isaac; Bernard, Peter; Collins, James; Geiger, James C.

2003-01-01

In accordance with a preferred embodiment of the invention, a novel apparatus for and method of simulating physical processes such as fluid flow is provided. Fluid flow near a boundary or wall of an object is represented by a collection of vortex sheet layers. The layers are composed of a grid or mesh of one or more geometrically shaped space filling elements. In the preferred embodiment, the space filling elements take on a triangular shape. An Eulerian approach is employed for the vortex sheets, where a finite-volume scheme is used on the prismatic grid formed by the vortex sheet layers. A Lagrangian approach is employed for the vortical elements (e.g., vortex tubes or filaments) found in the remainder of the flow domain. To reduce the computational time, a hairpin removal scheme is employed to reduce the number of vortex filaments, and a Fast Multipole Method (FMM), preferably implemented using parallel processing techniques, reduces the computation of the velocity field.

A modified dual-level algorithm for large-scale three-dimensional Laplace and Helmholtz equation

NASA Astrophysics Data System (ADS)

Li, Junpu; Chen, Wen; Fu, Zhuojia

2018-01-01

A modified dual-level algorithm is proposed in the article. By the help of the dual level structure, the fully-populated interpolation matrix on the fine level is transformed to a local supported sparse matrix to solve the highly ill-conditioning and excessive storage requirement resulting from fully-populated interpolation matrix. The kernel-independent fast multipole method is adopted to expediting the solving process of the linear equations on the coarse level. Numerical experiments up to 2-million fine-level nodes have successfully been achieved. It is noted that the proposed algorithm merely needs to place 2-3 coarse-level nodes in each wavelength per direction to obtain the reasonable solution, which almost down to the minimum requirement allowed by the Shannon's sampling theorem. In the real human head model example, it is observed that the proposed algorithm can simulate well computationally very challenging exterior high-frequency harmonic acoustic wave propagation up to 20,000 Hz.

Development of a Transient Acoustic Boundary Element Method to Predict the Noise Signature of Swimming Fish

NASA Astrophysics Data System (ADS)

Wagenhoffer, Nathan; Moored, Keith; Jaworski, Justin

2015-11-01

Animals have evolved flexible wings and fins to efficiently and quietly propel themselves through the air and water. The design of quiet and efficient bio-inspired propulsive concepts requires a rapid, unified computational framework that integrates three essential features: the fluid mechanics, the elastic structural response, and the noise generation. This study focuses on the development, validation, and demonstration of a transient, two-dimensional acoustic boundary element solver accelerated by a fast multipole algorithm. The resulting acoustic solver is used to characterize the acoustic signature produced by a vortex street advecting over a NACA 0012 airfoil, which is representative of vortex-body interactions that occur in schools of swimming fish. Both 2S and 2P canonical vortex streets generated by fish are investigated over the range of Strouhal number 0 . 2 < St < 0 . 4 , and the acoustic signature of the airfoil is quantified. This study provides the first estimate of the noise signature of a school of swimming fish. Lehigh University CORE Grant.

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.

Image method for electrostatic energy of polarizable dipolar spheres

NASA Astrophysics Data System (ADS)

Gustafson, Kyle S.; Xu, Guoxi; Freed, Karl F.; Qin, Jian

2017-08-01

The multiple-scattering theory for the electrostatics of many-body systems of monopolar spherical particles, embedded in a dielectric medium, is generalized to describe the electrostatics of these particles with embedded dipoles and multipoles. The Neumann image line construction for the electrostatic polarization produced by one particle is generalized to compute the energy, forces, and torques for the many-body system as functions of the positions of the particles. The approach is validated by comparison with direct numerical calculation, and the convergence rate is analyzed and expressed in terms of the discontinuity in dielectric contrast and particle density. As an illustration of this formalism, the stability of small particle clusters is analyzed. The theory is developed in a form that can readily be adapted to Monte Carlo and molecular dynamics simulations for polarizable particles and, more generally, to study the interactions among polarizable molecules.

Research on a Pulmonary Nodule Segmentation Method Combining Fast Self-Adaptive FCM and Classification

PubMed Central

Liu, Hui; Zhang, Cai-Ming; Su, Zhi-Yuan; Wang, Kai; Deng, Kai

2015-01-01

The key problem of computer-aided diagnosis (CAD) of lung cancer is to segment pathologically changed tissues fast and accurately. As pulmonary nodules are potential manifestation of lung cancer, we propose a fast and self-adaptive pulmonary nodules segmentation method based on a combination of FCM clustering and classification learning. The enhanced spatial function considers contributions to fuzzy membership from both the grayscale similarity between central pixels and single neighboring pixels and the spatial similarity between central pixels and neighborhood and improves effectively the convergence rate and self-adaptivity of the algorithm. Experimental results show that the proposed method can achieve more accurate segmentation of vascular adhesion, pleural adhesion, and ground glass opacity (GGO) pulmonary nodules than other typical algorithms. PMID:25945120

Fast adaptive optical system for the high-power laser beam correction in atmosphere

NASA Astrophysics Data System (ADS)

Kudryashov, Alexis; Lylova, Anna; Samarkin, Vadim; Sheldakova, Julia; Alexandrov, Alexander

2017-09-01

Key elements of the fast adaptive optical system (AOS), having correction frequency of 1400 Hz, for atmospheric turbulence compensation, are described in this paper. A water-cooled bimorph deformable mirror with 46 electrodes, as well as stacked actuator deformable mirror with 81 piezoactuators and 2000 Hz Shack-Hartmann wavefront sensor were considered to be used to control the light beam. The parameters of the turbulence at the 1.2 km path of the light propagation were measured and analyzed. The key parameters for such an adaptive system were worked out.

Fiber type conversion alters inactivation of voltage-dependent sodium currents in murine C2C12 skeletal muscle cells.

PubMed

Zebedin, Eva; Sandtner, Walter; Galler, Stefan; Szendroedi, Julia; Just, Herwig; Todt, Hannes; Hilber, Karlheinz

2004-08-01

Each skeletal muscle of the body contains a unique composition of "fast" and "slow" muscle fibers, each of which is specialized for certain challenges. This composition is not static, and the muscle fibers are capable of adapting their molecular composition by altered gene expression (i.e., fiber type conversion). Whereas changes in the expression of contractile proteins and metabolic enzymes in the course of fiber type conversion are well described, little is known about possible adaptations in the electrophysiological properties of skeletal muscle cells. Such adaptations may involve changes in the expression and/or function of ion channels. In this study, we investigated the effects of fast-to-slow fiber type conversion on currents via voltage-gated Na+ channels in the C(2)C(12) murine skeletal muscle cell line. Prolonged treatment of cells with 25 nM of the Ca2+ ionophore A-23187 caused a significant shift in myosin heavy chain isoform expression from the fast toward the slow isoform, indicating fast-to-slow fiber type conversion. Moreover, Na+ current inactivation was significantly altered. Slow inactivation less strongly inhibited the Na+ currents of fast-to-slow fiber type-converted cells. Compared with control cells, the Na+ currents of converted cells were more resistant to block by tetrodotoxin, suggesting enhanced relative expression of the cardiac Na+ channel isoform Na(v)1.5 compared with the skeletal muscle isoform Na(v)1.4. These results imply that fast-to-slow fiber type conversion of skeletal muscle cells involves functional adaptation of their electrophysiological properties.

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

NASA Astrophysics Data System (ADS)

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

2015-01-01

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

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

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

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

2007-06-15

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

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

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

Hardy, David J., E-mail: dhardy@illinois.edu; Schulten, Klaus; Wolff, Matthew A.

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation methodmore » (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle–mesh Ewald method falls short.« less

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.

PubMed

Hardy, David J; Wolff, Matthew A; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

ICE-COLA: fast simulations for weak lensing observables

NASA Astrophysics Data System (ADS)

Izard, Albert; Fosalba, Pablo; Crocce, Martin

2018-01-01

Approximate methods to full N-body simulations provide a fast and accurate solution to the development of mock catalogues for the modelling of galaxy clustering observables. In this paper we extend ICE-COLA, based on an optimized implementation of the approximate COLA method, to produce weak lensing maps and halo catalogues in the light-cone using an integrated and self-consistent approach. We show that despite the approximate dynamics, the catalogues thus produced enable an accurate modelling of weak lensing observables one decade beyond the characteristic scale where the growth becomes non-linear. In particular, we compare ICE-COLA to the MICE Grand Challenge N-body simulation for some fiducial cases representative of upcoming surveys and find that, for sources at redshift z = 1, their convergence power spectra agree to within 1 per cent up to high multipoles (i.e. of order 1000). The corresponding shear two point functions, ξ+ and ξ-, yield similar accuracy down to 2 and 20 arcmin respectively, while tangential shear around a z = 0.5 lens sample is accurate down to 4 arcmin. We show that such accuracy is stable against an increased angular resolution of the weak lensing maps. Hence, this opens the possibility of using approximate methods for the joint modelling of galaxy clustering and weak lensing observables and their covariance in ongoing and future galaxy surveys.

PHEPS: web-based pH-dependent Protein Electrostatics Server

PubMed Central

Kantardjiev, Alexander A.; Atanasov, Boris P.

2006-01-01

PHEPS (pH-dependent Protein Electrostatics Server) is a web service for fast prediction and experiment planning support, as well as for correlation and analysis of experimentally obtained results, reflecting charge-dependent phenomena in globular proteins. Its implementation is based on long-term experience (PHEI package) and the need to explain measured physicochemical characteristics at the level of protein atomic structure. The approach is semi-empirical and based on a mean field scheme for description and evaluation of global and local pH-dependent electrostatic properties: protein proton binding; ionic sites proton population; free energy electrostatic term; ionic groups proton affinities (pKa,i) and their Coulomb interaction with whole charge multipole; electrostatic potential of whole molecule at fixed pH and pH-dependent local electrostatic potentials at user-defined set of points. The speed of calculation is based on fast determination of distance-dependent pair charge-charge interactions as empirical three exponential function that covers charge–charge, charge–dipole and dipole–dipole contributions. After atomic coordinates input, all standard parameters are used as defaults to facilitate non-experienced users. Special attention was given to interactive addition of non-polypeptide charges, extra ionizable groups with intrinsic pKas or fixed ions. The output information is given as plain-text, readable by ‘RasMol’, ‘Origin’ and the like. The PHEPS server is accessible at . PMID:16845042

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Hardy, David J.; Wolff, Matthew A.; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D.

2016-03-01

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

[Characteristics of night sleep of monkeys on the ground and during space flight on "Kosmos-1667"].

PubMed

Shlyk, G G; Rotenberg, V S; Shirvinskaia, M A; Koro'lkov, V I; Magedov, V S

1989-01-01

The data on the sleep structure of two rhesus monkeys, Vernyi and Gordyi, during their 7-day space flight on Cosmos-1667 and a control study staged a month after recovery are discussed. Sleep structure was changed to the greatest extent the night before launch when additional stress factors were involved. During the first night in space Vernyi showed the so-called recoil effect. Later his sleep structure became stabilized: the specific weight of fast sleep diminished and the fast sleep/delta/sleep index in the first two cycles decreased. In the ground-based control study, sleep parameters pointed to a deteriorated health status of the animal: his fast sleep patterns changed and delta-sleep often reached its maximum after a fast sleep episode. In this animal adaptation was associated with fast sleep restructuring. In the second primate, Gordyi, the process of adaptation was extended and took three nights. This animal consistently showed low parameters of delta-sleep during both fright and postflight control study; it exhibited no recoil phenomenon after its reduction in the prelaunch night. The structure of sleep indicated that it played a lesser role in the overall process of adaptation.

Adaptive Filtering to Enhance Noise Immunity of Impedance and Admittance Spectroscopy: Comparison with Fourier Transformation

NASA Astrophysics Data System (ADS)

Stupin, Daniil D.; Koniakhin, Sergei V.; Verlov, Nikolay A.; Dubina, Michael V.

2017-05-01

The time-domain technique for impedance spectroscopy consists of computing the excitation voltage and current response Fourier images by fast or discrete Fourier transformation and calculating their relation. Here we propose an alternative method for excitation voltage and current response processing for deriving a system impedance spectrum based on a fast and flexible adaptive filtering method. We show the equivalence between the problem of adaptive filter learning and deriving the system impedance spectrum. To be specific, we express the impedance via the adaptive filter weight coefficients. The noise-canceling property of adaptive filtering is also justified. Using the RLC circuit as a model system, we experimentally show that adaptive filtering yields correct admittance spectra and elements ratings in the high-noise conditions when the Fourier-transform technique fails. Providing the additional sensitivity of impedance spectroscopy, adaptive filtering can be applied to otherwise impossible-to-interpret time-domain impedance data. The advantages of adaptive filtering are justified with practical living-cell impedance measurements.

Digital-only PLL with adaptive search step

NASA Astrophysics Data System (ADS)

Lin, Ming-Lang; Huang, Shu-Chuan; Liu, Jie-Cherng

2014-06-01

In this paper, an all-digital phase-locked loop (PLL) with adaptively controlled up/down counter serves as the loop filter is presented, and it is implemented on a field-programmable gate array. The detailed circuit of the adaptive up/down counter implementing the adaptive search algorithm is also given, in which the search step for frequency acquisition is adaptively scaled down in half until it is reduced to zero. The phase jitter of the proposed PLL can be lowered, yet keeping with fast lock-in time. Thus, the dilemma between the low phase jitter and fast lock-in time of the traditional PLL can be resolved. Simulation results and circuit implementation show that the locked count, phase jitter and lock-in time of the proposed PLL are consistent with the theoretical predictions.

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.

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

NASA Astrophysics Data System (ADS)

Pétri, J.

2017-12-01

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

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

PubMed

Tanimoto, Hirokazu; Sano, Masaki

2014-01-07

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

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

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

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

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

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

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

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

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

Quantum crystallographic charge density of urea

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

Wall, Michael E.

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

Quantum crystallographic charge density of urea

DOE PAGES

Wall, Michael E.

2016-06-08

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

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

NASA Astrophysics Data System (ADS)

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

1980-12-01

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

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

DOE PAGES

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

2017-07-21

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

Efficient minimization of multipole electrostatic potentials in torsion space

PubMed Central

Bodmer, Nicholas K.

2018-01-01

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

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.

Endocrine response to realimentation in young northern elephant seals (Mirounga angustirostris): Indications for development of fasting adaptation.

PubMed

Dailey, Rachael E; Fontaine, Christine M; Avery, Julie P

2016-09-01

Most organisms undergo changes in their environment, both predictably and unpredictably, which require them to alter priorities in nutrient allocation with regards to food availability. Species that more predictably encounter extended periods of limited food resources or intake while mitigating the negative effects of starvation are considered to be fasting adapted. Northern elephant seals (NES) are one such species and routinely undergo extended periods of fasting for breeding, molting, as well as a post-weaning fast at 6-8weeks of age. However, during unusual times of nutritional deprivation, animals may enter stage III fasting. While fasting and foraging in this species has been extensively studied, realimentation following fasting beyond normal life history parameters has not been investigated. In this study, changes in ghrelin, growth hormone (GH), and insulin-like growth factor (IGF)-I were compared across 8weeks of realimentation following emaciation in three age classes: neonates, post-molt pups, and yearlings. Longitudinal changes in hormone profiles indicate that neonate and post-molt pups are slow to recover mass and positive energy balance despite an energy dense diet fed at 10% body mass. In addition, ghrelin and GH concentrations remained elevated in post-molt pups compared to other age classes. Changes in hormone concentrations early in realimentation indicate that yearling animals recover more rapidly from periods of nutritional deprivation than do younger animals. Overall, this suggests that the ability to regulate metabolic homeostasis with regards to nutrient allocation may develop over time, even in a species that is considered to be fasting adapted. Copyright © 2016 Elsevier Inc. All rights reserved.

Fast Nonlinear Generalized Inversion of Gravity Data with Application to the Three-Dimensional Crustal Density Structure of Sichuan Basin, Southwest China

NASA Astrophysics Data System (ADS)

Wang, Jun; Meng, Xiaohong; Li, Fang

2017-11-01

Generalized inversion is one of the important steps in the quantitative interpretation of gravity data. With appropriate algorithm and parameters, it gives a view of the subsurface which characterizes different geological bodies. However, generalized inversion of gravity data is time consuming due to the large amount of data points and model cells adopted. Incorporating of various prior information as constraints deteriorates the above situation. In the work discussed in this paper, a method for fast nonlinear generalized inversion of gravity data is proposed. The fast multipole method is employed for forward modelling. The inversion objective function is established with weighted data misfit function along with model objective function. The total objective function is solved by a dataspace algorithm. Moreover, depth weighing factor is used to improve depth resolution of the result, and bound constraint is incorporated by a transfer function to limit the model parameters in a reliable range. The matrix inversion is accomplished by a preconditioned conjugate gradient method. With the above algorithm, equivalent density vectors can be obtained, and interpolation is performed to get the finally density model on the fine mesh in the model domain. Testing on synthetic gravity data demonstrated that the proposed method is faster than conventional generalized inversion algorithm to produce an acceptable solution for gravity inversion problem. The new developed inversion method was also applied for inversion of the gravity data collected over Sichuan basin, southwest China. The established density structure in this study helps understanding the crustal structure of Sichuan basin and provides reference for further oil and gas exploration in this area.

The block adaptive multigrid method applied to the solution of the Euler equations

NASA Technical Reports Server (NTRS)

Pantelelis, Nikos

1993-01-01

In the present study, a scheme capable of solving very fast and robust complex nonlinear systems of equations is presented. The Block Adaptive Multigrid (BAM) solution method offers multigrid acceleration and adaptive grid refinement based on the prediction of the solution error. The proposed solution method was used with an implicit upwind Euler solver for the solution of complex transonic flows around airfoils. Very fast results were obtained (18-fold acceleration of the solution) using one fourth of the volumes of a global grid with the same solution accuracy for two test cases.

Adaptive Monocular Visual-Inertial SLAM for Real-Time Augmented Reality Applications in Mobile Devices.

PubMed

Piao, Jin-Chun; Kim, Shin-Dug

2017-11-07

Simultaneous localization and mapping (SLAM) is emerging as a prominent issue in computer vision and next-generation core technology for robots, autonomous navigation and augmented reality. In augmented reality applications, fast camera pose estimation and true scale are important. In this paper, we present an adaptive monocular visual-inertial SLAM method for real-time augmented reality applications in mobile devices. First, the SLAM system is implemented based on the visual-inertial odometry method that combines data from a mobile device camera and inertial measurement unit sensor. Second, we present an optical-flow-based fast visual odometry method for real-time camera pose estimation. Finally, an adaptive monocular visual-inertial SLAM is implemented by presenting an adaptive execution module that dynamically selects visual-inertial odometry or optical-flow-based fast visual odometry. Experimental results show that the average translation root-mean-square error of keyframe trajectory is approximately 0.0617 m with the EuRoC dataset. The average tracking time is reduced by 7.8%, 12.9%, and 18.8% when different level-set adaptive policies are applied. Moreover, we conducted experiments with real mobile device sensors, and the results demonstrate the effectiveness of performance improvement using the proposed method.

Fast implementation of length-adaptive privacy amplification in quantum key distribution

NASA Astrophysics Data System (ADS)

Zhang, Chun-Mei; Li, Mo; Huang, Jing-Zheng; Patcharapong, Treeviriyanupab; Li, Hong-Wei; Li, Fang-Yi; Wang, Chuan; Yin, Zhen-Qiang; Chen, Wei; Keattisak, Sripimanwat; Han, Zhen-Fu

2014-09-01

Post-processing is indispensable in quantum key distribution (QKD), which is aimed at sharing secret keys between two distant parties. It mainly consists of key reconciliation and privacy amplification, which is used for sharing the same keys and for distilling unconditional secret keys. In this paper, we focus on speeding up the privacy amplification process by choosing a simple multiplicative universal class of hash functions. By constructing an optimal multiplication algorithm based on four basic multiplication algorithms, we give a fast software implementation of length-adaptive privacy amplification. “Length-adaptive” indicates that the implementation of privacy amplification automatically adapts to different lengths of input blocks. When the lengths of the input blocks are 1 Mbit and 10 Mbit, the speed of privacy amplification can be as fast as 14.86 Mbps and 10.88 Mbps, respectively. Thus, it is practical for GHz or even higher repetition frequency QKD systems.

MFN1 deacetylation activates adaptive mitochondrial fusion and protects metabolically challenged mitochondria.

PubMed

Lee, Joo-Yong; Kapur, Meghan; Li, Ming; Choi, Moon-Chang; Choi, Sujin; Kim, Hak-June; Kim, Inhye; Lee, Eunji; Taylor, J Paul; Yao, Tso-Pang

2014-11-15

Fasting and glucose shortage activate a metabolic switch that shifts more energy production to mitochondria. This metabolic adaptation ensures energy supply, but also elevates the risk of mitochondrial oxidative damage. Here, we present evidence that metabolically challenged mitochondria undergo active fusion to suppress oxidative stress. In response to glucose starvation, mitofusin 1 (MFN1) becomes associated with the protein deacetylase HDAC6. This interaction leads to MFN1 deacetylation and activation, promoting mitochondrial fusion. Deficiency in HDAC6 or MFN1 prevents mitochondrial fusion induced by glucose deprivation. Unexpectedly, failure to undergo fusion does not acutely affect mitochondrial adaptive energy production; instead, it causes excessive production of mitochondrial reactive oxygen species and oxidative damage, a defect suppressed by an acetylation-resistant MFN1 mutant. In mice subjected to fasting, skeletal muscle mitochondria undergo dramatic fusion. Remarkably, fasting-induced mitochondrial fusion is abrogated in HDAC6-knockout mice, resulting in extensive mitochondrial degeneration. These findings show that adaptive mitochondrial fusion protects metabolically challenged mitochondria. © 2014. Published by The Company of Biologists Ltd.

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.

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

NASA Astrophysics Data System (ADS)

Pilkington, Terry

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

Exact formulas for multipole moments using Slater-type molecular orbitals

NASA Technical Reports Server (NTRS)

Jones, H. W.

1986-01-01

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

Dielectric metamaterials with toroidal dipolar response

DOE PAGES

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

2015-03-27

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

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

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

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

Experimental investigations of argon and xenon ion sources

NASA Technical Reports Server (NTRS)

Kaufman, H. R.

1975-01-01

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

General quadrupolar statistical anisotropy: Planck limits

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

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

2017-03-01

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

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

PubMed

Enqvist, Kari; Sloth, Martin S

2004-11-26

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

Adaptive online monitoring for ICU patients by combining just-in-time learning and principal component analysis.

PubMed

Li, Xuejian; Wang, Youqing

2016-12-01

Offline general-type models are widely used for patients' monitoring in intensive care units (ICUs), which are developed by using past collected datasets consisting of thousands of patients. However, these models may fail to adapt to the changing states of ICU patients. Thus, to be more robust and effective, the monitoring models should be adaptable to individual patients. A novel combination of just-in-time learning (JITL) and principal component analysis (PCA), referred to learning-type PCA (L-PCA), was proposed for adaptive online monitoring of patients in ICUs. JITL was used to gather the most relevant data samples for adaptive modeling of complex physiological processes. PCA was used to build an online individual-type model and calculate monitoring statistics, and then to judge whether the patient's status is normal or not. The adaptability of L-PCA lies in the usage of individual data and the continuous updating of the training dataset. Twelve subjects were selected from the Physiobank's Multi-parameter Intelligent Monitoring for Intensive Care II (MIMIC II) database, and five vital signs of each subject were chosen. The proposed method was compared with the traditional PCA and fast moving-window PCA (Fast MWPCA). The experimental results demonstrated that the fault detection rates respectively increased by 20 % and 47 % compared with PCA and Fast MWPCA. L-PCA is first introduced into ICU patients monitoring and achieves the best monitoring performance in terms of adaptability to changes in patient status and sensitivity for abnormality detection.

Three timescales in prism adaptation.

PubMed

Inoue, Masato; Uchimura, Motoaki; Karibe, Ayaka; O'Shea, Jacinta; Rossetti, Yves; Kitazawa, Shigeru

2015-01-01

It has been proposed that motor adaptation depends on at least two learning systems, one that learns fast but with poor retention and another that learns slowly but with better retention (Smith MA, Ghazizadeh A, Shadmehr R. PLoS Biol 4: e179, 2006). This two-state model has been shown to account for a range of behavior in the force field adaptation task. In the present study, we examined whether such a two-state model could also account for behavior arising from adaptation to a prismatic displacement of the visual field. We first confirmed that an "adaptation rebound," a critical prediction of the two-state model, occurred when visual feedback was deprived after an adaptation-extinction episode. We then examined the speed of decay of the prism aftereffect (without any visual feedback) after repetitions of 30, 150, and 500 trials of prism exposure. The speed of decay decreased with the number of exposure trials, a phenomenon that was best explained by assuming an "ultraslow" system, in addition to the fast and slow systems. Finally, we compared retention of aftereffects 24 h after 150 or 500 trials of exposure: retention was significantly greater after 500 than 150 trials. This difference in retention could not be explained by the two-state model but was well explained by the three-state model as arising from the difference in the amount of adaptation of the "ultraslow process." These results suggest that there are not only fast and slow systems but also an ultraslow learning system in prism adaptation that is activated by prolonged prism exposure of 150-500 trials. Copyright © 2015 the American Physiological Society.

Fast Dynamical Coupling Enhances Frequency Adaptation of Oscillators for Robotic Locomotion Control

PubMed Central

Nachstedt, Timo; Tetzlaff, Christian; Manoonpong, Poramate

2017-01-01

Rhythmic neural signals serve as basis of many brain processes, in particular of locomotion control and generation of rhythmic movements. It has been found that specific neural circuits, named central pattern generators (CPGs), are able to autonomously produce such rhythmic activities. In order to tune, shape and coordinate the produced rhythmic activity, CPGs require sensory feedback, i.e., external signals. Nonlinear oscillators are a standard model of CPGs and are used in various robotic applications. A special class of nonlinear oscillators are adaptive frequency oscillators (AFOs). AFOs are able to adapt their frequency toward the frequency of an external periodic signal and to keep this learned frequency once the external signal vanishes. AFOs have been successfully used, for instance, for resonant tuning of robotic locomotion control. However, the choice of parameters for a standard AFO is characterized by a trade-off between the speed of the adaptation and its precision and, additionally, is strongly dependent on the range of frequencies the AFO is confronted with. As a result, AFOs are typically tuned such that they require a comparably long time for their adaptation. To overcome the problem, here, we improve the standard AFO by introducing a novel adaptation mechanism based on dynamical coupling strengths. The dynamical adaptation mechanism enhances both the speed and precision of the frequency adaptation. In contrast to standard AFOs, in this system, the interplay of dynamics on short and long time scales enables fast as well as precise adaptation of the oscillator for a wide range of frequencies. Amongst others, a very natural implementation of this mechanism is in terms of neural networks. The proposed system enables robotic applications which require fast retuning of locomotion control in order to react to environmental changes or conditions. PMID:28377710

Traction reveals mechanisms of wall effects for microswimmers near boundaries

NASA Astrophysics Data System (ADS)

Shen, Xinhui; Marcos, Fu, Henry C.

2017-03-01

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

Traction reveals mechanisms of wall effects for microswimmers near boundaries.

PubMed

Shen, Xinhui; Marcos; Fu, Henry C

2017-03-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Anatomy of the binary black hole recoil: A multipolar analysis

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

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

2008-02-15

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

Anatomy of the Binary Black Hole Recoil: A Multipolar Analysis

NASA Technical Reports Server (NTRS)

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

2007-01-01

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

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

NASA Technical Reports Server (NTRS)

Haynes, C. M.

1980-01-01

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

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

Adaptation to Low Temperature Exposure Increases Metabolic Rates Independently of Growth Rates

PubMed Central

Williams, Caroline M.; Szejner-Sigal, Andre; Morgan, Theodore J.; Edison, Arthur S.; Allison, David B.; Hahn, Daniel A.

2016-01-01

Metabolic cold adaptation is a pattern where ectotherms from cold, high-latitude, or -altitude habitats have higher metabolic rates than ectotherms from warmer habitats. When found, metabolic cold adaptation is often attributed to countergradient selection, wherein short, cool growing seasons select for a compensatory increase in growth rates and development times of ectotherms. Yet, ectotherms in high-latitude and -altitude environments face many challenges in addition to thermal and time constraints on lifecycles. In addition to short, cool growing seasons, high-latitude and - altitude environments are characterized by regular exposure to extreme low temperatures, which cause ectotherms to enter a transient state of immobility termed chill coma. The ability to resume activity quickly after chill coma increases with latitude and altitude in patterns consistent with local adaptation to cold conditions. We show that artificial selection for fast and slow chill coma recovery among lines of the fly Drosophila melanogaster also affects rates of respiratory metabolism. Cold-hardy fly lines, with fast recovery from chill coma, had higher respiratory metabolic rates than control lines, with cold-susceptible slow-recovering lines having the lowest metabolic rates. Fast chill coma recovery was also associated with higher respiratory metabolism in a set of lines derived from a natural population. Although their metabolic rates were higher than control lines, fast-recovering cold-hardy lines did not have faster growth rates or development times than control lines. This suggests that raised metabolic rates in high-latitude and -altitude species may be driven by adaptation to extreme low temperatures, illustrating the importance of moving “Beyond the Mean”. PMID:27103615

Adaptive Monocular Visual–Inertial SLAM for Real-Time Augmented Reality Applications in Mobile Devices

PubMed Central

Piao, Jin-Chun; Kim, Shin-Dug

2017-01-01

Simultaneous localization and mapping (SLAM) is emerging as a prominent issue in computer vision and next-generation core technology for robots, autonomous navigation and augmented reality. In augmented reality applications, fast camera pose estimation and true scale are important. In this paper, we present an adaptive monocular visual–inertial SLAM method for real-time augmented reality applications in mobile devices. First, the SLAM system is implemented based on the visual–inertial odometry method that combines data from a mobile device camera and inertial measurement unit sensor. Second, we present an optical-flow-based fast visual odometry method for real-time camera pose estimation. Finally, an adaptive monocular visual–inertial SLAM is implemented by presenting an adaptive execution module that dynamically selects visual–inertial odometry or optical-flow-based fast visual odometry. Experimental results show that the average translation root-mean-square error of keyframe trajectory is approximately 0.0617 m with the EuRoC dataset. The average tracking time is reduced by 7.8%, 12.9%, and 18.8% when different level-set adaptive policies are applied. Moreover, we conducted experiments with real mobile device sensors, and the results demonstrate the effectiveness of performance improvement using the proposed method. PMID:29112143

Adaptive nonsingular fast terminal sliding-mode control for the tracking problem of uncertain dynamical systems.

PubMed

Boukattaya, Mohamed; Mezghani, Neila; Damak, Tarak

2018-06-01

In this paper, robust and adaptive nonsingular fast terminal sliding-mode (NFTSM) control schemes for the trajectory tracking problem are proposed with known or unknown upper bound of the system uncertainty and external disturbances. The developed controllers take the advantage of the NFTSM theory to ensure fast convergence rate, singularity avoidance, and robustness against uncertainties and external disturbances. First, a robust NFTSM controller is proposed which guarantees that sliding surface and equilibrium point can be reached in a short finite-time from any initial state. Then, in order to cope with the unknown upper bound of the system uncertainty which may be occurring in practical applications, a new adaptive NFTSM algorithm is developed. One feature of the proposed control law is their adaptation techniques where the prior knowledge of parameters uncertainty and disturbances is not needed. However, the adaptive tuning law can estimate the upper bound of these uncertainties using only position and velocity measurements. Moreover, the proposed controller eliminates the chattering effect without losing the robustness property and the precision. Stability analysis is performed using the Lyapunov stability theory, and simulation studies are conducted to verify the effectiveness of the developed control schemes. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

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)

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

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.

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

PubMed Central

Onufriev, Alexey V.

2013-01-01

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order. PMID:23861790

Hidden in the background: a local approach to CMB anomalies

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

Sánchez, Juan C. Bueno, E-mail: juan.c.bueno@correounivalle.edu.co

2016-09-01

We investigate a framework aiming to provide a common origin for the large-angle anomalies detected in the Cosmic Microwave Background (CMB), which are hypothesized as the result of the statistical inhomogeneity developed by different isocurvature fields of mass m ∼ H present during inflation. The inhomogeneity arises as the combined effect of ( i ) the initial conditions for isocurvature fields (obtained after a fast-roll stage finishing many e -foldings before cosmological scales exit the horizon), ( ii ) their inflationary fluctuations and ( iii ) their coupling to other degrees of freedom. Our case of interest is when thesemore » fields (interpreted as the precursors of large-angle anomalies) leave an observable imprint only in isolated patches of the Universe. When the latter intersect the last scattering surface, such imprints arise in the CMB. Nevertheless, due to their statistically inhomogeneous nature, these imprints are difficult to detect, for they become hidden in the background similarly to the Cold Spot. We then compute the probability that a single isocurvature field becomes inhomogeneous at the end of inflation and find that, if the appropriate conditions are given (which depend exclusively on the preexisting fast-roll stage), this probability is at the percent level. Finally, we discuss several mechanisms (including the curvaton and the inhomogeneous reheating) to investigate whether an initial statistically inhomogeneous isocurvature field fluctuation might give rise to some of the observed anomalies. In particular, we focus on the Cold Spot, the power deficit at low multipoles and the breaking of statistical isotropy.« less

Short-term fasting induces intra-hepatic lipid accumulation and decreases intestinal mass without reduced brush-border enzyme activity in mink (Mustela vison) small intestine.

PubMed

Bjornvad, C R; Elnif, J; Sangild, P T

2004-11-01

For many mammalian species short-term fasting is associated with intestinal atrophy and decreased digestive capacity. Under natural conditions, strictly carnivorous animals often experience prey scarcity during winter, and they may therefore be particularly well adapted to short-term food deprivation. To examine how the carnivorous gastrointestinal tract is affected by fasting, small-intestinal structure, brush-border enzyme activities and hepatic structure and function were examined in fed mink (controls) and mink that had been fasted for 1-10 days. During the first 1-2 days of fasting, intestinal mass decreased more rapidly than total body mass and villus heights were reduced 25-40%. In contrast, tissue-specific activity of the brush-border enzymes sucrase, maltase, lactase, aminopeptidase A and dipeptidylpeptidase IV increased 0.5- to 1.5-fold at this time, but returned to prefasting levels after 6 days of fasting. After 6-10 days of fasting there was a marked increase in the activity of hepatic enzymes and accumulation of intra-hepatic lipid vacuoles. Thus, mink may be a useful model for studying fasting-induced intestinal atrophy and adaptation as well as mechanisms involved in accumulation of intra-hepatic lipids following food deprivation in strictly carnivorous domestic mammals, such as cats and ferrets.

Behaviors of ellipsoidal micro-particles within a two-beam optical levitator

NASA Astrophysics Data System (ADS)

Petkov, T.; Yang, M.; Ren, K. F.; Pouligny, B.; Loudet, J.-C.

2017-07-01

The two-beam levitator (TBL) is a standard optical setup made of a couple of counter-propagating beams. Note worthily, TBLs allow the manipulation and trapping of particles at long working distances. While much experience has been accumulated in the trapping of single spherical particles in TBLs, the behaviors of asymmetrical particles turn out to be more complex, and even surprising. Here, we report observations with prolate ellipsoidal polystyrene particles, with varying aspect ratio and ratio of the two beam powers. Generalizing the earlier work by Mihiretie et al. in single beam geometries [JQSRT 126, 61 (2013)], we observe that particles may be either static, or permanently oscillating, and that the two-beam geometry produces new particle responses: some of them are static, but non-symmetrical, while others correspond to new types of oscillations. A two-dimensional model based on ray-optics qualitatively accounts for these configurations and for the "primary" oscillations of the particles. Furthermore, levitation powers measured in the experiments are in fair agreement with those computed from GLMT (Generalized Lorentz Mie Theory), MLFMA (Multilevel Fast Multipole Algorithm) and approximate ray-optics methods.

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.

Improving GPU-accelerated adaptive IDW interpolation algorithm using fast kNN search.

PubMed

Mei, Gang; Xu, Nengxiong; Xu, Liangliang

2016-01-01

This paper presents an efficient parallel Adaptive Inverse Distance Weighting (AIDW) interpolation algorithm on modern Graphics Processing Unit (GPU). The presented algorithm is an improvement of our previous GPU-accelerated AIDW algorithm by adopting fast k-nearest neighbors (kNN) search. In AIDW, it needs to find several nearest neighboring data points for each interpolated point to adaptively determine the power parameter; and then the desired prediction value of the interpolated point is obtained by weighted interpolating using the power parameter. In this work, we develop a fast kNN search approach based on the space-partitioning data structure, even grid, to improve the previous GPU-accelerated AIDW algorithm. The improved algorithm is composed of the stages of kNN search and weighted interpolating. To evaluate the performance of the improved algorithm, we perform five groups of experimental tests. The experimental results indicate: (1) the improved algorithm can achieve a speedup of up to 1017 over the corresponding serial algorithm; (2) the improved algorithm is at least two times faster than our previous GPU-accelerated AIDW algorithm; and (3) the utilization of fast kNN search can significantly improve the computational efficiency of the entire GPU-accelerated AIDW algorithm.

Physiological adaptations to fasting in an actively wintering canid, the Arctic blue fox (Alopex lagopus).

PubMed

Mustonen, Anne-Mari; Pyykönen, Teija; Puukka, Matti; Asikainen, Juha; Hänninen, Sari; Mononen, Jaakko; Nieminen, Petteri

2006-01-01

This study investigated the physiological adaptations to fasting using the farmed blue fox (Alopex lagopus) as a model for the endangered wild arctic fox. Sixteen blue foxes were fed throughout the winter and 32 blue foxes were fasted for 22 d in Nov-Dec 2002. Half of the fasted blue foxes were food-deprived again for 22 d in Jan-Feb 2003. The farmed blue fox lost weight at a slower rate (0.97-1.02% body mass d(-1)) than observed previously in the arctic fox, possibly due to its higher initial body fat content. The animals experienced occasional fasting-induced hypoglycaemia, but their locomotor activity was not affected. The plasma triacylglycerol and glycerol concentrations were elevated during phase II of fasting indicating stimulated lipolysis, probably induced by the high growth hormone concentrations. The total cholesterol, HDL- and LDL-cholesterol, urea, uric acid and total protein levels and the urea:creatinine ratio decreased during fasting. Although the plasma levels of some essential amino acids increased, the blue foxes did not enter phase III of starvation characterized by stimulated proteolysis during either of the 22-d fasting procedures. Instead of excessive protein catabolism, it is liver dysfunction, indicated by the increased plasma bilirubin levels and alkaline phosphatase, alanine aminotransferase and aspartate aminotransferase activities, that may limit the duration of fasting in the species.

Compensated pulsed alternator

DOEpatents

Weldon, William F.; Driga, Mircea D.; Woodson, Herbert H.

1980-01-01

This invention relates to an electromechanical energy converter with inertial energy storage. The device, a single phase, two or multi-pole alternator with stationary field coils, and a rotating armature is provided. The rotor itself may be of laminated steel for slower pulses or for faster pulses should be nonmagnetic and electrically nonconductive in order to allow rapid penetration of the field as the armature coil rotates. The armature coil comprises a plurality of power generating conductors mounted on the rotor. The alternator may also include a stationary or counterrotating compensating coil to increase the output voltage thereof and to reduce the internal impedance of the alternator at the moment of peak outout. As the machine voltage rises sinusoidally, an external trigger switch is adapted to be closed at the appropriate time to create the desired output current from said alternator to an external load circuit, and as the output current passes through zero a self-commutating effect is provided to allow the switch to disconnect the generator from the external circuit.

Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.

PubMed

Totton, Tim S; Misquitta, Alston J; Kraft, Markus

2011-11-24

In this work we assess a recently published anisotropic potential for polycyclic aromatic hydrocarbon (PAH) molecules (J. Chem. Theory Comput. 2010, 6, 683-695). Comparison to recent high-level symmetry-adapted perturbation theory based on density functional theory (SAPT(DFT)) results for coronene (C(24)H(12)) demonstrate the transferability of the potential while highlighting some limitations with simple point charge descriptions of the electrostatic interaction. The potential is also shown to reproduce second virial coefficients of benzene (C(6)H(6)) with high accuracy, and this is enhanced by using a distributed multipole model for the electrostatic interaction. The graphene dimer interaction energy and the exfoliation energy of graphite have been estimated by extrapolation of PAH interaction energies. The contribution of nonlocal fluctuations in the π electron density in graphite have also been estimated which increases the exfoliation energy by 3.0 meV atom(-1) to 47.6 meV atom(-1), which compares well to recent theoretical and experimental results.

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

PubMed

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

2015-10-28

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

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

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

Planar Multipol-Resonance-Probe: A Spectral Kinetic Approach

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

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

PubMed

Kesden, Michael; Kamionkowski, Marc; Cooray, Asantha

2003-11-28

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

FGF21 and the late adaptive response to starvation in humans.

PubMed

Fazeli, Pouneh K; Lun, Mingyue; Kim, Soo M; Bredella, Miriam A; Wright, Spenser; Zhang, Yang; Lee, Hang; Catana, Ciprian; Klibanski, Anne; Patwari, Parth; Steinhauser, Matthew L

2015-11-03

In mice, FGF21 is rapidly induced by fasting, mediates critical aspects of the adaptive starvation response, and displays a number of positive metabolic properties when administered pharmacologically. In humans, however, fasting does not consistently increase FGF21, suggesting a possible evolutionary divergence in FGF21 function. Moreover, many key aspects of FGF21 function in mice have been identified in the context of transgenic overexpression or administration of supraphysiologic doses, rather than in a physiologic setting. Here, we explored the dynamics and function of FGF21 in human volunteers during a 10-day fast. Unlike mice, which show an increase in circulating FGF21 after only 6 hours, human subjects did not have a notable surge in FGF21 until 7 to 10 days of fasting. Moreover, we determined that FGF21 induction was associated with decreased thermogenesis and adiponectin, an observation that directly contrasts with previous reports based on supraphysiologic dosing. Additionally, FGF21 levels increased after ketone induction, demonstrating that endogenous FGF21 does not drive starvation-mediated ketogenesis in humans. Instead, a longitudinal analysis of biologically relevant variables identified serum transaminases--markers of tissue breakdown--as predictors of FGF21. These data establish FGF21 as a fasting-induced hormone in humans and indicate that FGF21 contributes to the late stages of adaptive starvation, when it may regulate the utilization of fuel derived from tissue breakdown.

Climate adaptation and speciation: particular focus on reproductive barriers in Ficedula flycatchers.

PubMed

Qvarnström, Anna; Ålund, Murielle; McFarlane, S Eryn; Sirkiä, Päivi M

2016-01-01

Climate adaptation is surprisingly rarely reported as a cause for the build-up of reproductive isolation between diverging populations. In this review, we summarize evidence for effects of climate adaptation on pre- and postzygotic isolation between emerging species with a particular focus on pied (Ficedula hypoleuca) and collared (Ficedula albicollis) flycatchers as a model for research on speciation. Effects of climate adaptation on prezygotic isolation or extrinsic selection against hybrids have been documented in several taxa, but the combined action of climate adaptation and sexual selection is particularly well explored in Ficedula flycatchers. There is a general lack of evidence for divergent climate adaptation causing intrinsic postzygotic isolation. However, we argue that the profound effects of divergence in climate adaptation on the whole biochemical machinery of organisms and hence many underlying genes should increase the likelihood of genetic incompatibilities arising as side effects. Fast temperature-dependent co-evolution between mitochondrial and nuclear genomes may be particularly likely to lead to hybrid sterility. Thus, how climate adaptation relates to reproductive isolation is best explored in relation to fast-evolving barriers to gene flow, while more research on later stages of divergence is needed to achieve a complete understanding of climate-driven speciation.

Automatic Adaptation to Fast Input Changes in a Time-Invariant Neural Circuit

PubMed Central

Bharioke, Arjun; Chklovskii, Dmitri B.

2015-01-01

Neurons must faithfully encode signals that can vary over many orders of magnitude despite having only limited dynamic ranges. For a correlated signal, this dynamic range constraint can be relieved by subtracting away components of the signal that can be predicted from the past, a strategy known as predictive coding, that relies on learning the input statistics. However, the statistics of input natural signals can also vary over very short time scales e.g., following saccades across a visual scene. To maintain a reduced transmission cost to signals with rapidly varying statistics, neuronal circuits implementing predictive coding must also rapidly adapt their properties. Experimentally, in different sensory modalities, sensory neurons have shown such adaptations within 100 ms of an input change. Here, we show first that linear neurons connected in a feedback inhibitory circuit can implement predictive coding. We then show that adding a rectification nonlinearity to such a feedback inhibitory circuit allows it to automatically adapt and approximate the performance of an optimal linear predictive coding network, over a wide range of inputs, while keeping its underlying temporal and synaptic properties unchanged. We demonstrate that the resulting changes to the linearized temporal filters of this nonlinear network match the fast adaptations observed experimentally in different sensory modalities, in different vertebrate species. Therefore, the nonlinear feedback inhibitory network can provide automatic adaptation to fast varying signals, maintaining the dynamic range necessary for accurate neuronal transmission of natural inputs. PMID:26247884

15 Gbit/s indoor optical wireless systems employing fast adaptation and imaging reception in a realistic environment

NASA Astrophysics Data System (ADS)

Alsaadi, Fuad E.

2016-03-01

Optical wireless systems are promising candidates for next-generation indoor communication networks. Optical wireless technology offers freedom from spectrum regulations and, compared to current radio-frequency networks, higher data rates and increased security. This paper presents a fast adaptation method for multibeam angle and delay adaptation systems and a new spot-diffusing geometry, and also considers restrictions needed for complying with eye safety regulations. The fast adaptation algorithm reduces the computational load required to reconfigure the transmitter in the case of transmitter and/or receiver mobility. The beam clustering approach enables the transmitter to assign power to spots within the pixel's field of view (FOV) and increases the number of such spots. Thus, if the power per spot is restricted to comply with eye safety standards, the new approach, in which more spots are visible within the FOV of the pixel, leads to enhanced signal-to-noise ratio (SNR). Simulation results demonstrate that the techniques proposed in this paper lead to SNR improvements that enable reliable operation at data rates as high as 15 Gbit/s. These results are based on simulation and not on actual measurements or experiments.

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.

Prolonged fasting activates hypoxia inducible factor -1α, -2α and -3α in a tissue-specific manner in northern elephant seal pups

PubMed Central

Soñanez-Organis, José G.; Vázquez-Medina, José P.; Crocker, Daniel E.; Ortiz, Rudy M.

2013-01-01

Hypoxia inducible factors (HIFs) are important regulators of energy homeostasis and cellular adaptation to low oxygen conditions. Northern elephant seals are naturally adapted to prolonged periods (1–2 months) of food deprivation (fasting) that result in metabolic changes that may activate HIF-1. However, the effects of prolonged fasting on HIFs are not well defined. We obtained the full-length cDNAs of HIF-1α and HIF-2α, and partial cDNA of HIF-3α in northern elephant seal pups. We also measured mRNA and nuclear protein content of HIF-1α, -2α, -3α in muscle and adipose during prolonged fasting (1, 3, 5 & 7 wks), along with mRNA expression of HIF-mediated genes, LDH and VEGF. HIF-1α, -2α and -3α are 2595, 2852 and 1842 bp and encode proteins of 823, 864 and 586 amino acid residues with conserved domains needed for their function (bHLH and PAS) and regulation (ODD and TAD). HIF-1α and -2α mRNA expression increased 3- to 5-fold after 7 weeks of fasting in adipose and muscle, whereas HIF-3α increased 5-fold after 7 weeks of fasting in adipose. HIF-2α protein expression was detected in nuclear fractions from adipose and muscle, increasing approximately 2-fold, respectively with fasting. Expression of VEGF increased 3-fold after 7 weeks in adipose and muscle, whereas LDH mRNA expression increased 12-fold after 7 weeks in adipose. While the 3 HIFα genes are expressed in muscle and adipose, only HIF-2α protein was detectable in the nucleus suggesting that HIF-2α may contribute more significantly in the up-regulation of genes involved in the metabolic adaption during fasting in the elephant seal. PMID:23707926

Prolonged fasting activates hypoxia inducible factors-1α, -2α and -3α in a tissue-specific manner in northern elephant seal pups.

PubMed

Soñanez-Organis, José G; Vázquez-Medina, José P; Crocker, Daniel E; Ortiz, Rudy M

2013-09-10

Hypoxia inducible factors (HIFs) are important regulators of energy homeostasis and cellular adaptation to low oxygen conditions. Northern elephant seals are naturally adapted to prolonged periods (1-2 months) of food deprivation (fasting) which result in metabolic changes that may activate HIF-1. However, the effects of prolonged fasting on HIFs are not well defined. We obtained the full-length cDNAs of HIF-1α and HIF-2α, and partial cDNA of HIF-3α in northern elephant seal pups. We also measured mRNA and nuclear protein content of HIF-1α, -2α, -3α in muscle and adipose during prolonged fasting (1, 3, 5 & 7 weeks), along with mRNA expression of HIF-mediated genes, LDH and VEGF. HIF-1α, -2α and -3α are 2595, 2852 and 1842 bp and encode proteins of 823, 864 and 586 amino acid residues with conserved domains needed for their function (bHLH and PAS) and regulation (ODD and TAD). HIF-1α and -2α mRNA expression increased 3- to 5-fold after 7 weeks of fasting in adipose and muscle, whereas HIF-3α increased 5-fold after 7 weeks of fasting in adipose. HIF-2α protein expression was detected in nuclear fractions from adipose and muscle, increasing approximately 2-fold, respectively with fasting. Expression of VEGF increased 3-fold after 7 weeks in adipose and muscle, whereas LDH mRNA expression increased 12-fold after 7 weeks in adipose. While the 3 HIFα genes are expressed in muscle and adipose, only HIF-2α protein was detectable in the nucleus suggesting that HIF-2α may contribute more significantly in the up-regulation of genes involved in the metabolic adaptation during fasting in the elephant seal. Copyright © 2013 Elsevier B.V. All rights reserved.

Nutrient sensing by the mitochondrial transcription machinery dictates oxidative phosphorylation

PubMed Central

Liu, Lijun; Nam, Minwoo; Fan, Wei; Akie, Thomas E.; Hoaglin, David C.; Gao, Guangping; Keaney, John F.; Cooper, Marcus P.

2014-01-01

Sirtuin 3 (SIRT3), an important regulator of energy metabolism and lipid oxidation, is induced in fasted liver mitochondria and implicated in metabolic syndrome. In fasted liver, SIRT3-mediated increases in substrate flux depend on oxidative phosphorylation (OXPHOS), but precisely how OXPHOS meets the challenge of increased substrate oxidation in fasted liver remains unclear. Here, we show that liver mitochondria in fasting mice adapt to the demand of increased substrate oxidation by increasing their OXPHOS efficiency. In response to cAMP signaling, SIRT3 deacetylated and activated leucine-rich protein 130 (LRP130; official symbol, LRPPRC), promoting a mitochondrial transcriptional program that enhanced hepatic OXPHOS. Using mass spectrometry, we identified SIRT3-regulated lysine residues in LRP130 that generated a lysine-to-arginine (KR) mutant of LRP130 that mimics deacetylated protein. Compared with wild-type LRP130 protein, expression of the KR mutant increased mitochondrial transcription and OXPHOS in vitro. Indeed, even when SIRT3 activity was abolished, activation of mitochondrial transcription and OXPHOS by the KR mutant remained robust, further highlighting the contribution of LRP130 deacetylation to increased OXPHOS in fasted liver. These data establish a link between nutrient sensing and mitochondrial transcription that regulates OXPHOS in fasted liver and may explain how fasted liver adapts to increased substrate oxidation. PMID:24430182

Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state

NASA Astrophysics Data System (ADS)

Szmytkowski, Radosław; Łukasik, Grzegorz

2016-09-01

We present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range 1 ⩽ Z ⩽ 137. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities α E L → E L and magnetizabilities (magnetic susceptibilities) χ M L → M L with 1 ⩽ L ⩽ 4 (i.e., the dipole, quadrupole, octupole and hexadecapole ones), the electric-to-magnetic cross-susceptibilities α E L → M(L - 1) with 2 ⩽ L ⩽ 5 and α E L → M(L + 1) with 1 ⩽ L ⩽ 4, the magnetic-to-electric cross-susceptibilities χ M L → E(L - 1) with 2 ⩽ L ⩽ 5 and χ M L → E(L + 1) with 1 ⩽ L ⩽ 4 (it holds that χ M L → E(L ∓ 1) =α E(L ∓ 1) → M L), and the electric-to-toroidal-magnetic cross-susceptibilities α E L → T L with 1 ⩽ L ⩽ 4. Numerical values are computed from general exact analytical formulas, derived by us elsewhere within the framework of the Dirac relativistic quantum mechanics, and involving generalized hypergeometric functions 3F2 of the unit argument.

A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system.

PubMed

Wang, Han; Nakamura, Haruki; Fukuda, Ikuo

2016-03-21

We performed extensive and strict tests for the reliability of the zero-multipole (summation) method (ZMM), which is a method for estimating the electrostatic interactions among charged particles in a classical physical system, by investigating a set of various physical quantities. This set covers a broad range of water properties, including the thermodynamic properties (pressure, excess chemical potential, constant volume/pressure heat capacity, isothermal compressibility, and thermal expansion coefficient), dielectric properties (dielectric constant and Kirkwood-G factor), dynamical properties (diffusion constant and viscosity), and the structural property (radial distribution function). We selected a bulk water system, the most important solvent, and applied the widely used TIP3P model to this test. In result, the ZMM works well for almost all cases, compared with the smooth particle mesh Ewald (SPME) method that was carefully optimized. In particular, at cut-off radius of 1.2 nm, the recommended choices of ZMM parameters for the TIP3P system are α ≤ 1 nm(-1) for the splitting parameter and l = 2 or l = 3 for the order of the multipole moment. We discussed the origin of the deviations of the ZMM and found that they are intimately related to the deviations of the equilibrated densities between the ZMM and SPME, while the magnitude of the density deviations is very small.

Detection of cosmic microwave background structure in a second field with the Cosmic Anisotropy Telescope

NASA Astrophysics Data System (ADS)

Baker, Joanne C.; Grainge, Keith; Hobson, M. P.; Jones, Michael E.; Kneissl, R.; Lasenby, A. N.; O'Sullivan, C. M. M.; Pooley, Guy; Rocha, G.; Saunders, Richard; Scott, P. F.; Waldram, E. M.

1999-10-01

We describe observations at frequencies near 15GHz of the second 2x2deg^2 field imaged with the Cambridge Cosmic Anisotropy Telescope (CAT). After the removal of discrete radio sources, structure is detected in the images on characteristic scales of about half a degree, corresponding to spherical harmonic multipoles in the range l~330-680. A Bayesian analysis confirms that the signal arises predominantly from the cosmic microwave background (CMB) radiation for multipoles in the lower half of this range; the average broad-band power in a bin with centroid l=422 (θ~51arcmin) is estimated to be ΔTT 2.1-0.5+0.4 x10-5. For multipoles centred on l=615 (θ~35arcmin), we find contamination from Galactic emission is significant, and constrain the CMB contribution to the measured power in this bin to be ΔTT<2.0x10^-5 (1σ upper limit). These new results are consistent with the first detection made by CAT in a completely different area of sky. Together with data from other experiments, this new CAT detection adds weight to earlier evidence from CAT for a downturn in the CMB power spectrum on scales smaller than 1deg. Improved limits on the values of H0 and Ω are determined using the new CAT data.

A Method to Teach Age-Specific Demography with Field Grown Rapid Cycling "Brassica rapa" (Wisconsin Fast Plants)

ERIC Educational Resources Information Center

Kelly, Martin G.; Terrana, Sebastian

2004-01-01

In this paper, we demonstrate that rapid cycling "Brassica rapa" (Wisconsin Fast Plants) can be used in inquiry-based, student ecological fieldwork. We are the first to describe age-specific survival for field-grown Fast Plants and identify life history traits associated with individual survival. This experiment can be adapted by educators as a…

Fast ForWord[R]. What Works Clearinghouse Intervention Report

ERIC Educational Resources Information Center

What Works Clearinghouse, 2007

2007-01-01

"Fast ForWord"[R] is a family of computer-based products. According to the developer's web site, the programs help students develop and strengthen the cognitive skills necessary for successful reading and learning. Participants spend 30 to 100 minutes a day, five days a week, for four to 16 weeks with these adaptive exercises. "Fast ForWord[R]…

Chromatin recruitment of activated AMPK drives fasting response genes co-controlled by GR and PPARα.

PubMed

Ratman, Dariusz; Mylka, Viacheslav; Bougarne, Nadia; Pawlak, Michal; Caron, Sandrine; Hennuyer, Nathalie; Paumelle, Réjane; De Cauwer, Lode; Thommis, Jonathan; Rider, Mark H; Libert, Claude; Lievens, Sam; Tavernier, Jan; Staels, Bart; De Bosscher, Karolien

2016-12-15

Adaptation to fasting involves both Glucocorticoid Receptor (GRα) and Peroxisome Proliferator-Activated Receptor α (PPARα) activation. Given both receptors can physically interact we investigated the possibility of a genome-wide cross-talk between activated GR and PPARα, using ChIP- and RNA-seq in primary hepatocytes. Our data reveal extensive chromatin co-localization of both factors with cooperative induction of genes controlling lipid/glucose metabolism. Key GR/PPAR co-controlled genes switched from transcriptional antagonism to cooperativity when moving from short to prolonged hepatocyte fasting, a phenomenon coinciding with gene promoter recruitment of phosphorylated AMP-activated protein kinase (AMPK) and blocked by its pharmacological inhibition. In vitro interaction studies support trimeric complex formation between GR, PPARα and phospho-AMPK. Long-term fasting in mice showed enhanced phosphorylation of liver AMPK and GRα Ser211. Phospho-AMPK chromatin recruitment at liver target genes, observed upon prolonged fasting in mice, is dampened by refeeding. Taken together, our results identify phospho-AMPK as a molecular switch able to cooperate with nuclear receptors at the chromatin level and reveal a novel adaptation mechanism to prolonged fasting. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Continuous-time adaptive critics.

PubMed

Hanselmann, Thomas; Noakes, Lyle; Zaknich, Anthony

2007-05-01

A continuous-time formulation of an adaptive critic design (ACD) is investigated. Connections to the discrete case are made, where backpropagation through time (BPTT) and real-time recurrent learning (RTRL) are prevalent. Practical benefits are that this framework fits in well with plant descriptions given by differential equations and that any standard integration routine with adaptive step-size does an adaptive sampling for free. A second-order actor adaptation using Newton's method is established for fast actor convergence for a general plant and critic. Also, a fast critic update for concurrent actor-critic training is introduced to immediately apply necessary adjustments of critic parameters induced by actor updates to keep the Bellman optimality correct to first-order approximation after actor changes. Thus, critic and actor updates may be performed at the same time until some substantial error build up in the Bellman optimality or temporal difference equation, when a traditional critic training needs to be performed and then another interval of concurrent actor-critic training may resume.

Adaptive refinement tools for tetrahedral unstructured grids

NASA Technical Reports Server (NTRS)

Pao, S. Paul (Inventor); Abdol-Hamid, Khaled S. (Inventor)

2011-01-01

An exemplary embodiment providing one or more improvements includes software which is robust, efficient, and has a very fast run time for user directed grid enrichment and flow solution adaptive grid refinement. All user selectable options (e.g., the choice of functions, the choice of thresholds, etc.), other than a pre-marked cell list, can be entered on the command line. The ease of application is an asset for flow physics research and preliminary design CFD analysis where fast grid modification is often needed to deal with unanticipated development of flow details.

Optimal and adaptive methods of processing hydroacoustic signals (review)

NASA Astrophysics Data System (ADS)

Malyshkin, G. S.; Sidel'nikov, G. B.

2014-09-01

Different methods of optimal and adaptive processing of hydroacoustic signals for multipath propagation and scattering are considered. Advantages and drawbacks of the classical adaptive (Capon, MUSIC, and Johnson) algorithms and "fast" projection algorithms are analyzed for the case of multipath propagation and scattering of strong signals. The classical optimal approaches to detecting multipath signals are presented. A mechanism of controlled normalization of strong signals is proposed to automatically detect weak signals. The results of simulating the operation of different detection algorithms for a linear equidistant array under multipath propagation and scattering are presented. An automatic detector is analyzed, which is based on classical or fast projection algorithms, which estimates the background proceeding from median filtering or the method of bilateral spatial contrast.

Asynchronous multilevel adaptive methods for solving partial differential equations on multiprocessors - Performance results

NASA Technical Reports Server (NTRS)

Mccormick, S.; Quinlan, D.

1989-01-01

The fast adaptive composite grid method (FAC) is an algorithm that uses various levels of uniform grids (global and local) to provide adaptive resolution and fast solution of PDEs. Like all such methods, it offers parallelism by using possibly many disconnected patches per level, but is hindered by the need to handle these levels sequentially. The finest levels must therefore wait for processing to be essentially completed on all the coarser ones. A recently developed asynchronous version of FAC, called AFAC, completely eliminates this bottleneck to parallelism. This paper describes timing results for AFAC, coupled with a simple load balancing scheme, applied to the solution of elliptic PDEs on an Intel iPSC hypercube. These tests include performance of certain processes necessary in adaptive methods, including moving grids and changing refinement. A companion paper reports on numerical and analytical results for estimating convergence factors of AFAC applied to very large scale examples.

Proposed Advanced Reactor Adaptation of the Standard Review Plan NUREG-0800 Chapter 4 (Reactor) for Sodium-Cooled Fast Reactors and Modular High-Temperature Gas-Cooled Reactors

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

Belles, Randy; Poore, III, Willis P.; Brown, Nicholas R.

2017-03-01

This report proposes adaptation of the previous regulatory gap analysis in Chapter 4 (Reactor) of NUREG 0800, Standard Review Plan (SRP) for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR [Light Water Reactor] Edition. The proposed adaptation would result in a Chapter 4 review plan applicable to certain advanced reactors. This report addresses two technologies: the sodium-cooled fast reactor (SFR) and the modular high temperature gas-cooled reactor (mHTGR). SRP Chapter 4, which addresses reactor components, was selected for adaptation because of the possible significant differences in advanced non-light water reactor (non-LWR) technologies compared with the current LWR-basedmore » description in Chapter 4. SFR and mHTGR technologies were chosen for this gap analysis because of their diverse designs and the availability of significant historical design detail.« less

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on γ p → π N multipoles

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Beck, R.; Döring, M.; Gottschall, M.; Hartmann, J.; Kashevarov, V.; Klempt, E.; Meißner, Ulf-G.; Nikonov, V.; Ostrick, M.; Rönchen, D.; Sarantsev, A.; Strakovsky, I.; Thiel, A.; Tiator, L.; Thoma, U.; Workman, R.; Wunderlich, Y.

2016-09-01

New data on pion-photoproduction off the proton have been included in the partial-wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Jülich-Bonn. All reproduce the recent new data well: the double-polarization data for E, G, H, P and T in γ p→ π0p from ELSA, the beam asymmetry Σ for γ p→ π0p and π+n from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data Σ for γ p→ π0p from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. The mutual agreement is improved considerably but still far from being perfect.

N* resonances from KΛ amplitudes in sliced bins in energy

NASA Astrophysics Data System (ADS)

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

2017-12-01

The two reactions γ p→ K+Λ and π- p→ K0Λ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9 GeV with quantum numbers JP = 1/2+, 3/2+, 1/2-, 3/2-, 5/2-.

Cs 62 DJ Rydberg-atom macrodimers formed by long-range multipole interaction

NASA Astrophysics Data System (ADS)

Han, Xiaoxuan; Bai, Suying; Jiao, Yuechun; Hao, Liping; Xue, Yongmei; Zhao, Jianming; Jia, Suotang; Raithel, Georg

2018-03-01

Long-range macrodimers formed by D -state cesium Rydberg atoms are studied in experiments and calculations. Cesium [62DJ]2 Rydberg-atom macrodimers, bonded via long-range multipole interaction, are prepared by two-color photoassociation in a cesium atom trap. The first color (pulse A) resonantly excites seed Rydberg atoms, while the second (pulse B, detuned by the molecular binding energy) resonantly excites the Rydberg-atom macrodimers below the [62DJ]2 asymptotes. The molecules are measured by extraction of autoionization products and Rydberg-atom electric-field ionization, and ion detection. Molecular spectra are compared with calculations of adiabatic molecular potentials. From the dependence of the molecular signal on the detection delay time, the lifetime of the molecules is estimated to be 3 -6 μ s .

Oxidation of gallium arsenide in a plasma multipole device. Study of the MOS structures obtained

NASA Technical Reports Server (NTRS)

Gourrier, S.; Mircea, A.; Simondet, F.

1980-01-01

The oxygen plasma oxidation of GaAs was studied in order to obtain extremely high frequency responses with MOS devices. In the multipole system a homogeneous oxygen plasma of high density can easily be obtained in a large volume. This system is thus convenient for the study of plasma oxidation of GaAs. The electrical properties of the MOS diodes obtained in this way are controlled by interface states, located mostly in the upper half of the band gap where densities in the 10 to the 13th power/(sq cm) (eV) range can be estimated. Despite these interface states the possibility of fabricating MOSFET transistors working mostly in the depletion mode for a higher frequency cut-off still exists.

Final-state QED multipole radiation in antenna parton showers

NASA Astrophysics Data System (ADS)

Kleiss, Ronald; Verheyen, Rob

2017-11-01

We present a formalism for a fully coherent QED parton shower. The complete multipole structure of photonic radiation is incorporated in a single branching kernel. The regular on-shell 2 → 3 kinematic picture is kept intact by dividing the radiative phase space into sectors, allowing for a definition of the ordering variable that is similar to QCD antenna showers. A modified version of the Sudakov veto algorithm is discussed that increases performance at the cost of the introduction of weighted events. Due to the absence of a soft singularity, the formalism for photon splitting is very similar to the QCD analogon of gluon splitting. However, since no color structure is available to guide the selection of a spectator, a weighted selection procedure from all available spectators is introduced.

Symmetry breaking in linear multipole traps

NASA Astrophysics Data System (ADS)

Pedregosa-Gutierrez, J.; Champenois, C.; Kamsap, M. R.; Hagel, G.; Houssin, M.; Knoop, M.

2018-03-01

Radiofrequency multipole traps have been used for some decades in cold collision experiments and are gaining interest for precision spectroscopy due to their low micromotion contribution and the predicted unusual cold-ion structures. However, the experimental realisation is not yet fully controlled, and open questions in the operation of these devices remain. We present experimental observations of symmetry breaking of the trapping potential in a macroscopic octupole trap with laser-cooled ions. Numerical simulations have been performed in order to explain the appearance of additional local potential minima and be able to control them in a next step. We characterise these additional potential minima, in particular with respect to their position, their potential depth and their probability of population as a function of the radial and angular displacement of the trapping rods.

Prospects for Ultra-Stable Timekeeping with Sealed Vacuum Operation in Multi-Pole Linear Ion Trap Standards

NASA Technical Reports Server (NTRS)

Burt, Eric A.; Tjoelker, R. L.

2007-01-01

A recent long-term comparison between the compensated multi-pole Linear Ion Trap Standard (LITS) and the laser-cooled primary standards via GPS carrier phase time transfer showed a deviation of less than 2.7x10(exp -17)/day. A subsequent evaluation of potential drift contributors in the LITS showed that the leading candidates are fluctuations in background gases and the neon buffer gas. The current vacuum system employs a "flow-through" turbomolecular pump and a diaphragm fore pump. Here we consider the viability of a "sealed" vacuum system pumped by a non-evaporable getter for long-term ultra-stable clock operation. Initial tests suggests that both further stability improvement and longer mean-time-between-maintenance can be achieved using this approach

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).

Optical Radiation from Integer Quantum Hall States in Dirac Materials

NASA Astrophysics Data System (ADS)

Gullans, Michael; Taylor, Jacob; Ghaemi, Pouyan; Hafezi, Mohammad

Quantum Hall systems exhibit topologically protected edge states, which can have a macroscopic spatial extent. Such edge states provide a unique opportunity to study a quantum emitter whose size far exceeds the wavelength of emitted light. To better understand this limit, we theoretically characterize the optical radiation from integer quantum Hall states in two-dimensional Dirac materials. We show that the scattered light from the bulk reflects the spatial profile of the wavefunctions, enabling spatial imaging of the disorder landscape. We find that the radiation from the edge states are characterized by the presence of large multipole moments in the far-field. This multipole radiation arises from the transfer of angular momentum from the electrons into the scattered light, enabling the generation of coherent light with high orbital angular momentum.

Generalization of the optical theorem for an arbitrary multipole in the presence of a transparent half-space

NASA Astrophysics Data System (ADS)

Eremin, Yu. A.; Sveshnikov, A. G.

2017-07-01

The optical theorem is generalized to the case of excitation of a local inhomogeneity introduced in a transparent substrate by a multipole of arbitrary order. It is shown that, to calculate the generalized extinction cross section, it is sufficient to calculate the derivatives of the scattered field at a single point by adding a constant and a definite integral. Apart from general scientific interest, the proposed generalization makes it possible to calculate the absorption cross section by subtracting the scattering cross section from the extinction cross section. The latter fact is important, because the scattered field in the far zone contains no Sommerfeld integrals. In addition, the proposed generalization allows one to test computer modules for the case where a lossless inhomogeneity is considered.

A Parallel Implementation of Multilevel Recursive Spectral Bisection for Application to Adaptive Unstructured Meshes. Chapter 1

NASA Technical Reports Server (NTRS)

Barnard, Stephen T.; Simon, Horst; Lasinski, T. A. (Technical Monitor)

1994-01-01

The design of a parallel implementation of multilevel recursive spectral bisection is described. The goal is to implement a code that is fast enough to enable dynamic repartitioning of adaptive meshes.

Development of the Fully Adaptive Storm Tide (FAST) Model for hurricane induced storm surges and associated inundation

NASA Astrophysics Data System (ADS)

Teng, Y. C.; Kelly, D.; Li, Y.; Zhang, K.

2016-02-01

A new state-of-the-art model (the Fully Adaptive Storm Tide model, FAST) for the prediction of storm surges over complex landscapes is presented. The FAST model is based on the conservation form of the full non-linear depth-averaged long wave equations. The equations are solved via an explicit finite volume scheme with interfacial fluxes being computed via Osher's approximate Riemann solver. Geometric source terms are treated in a high order manner that is well-balanced. The numerical solution technique has been chosen to enable the accurate simulation of wetting and drying over complex topography. Another important feature of the FAST model is the use of a simple underlying Cartesian mesh with tree-based static and dynamic adaptive mesh refinement (AMR). This permits the simulation of unsteady flows over varying landscapes (including localized features such as canals) by locally increasing (or relaxing) grid resolution in a dynamic fashion. The use of (dynamic) AMR lowers the computational cost of the storm surge model whilst retaining high resolution (and thus accuracy) where and when it is required. In additional, the FAST model has been designed to execute in a parallel computational environment with localized time-stepping. The FAST model has already been carefully verified against a series of benchmark type problems (Kelly et al. 2015). Here we present two simulations of the storm tide due to Hurricane Ike(2008) and Hurricane Sandy (2012). The model incorporates high resolution LIDAR data for the major portion of the New York City. Results compare favorably with water elevations measured by NOAA tidal gauges, by mobile sensors deployed and high water marks collected by the USGS.

Spatial and temporal aspects of chromatic adaptation and their functional significance for colour constancy.

PubMed

Werner, Annette

2014-11-01

Illumination in natural scenes changes at multiple temporal and spatial scales: slow changes in global illumination occur in the course of a day, and we encounter fast and localised illumination changes when visually exploring the non-uniform light field of three-dimensional scenes; in addition, very long-term chromatic variations may come from the environment, like for example seasonal changes. In this context, I consider the temporal and spatial properties of chromatic adaptation and discuss their functional significance for colour constancy in three-dimensional scenes. A process of fast spatial tuning in chromatic adaptation is proposed as a possible sensory mechanism for linking colour constancy to the spatial structure of a scene. The observed middlewavelength selectivity of this process is particularly suitable for adaptation to the mean chromaticity and the compensation of interreflections in natural scenes. Two types of sensory colour constancy are distinguished, based on the functional differences of their temporal and spatial scales: a slow type, operating at a global scale for the compensation of the ambient illumination; and a fast colour constancy, which is locally restricted and well suited to compensate region-specific variations in the light field of three dimensional scenes. Copyright © 2014 Elsevier B.V. All rights reserved.

Adaptive polynomial chaos techniques for uncertainty quantification of a gas cooled fast reactor transient

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

Perko, Z.; Gilli, L.; Lathouwers, D.

2013-07-01

Uncertainty quantification plays an increasingly important role in the nuclear community, especially with the rise of Best Estimate Plus Uncertainty methodologies. Sensitivity analysis, surrogate models, Monte Carlo sampling and several other techniques can be used to propagate input uncertainties. In recent years however polynomial chaos expansion has become a popular alternative providing high accuracy at affordable computational cost. This paper presents such polynomial chaos (PC) methods using adaptive sparse grids and adaptive basis set construction, together with an application to a Gas Cooled Fast Reactor transient. Comparison is made between a new sparse grid algorithm and the traditionally used techniquemore » proposed by Gerstner. An adaptive basis construction method is also introduced and is proved to be advantageous both from an accuracy and a computational point of view. As a demonstration the uncertainty quantification of a 50% loss of flow transient in the GFR2400 Gas Cooled Fast Reactor design was performed using the CATHARE code system. The results are compared to direct Monte Carlo sampling and show the superior convergence and high accuracy of the polynomial chaos expansion. Since PC techniques are easy to implement, they can offer an attractive alternative to traditional techniques for the uncertainty quantification of large scale problems. (authors)« less

Insulin and GLP-1 infusions demonstrate the onset of adipose-specific insulin resistance in a large fasting mammal: potential glucogenic role for GLP-1.

PubMed

Viscarra, Jose A; Rodriguez, Ruben; Vazquez-Medina, Jose Pablo; Lee, Andrew; Tift, Michael S; Tavoni, Stephen K; Crocker, Daniel E; Ortiz, Rudy M

2013-08-01

Prolonged food deprivation increases lipid oxidation and utilization, which may contribute to the onset of the insulin resistance associated with fasting. Because insulin resistance promotes the preservation of glucose and oxidation of fat, it has been suggested to be an adaptive response to food deprivation. However, fasting mammals exhibit hypoinsulinemia, suggesting that the insulin resistance-like conditions they experience may actually result from reduced pancreatic sensitivity to glucose/capacity to secrete insulin. To determine whether fasting results in insulin resistance or in pancreatic dysfunction, we infused early- and late-fasted seals (naturally adapted to prolonged fasting) with insulin (0.065 U/kg), and a separate group of late-fasted seals with low (10 pM/kg) or high (100 pM/kg) dosages of glucagon-like peptide-1 (GLP-1) immediately following a glucose bolus (0.5g/kg), and measured the systemic and cellular responses. Because GLP-1 facilitates glucose-stimulated insulin secretion, these infusions provide a method to assess pancreatic insulin-secreting capacity. Insulin infusions increased the phosphorylation of insulin receptor and Akt in adipose and muscle of early and late fasted seals; however the timing of the signaling response was blunted in adipose of late fasted seals. Despite the dose-dependent increases in insulin and increased glucose clearance (high dose), both GLP-1 dosages produced increases in plasma cortisol and glucagon, which may have contributed to the glucogenic role of GLP-1. Results suggest that fasting induces adipose-specific insulin resistance in elephant seal pups, while maintaining skeletal muscle insulin sensitivity, and therefore suggests that the onset of insulin resistance in fasting mammals is an evolved response to cope with prolonged food deprivation.

Fast correction approach for wavefront sensorless adaptive optics based on a linear phase diversity technique.

PubMed

Yue, Dan; Nie, Haitao; Li, Ye; Ying, Changsheng

2018-03-01

Wavefront sensorless (WFSless) adaptive optics (AO) systems have been widely studied in recent years. To reach optimum results, such systems require an efficient correction method. This paper presents a fast wavefront correction approach for a WFSless AO system mainly based on the linear phase diversity (PD) technique. The fast closed-loop control algorithm is set up based on the linear relationship between the drive voltage of the deformable mirror (DM) and the far-field images of the system, which is obtained through the linear PD algorithm combined with the influence function of the DM. A large number of phase screens under different turbulence strengths are simulated to test the performance of the proposed method. The numerical simulation results show that the method has fast convergence rate and strong correction ability, a few correction times can achieve good correction results, and can effectively improve the imaging quality of the system while needing fewer measurements of CCD data.

Decentralized Estimation and Vision-based Guidance of Fast Autonomous Systems with Guaranteed Performance in Uncertain Environments

DTIC Science & Technology

2013-04-22

Following for Unmanned Aerial Vehicles Using L1 Adaptive Augmentation of Commercial Autopilots, Journal of Guidance, Control, and Dynamics, (3 2010): 0...Naira Hovakimyan. L1 Adaptive Controller for MIMO system with Unmatched Uncertainties using Modi?ed Piecewise Constant Adaptation Law, IEEE 51st...adaptive input nominal input with  Nominal input L1 ‐based control generator  This L1 adaptive control architecture uses data from the reference model

Fasting: Molecular Mechanisms and Clinical Applications

PubMed Central

Longo, Valter D.; Mattson, Mark P.

2014-01-01

Fasting has been practiced for millennia, but only recently studies have shed light on its role in adaptive cellular responses that reduce oxidative damage and inflammation, optimize energy metabolism and bolster cellular protection. In lower eukaryotes, chronic fasting extends longevity in part by reprogramming metabolic and stress resistance pathways. In rodents intermittent or periodic fasting protects against diabetes, cancers, heart disease and neurodegeneration, while in humans it helps reduce obesity, hypertension, asthma and rheumatoid arthritis. Thus, fasting has the potential to delay aging and help prevent and treat diseases while minimizing the side effects caused by chronic dietary interventions. PMID:24440038

Fast animation of lightning using an adaptive mesh.

PubMed

Kim, Theodore; Lin, Ming C

2007-01-01

We present a fast method for simulating, animating, and rendering lightning using adaptive grids. The "dielectric breakdown model" is an elegant algorithm for electrical pattern formation that we extend to enable animation of lightning. The simulation can be slow, particularly in 3D, because it involves solving a large Poisson problem. Losasso et al. recently proposed an octree data structure for simulating water and smoke, and we show that this discretization can be applied to the problem of lightning simulation as well. However, implementing the incomplete Cholesky conjugate gradient (ICCG) solver for this problem can be daunting, so we provide an extensive discussion of implementation issues. ICCG solvers can usually be accelerated using "Eisenstat's trick," but the trick cannot be directly applied to the adaptive case. Fortunately, we show that an "almost incomplete Cholesky" factorization can be computed so that Eisenstat's trick can still be used. We then present a fast rendering method based on convolution that is competitive with Monte Carlo ray tracing but orders of magnitude faster, and we also show how to further improve the visual results using jittering.

Hepatic IRE1α regulates fasting-induced metabolic adaptive programs through the XBP1s-PPARα axis signalling.

PubMed

Shao, Mengle; Shan, Bo; Liu, Yang; Deng, Yiping; Yan, Cheng; Wu, Ying; Mao, Ting; Qiu, Yifu; Zhou, Yubo; Jiang, Shan; Jia, Weiping; Li, Jingya; Li, Jia; Rui, Liangyou; Yang, Liu; Liu, Yong

2014-03-27

Although the mammalian IRE1α-XBP1 branch of the cellular unfolded protein response has been implicated in glucose and lipid metabolism, the exact metabolic role of IRE1α signalling in vivo remains poorly understood. Here we show that hepatic IRE1α functions as a nutrient sensor that regulates the metabolic adaptation to fasting. We find that prolonged deprivation of food or consumption of a ketogenic diet activates the IRE1α-XBP1 pathway in mouse livers. Hepatocyte-specific abrogation of Ire1α results in impairment of fatty acid β-oxidation and ketogenesis in the liver under chronic fasting or ketogenic conditions, leading to hepatosteatosis; liver-specific restoration of XBP1s reverses the defects in IRE1α null mice. XBP1s directly binds to and activates the promoter of PPARα, the master regulator of starvation responses. Hence, our results demonstrate that hepatic IRE1α promotes the adaptive shift of fuel utilization during starvation by stimulating mitochondrial β-oxidation and ketogenesis through the XBP1s-PPARα axis.

Investigation and Optimization of Blade Tip Winglets Using an Implicit Free Wake Vortex Method

NASA Astrophysics Data System (ADS)

Lawton, Stephen; Crawford, Curran

2014-06-01

Novel outer-blade geometries such as tip winglets can increase the aerodynamic power that can be extracted from the wind by tailoring the relative position and strengths of trailed vorticity. This design space is explored using both parameter studies and gradient-based optimization, with the aerodynamic analysis carried out using LibAero, a free wake vortex-based code introduced in previous work. The starting design is the NREL 5MW reference turbine, which allows comparison of the aerodynamic simulation for the unmodified blade with other codes. The code uses a Prandtl-Weissinger lifting line model to represent the blade, and vortex filaments as the flow elements. A fast multipole method is implemented to accelerate the influence calculations and reduce the computational cost. This results in higher fidelity aerodynamic simulations that can capture the effects of novel geometries while maintaining sufficiently fast run-times (on the order of an hour) to allow the use of optimization. Gradients of the objective function with respect to design variables are calculated using the complex step method which is accurate and efficient. Since the vortex structure behind the rotor is being resolved in detail, insight is also gained into the mechanisms by which these new blade designs affect performance. It is found that adding winglets can increase the power extracted from the wind by around 2%, with a similar increase in thrust. It is also possible to create a winglet that slightly lowers the thrust while maintaining very similar power compared to the standard straight blade.

Mid-humerus adaptation in fast pitch softballers and the impact of throwing mechanics

PubMed Central

Bogenschutz, Elizabeth D.; Smith, Heather D.; Warden, Stuart J.

2011-01-01

Purpose Throwing is a vigorous activity that generates large internal loads. There is limited evidence of the effect of these loads on bone adaptation. The aim of this study was to investigate the: 1) magnitude of bone adaptation within the midshaft humerus of female fast-pitch softball players and 2) influence of throwing mechanics (windmill vs. overhand throwing) on the magnitude of adaptation. Methods Midshaft humeral bone mass, structure and estimated strength were assessed via peripheral quantitative computed tomography in fast-pitch softball players (throwers; n=15) and matched controls (controls; n=15). The effect of throwing was examined by comparing dominant-to-nondominant differences in throwers to controls, while the influence of mechanics was determined by comparing dominant-to-nondominant differences in throwers who primarily play as pitcher (windmill thrower), catcher (overhand thrower) or fielder (overhand thrower). Results Throwers had greater dominant-to-nondominant difference in midshaft humeral bone mass, structure and estimated strength relative to controls (all P<0.05). The largest effect was for estimated torsional strength with throwers having a mean dominant-to-nondominant difference of 22.5% (range, 6.7% to 43.9%) compared to 4.4% (range, -8.3% to 17.5%) in controls (P<0.001). Throwing mechanics appeared to influence the magnitude of skeletal adaptation, with overhand throwers having more than double dominant-to-nondominant difference in midshaft humeral bone mass, structure and estimated strength than windmill throwers (all P<0.05). Conclusion Throwing induces substantial skeletal adaptation at the midshaft humerus of the dominant upper extremity. Throwing mechanics appears to the influence the magnitude of adaptation as catchers and fielders (overhand throwers) had twice as much adaptation as pitchers (windmill throwers). The latter finding may have implications for skeletal injury risk at the midshaft humerus in throwing athletes. PMID:21311354

LINEAR AND NONLINEAR CORRECTIONS IN THE RHIC INTERACTION REGIONS.

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

PILAT,F.; CAMERON,P.; PTITSYN,V.

2002-06-02

A method has been developed to measure operationally the linear and non-linear effects of the interaction region triplets, that gives access to the multipole content through the action kick, by applying closed orbit bumps and analysing tune and orbit shifts. This technique has been extensively tested and used during the RHIC operations in 2001. Measurements were taken at 3 different interaction regions and for different focusing at the interaction point. Non-linear effects up to the dodecapole have been measured as well as the effects of linear, sextupolar and octupolar corrections. An analysis package for the data processing has been developedmore » that through a precise fit of the experimental tune shift data (measured by a phase lock loop technique to better than 10{sup -5} resolution) determines the multipole content of an IR triplet.« less

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on $$\\gamma p \\rightarrow \\pi N$$ multipoles

DOE PAGES

Anisovich, A. V.; Beck, R.; Döring, M.; ...

2016-09-16

New data on pion-photoproduction off the proton have been included in the partial wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Julich-Bonn. All reproduce the recent new data well: the double polarization data for E, G, H, P and T inmore » $$\\gamma p \\to \\pi^0 p$$ from ELSA, the beam asymmetry $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ and $$\\pi^+ n$$ from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. Lastly, the mutual agreement is improved considerably but still far from being perfect.« less

The impact of new polarization data from Bonn, Mainz and Jefferson Laboratory on $$\\gamma p \\rightarrow \\pi N$$ multipoles

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

Anisovich, A. V.; Beck, R.; Döring, M.

New data on pion-photoproduction off the proton have been included in the partial wave analyses Bonn-Gatchina and SAID and in the dynamical coupled-channel approach Julich-Bonn. All reproduce the recent new data well: the double polarization data for E, G, H, P and T inmore » $$\\gamma p \\to \\pi^0 p$$ from ELSA, the beam asymmetry $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ and $$\\pi^+ n$$ from Jefferson Laboratory, and the precise new differential cross section and beam asymmetry data $$\\Sigma$$ for $$\\gamma p \\to \\pi^0 p$$ from MAMI. The new fit results for the multipoles are compared with predictions not taking into account the new data. Lastly, the mutual agreement is improved considerably but still far from being perfect.« less

Effects on the CMB from compactification before inflation

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

Kontou, Eleni-Alexandra; Blanco-Pillado, Jose J.; Hertzberg, Mark P.

2017-04-01

Many theories beyond the Standard Model include extra dimensions, though these have yet to be directly observed. In this work we consider the possibility of a compactification mechanism which both allows extra dimensions and is compatible with current observations. This compactification is predicted to leave a signature on the CMB by altering the amplitude of the low l multipoles, dependent on the amount of inflation. Recently discovered CMB anomalies at low multipoles may be evidence for this. In our model we assume the spacetime is the product of a four-dimensional spacetime and flat extra dimensions. Before the compactification, both themore » four-dimensional spacetime and the extra dimensions can either be expanding or contracting independently. Taking into account physical constraints, we explore the observational consequences and the plausibility of these different models.« less

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

Ghosh, Shamik; Kothari, Rahul; Jain, Pankaj

We propose a dipole modulation model for the Cosmic Microwave Background Radiation (CMBR) polarization field. We show that the model leads to correlations between l and l+1 multipoles, exactly as in the case of temperature. We obtain results for the case of TE, EE and BB correlations. An anisotropic or inhomogeneous model of primordial power spectrum which leads to such correlations in temperature field also predicts similar correlations in CMBR polarization. We analyze the CMBR temperature and polarization data in order to extract the signal of these correlation between l and l+1 multipoles. Our results for the case of temperaturemore » using the latest PLANCK data agree with those obtained by an earlier analysis. A detailed study of the correlation in the polarization data is not possible at present. Hence we restrict ourselves to a preliminary investigation in this case.« less

Threshold π 0 Photoproduction on Transverse Polarised Protons at MAMI

DOE PAGES

Schumann, S.

2015-09-14

Polarisation-dependent differential cross sections σ T associated with the target asymmetry T have been measured for the reaction γ p -→ p π 0 with transverse target polarisation from π 0 threshold up to photon energies of 190 MeV. Additionally, the data were obtained using a frozen-spin butanol target with the Crystal Ball / TAPS detector set-up and the Glasgow photon tagging system at the Mainz Microtron MAMI. Our results for σ T have been used in combination with our previous measurements of the unpolarised cross section σ 0 and the beam asymmetry Σ for a model-independent determination of Smore » and P wave multipoles in the π 0 threshold region, which includes for the first time a direct determination of the imaginary part of the E 0+ multipole.« less

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.

Power Spectrum Analysis of Polarized Emission from the Canadian Galactic Plane Survey

NASA Astrophysics Data System (ADS)

Stutz, R. A.; Rosolowsky, E. W.; Kothes, R.; Landecker, T. L.

2014-05-01

Angular power spectra are calculated and presented for the entirety of the Canadian Galactic Plane Survey polarization data set at 1.4 GHz covering an area of 1060 deg2. The data analyzed are a combination of data from the 100 m Effelsberg Telescope, the 26 m Telescope at the Dominion Radio Astrophysical Observatory, and the Synthesis Telescope at the Dominion Radio Astrophysical Observatory, allowing all scales to be sampled down to arcminute resolution. The resulting power spectra cover multipoles from l ≈ 60 to l ≈ 104 and display both a power-law component at low multipoles and a flattening at high multipoles from point sources. We fit the power spectrum with a model that accounts for these components and instrumental effects. The resulting power-law indices are found to have a mode of 2.3, similar to previous results. However, there are significant regional variations in the index, defying attempts to characterize the emission with a single value. The power-law index is found to increase away from the Galactic plane. A transition from small-scale to large-scale structure is evident at b = 9°, associated with the disk-halo transition in a 15° region around l = 108°. Localized variations in the index are found toward H II regions and supernova remnants, but the interpretation of these variations is inconclusive. The power in the polarized emission is anticorrelated with bright thermal emission (traced by Hα emission) indicating that the thermal emission depolarizes background synchrotron emission.

Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

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

Salam, A., E-mail: salama@wfu.edu

2013-12-28

The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-orderedmore » diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.« less

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

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.

Fast Image Restoration for Spatially Varying Defocus Blur of Imaging Sensor

PubMed Central

Cheong, Hejin; Chae, Eunjung; Lee, Eunsung; Jo, Gwanghyun; Paik, Joonki

2015-01-01

This paper presents a fast adaptive image restoration method for removing spatially varying out-of-focus blur of a general imaging sensor. After estimating the parameters of space-variant point-spread-function (PSF) using the derivative in each uniformly blurred region, the proposed method performs spatially adaptive image restoration by selecting the optimal restoration filter according to the estimated blur parameters. Each restoration filter is implemented in the form of a combination of multiple FIR filters, which guarantees the fast image restoration without the need of iterative or recursive processing. Experimental results show that the proposed method outperforms existing space-invariant restoration methods in the sense of both objective and subjective performance measures. The proposed algorithm can be employed to a wide area of image restoration applications, such as mobile imaging devices, robot vision, and satellite image processing. PMID:25569760

Complex interplay of body condition, life history, and prevailing environment shapes immune defenses of garter snakes in the wild.

PubMed

Palacios, Maria G; Cunnick, Joan E; Bronikowski, Anne M

2013-01-01

The immunocompetence "pace-of-life" hypothesis proposes that fast-living organisms should invest more in innate immune defenses and less in adaptive defenses compared to slow-living ones. We found some support for this hypothesis in two life-history ecotypes of the snake Thamnophis elegans; fast-living individuals show higher levels of innate immunity compared to slow-living ones. Here, we optimized a lymphocyte proliferation assay to assess the complementary prediction that slow-living snakes should in turn show stronger adaptive defenses. We also assessed the "environmental" hypothesis that predicts that slow-living snakes should show lower levels of immune defenses (both innate and adaptive) given the harsher environment they live in. Proliferation of B- and T-lymphocytes of free-living individuals was on average higher in fast-living than slow-living snakes, opposing the pace-of-life hypothesis and supporting the environmental hypothesis. Bactericidal capacity of plasma, an index of innate immunity, did not differ between fast-living and slow-living snakes in this study, contrasting the previously documented pattern and highlighting the importance of annual environmental conditions as determinants of immune profiles of free-living animals. Our results do not negate a link between life history and immunity, as indicated by ecotype-specific relationships between lymphocyte proliferation and body condition, but suggest more subtle nuances than those currently proposed.

Fast-flowering mini-maize: seed to seed in 60 days

USDA-ARS?s Scientific Manuscript database

Two lines of Zea mays were developed as a short-generation model for maize. The Fast-Flowering Mini-Maize (FFMM) lines A and B are robust inbred lines with a significantly shorter generation time, much smaller stature, and better greenhouse adaptation than traditional maize varieties. Five generatio...

Resolving dispersion and induction components for polarisable molecular simulations of ionic liquids

NASA Astrophysics Data System (ADS)

Pádua, Agílio A. H.

2017-05-01

One important development in interaction potential models, or atomistic force fields, for molecular simulation is the inclusion of explicit polarisation, which represents the induction effects of charged or polar molecules on polarisable electron clouds. Polarisation can be included through fluctuating charges, induced multipoles, or Drude dipoles. This work uses Drude dipoles and is focused on room-temperature ionic liquids, for which fixed-charge models predict too slow dynamics. The aim of this study is to devise a strategy to adapt existing non-polarisable force fields upon addition of polarisation, because induction was already contained to an extent, implicitly, due to parametrisation against empirical data. Therefore, a fraction of the van der Waals interaction energy should be subtracted so that the Lennard-Jones terms only account for dispersion and the Drude dipoles for induction. Symmetry-adapted perturbation theory is used to resolve the dispersion and induction terms in dimers and to calculate scaling factors to reduce the Lennard-Jones terms from the non-polarisable model. Simply adding Drude dipoles to an existing fixed-charge model already improves the prediction of transport properties, increasing diffusion coefficients, and lowering the viscosity. Scaling down the Lennard-Jones terms leads to still faster dynamics and densities that match experiment extremely well. The concept developed here improves the overall prediction of density and transport properties and can be adapted to other models and systems. In terms of microscopic structure of the ionic liquids, the inclusion of polarisation and the down-scaling of Lennard-Jones terms affect only slightly the ordering of the first shell of counterions, leading to small decreases in coordination numbers. Remarkably, the effect of polarisation is major beyond first neighbours, significantly weakening spatial correlations, a structural effect that is certainly related to the faster dynamics of polarisable models.

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

Kılıç, Emre, E-mail: emre.kilic@tum.de; Eibert, Thomas F.

An approach combining boundary integral and finite element methods is introduced for the solution of three-dimensional inverse electromagnetic medium scattering problems. Based on the equivalence principle, unknown equivalent electric and magnetic surface current densities on a closed surface are utilized to decompose the inverse medium problem into two parts: a linear radiation problem and a nonlinear cavity problem. The first problem is formulated by a boundary integral equation, the computational burden of which is reduced by employing the multilevel fast multipole method (MLFMM). Reconstructed Cauchy data on the surface allows the utilization of the Lorentz reciprocity and the Poynting's theorems.more » Exploiting these theorems, the noise level and an initial guess are estimated for the cavity problem. Moreover, it is possible to determine whether the material is lossy or not. In the second problem, the estimated surface currents form inhomogeneous boundary conditions of the cavity problem. The cavity problem is formulated by the finite element technique and solved iteratively by the Gauss–Newton method to reconstruct the properties of the object. Regularization for both the first and the second problems is achieved by a Krylov subspace method. The proposed method is tested against both synthetic and experimental data and promising reconstruction results are obtained.« less

Volumetric imaging of fast biological dynamics in deep tissue via wavefront engineering

NASA Astrophysics Data System (ADS)

Kong, Lingjie; Tang, Jianyong; Cui, Meng

2016-03-01

To reveal fast biological dynamics in deep tissue, we combine two wavefront engineering methods that were developed in our laboratory, namely optical phase-locked ultrasound lens (OPLUL) based volumetric imaging and iterative multiphoton adaptive compensation technique (IMPACT). OPLUL is used to generate oscillating defocusing wavefront for fast axial scanning, and IMPACT is used to compensate the wavefront distortions for deep tissue imaging. We show its promising applications in neuroscience and immunology.

Fasting: molecular mechanisms and clinical applications.

PubMed

Longo, Valter D; Mattson, Mark P

2014-02-04

Fasting has been practiced for millennia, but, only recently, studies have shed light on its role in adaptive cellular responses that reduce oxidative damage and inflammation, optimize energy metabolism, and bolster cellular protection. In lower eukaryotes, chronic fasting extends longevity, in part, by reprogramming metabolic and stress resistance pathways. In rodents intermittent or periodic fasting protects against diabetes, cancers, heart disease, and neurodegeneration, while in humans it helps reduce obesity, hypertension, asthma, and rheumatoid arthritis. Thus, fasting has the potential to delay aging and help prevent and treat diseases while minimizing the side effects caused by chronic dietary interventions. Copyright © 2014 Elsevier Inc. All rights reserved.

Ion-optical studies for a range adaptation method in ion beam therapy using a static wedge degrader combined with magnetic beam deflection.

PubMed

Chaudhri, Naved; Saito, Nami; Bert, Christoph; Franczak, Bernhard; Steidl, Peter; Durante, Marco; Rietzel, Eike; Schardt, Dieter

2010-06-21

Fast radiological range adaptation of the ion beam is essential when target motion is mitigated by beam tracking using scanned ion beams for dose delivery. Electromagnetically controlled deflection of a well-focused ion beam on a small static wedge degrader positioned between two dipole magnets, inside the beam delivery system, has been considered as a fast range adaptation method. The principle of the range adaptation method was tested in experiments and Monte Carlo simulations for the therapy beam line at the GSI Helmholtz Centre for Heavy Ions Research. Based on the simulations, ion optical settings of beam deflection and realignment of the adapted beam were experimentally applied to the beam line, and additional tuning was manually performed. Different degrader shapes were employed for the energy adaptation. Measured and simulated beam profiles, i.e. lateral distribution and range in water at isocentre, were analysed and compared with the therapy beam values for beam scanning. Deflected beam positions of up to +/-28 mm on degrader were performed which resulted in a range adaptation of up to +/-15 mm water equivalence (WE). The maximum deviation between the measured adapted range from the nominal range adaptation was below 0.4 mm WE. In experiments, the width of the adapted beam at the isocentre was adjustable between 5 and 11 mm full width at half maximum. The results demonstrate the feasibility/proof of the proposed range adaptation method for beam tracking from the beam quality point of view.

Robust Adaptive Control Using a Filtering Action

DTIC Science & Technology

2009-09-01

research performed on this class of control systems , sensitivity to external disturbances and modeling errors together with poor transient response...dissertation, we address the problems of designing a class of Adaptive Control systems which yield fast adaptation, thus good transient response, and...unable to stabilize the system . Although this approach requires more knowledge about the system in order to control it, it is still attractive in cases

An Adaptable Multiple Power Source for Mass Spectrometry and other Scientific Instruments

DOE PAGES

Lin, Tzu-Yung; Anderson, Gordon A.; Norheim, Randolph V.; ...

2015-09-18

Power supplies are commonly used in the operation of many types of scientific equipment, including mass spectrometers and ancillary instrumentation. A generic modern mass spectrometer comprises an ionization source, such as electrospray ionization (ESI), ion transfer devices such as ion funnels and multipole ion guides, and ion signal detection apparatus. Very often such platforms include, or are interfaced with ancillary elements in order to manipulate samples before or after ionization. In order to operate such scientific instruments, numerous direct current (DC) channels and radio frequency (RF) signals are required, along with other controls such as temperature regulation. In particular, DCmore » voltages in the range of ±400 V, along with MHz range RF signals with peak-to-peak amplitudes in the hundreds of volts range are commonly used to transfer ionized samples under vacuum. Additionally, an ESI source requires a high voltage (HV) DC source capable of producing several thousand volts and heaters capable of generating temperatures up to 300°C. All of these signals must be properly synchronized and managed in order to carry out ion trapping, accumulation and detection.« less

Nonshivering thermogenesis and adaptation to fasting in king penguin chicks.

PubMed

Duchamp, C; Barre, H; Delage, D; Rouanet, J L; Cohen-Adad, F; Minaire, Y

1989-10-01

The ability to develop nonshivering thermogenesis (NST) and the effect of fasting on thermogenic response to cold were studied in winter-acclimatized king penguin chicks. Metabolic rate (MR) and integrated electrical muscle activity were measured at different ambient temperatures. In cold-acclimatized (5 degrees C) fed chicks, shivering threshold temperature (STT) was 9.4 degrees C lower than lower critical temperature (LCT), indicating that NST (0.7 W/kg) occurs at moderate cold, whereas in control chicks fed and reared at 25 degrees C for 3 wk, LCT and STT were similar. Chicks reared in the cold and fasting for 3 wk or 4-5 mo (natural winter fast) developed an NST of 0.8 and 2.4 W/kg, respectively, despite the fast. In fasting chicks, the intercept of the metabolic curve with the abscissa at zero MR was far below body temperature, contrasting with the classic model for heat loss. Their low LCT indicates the capacity of a large reduction in convective conductance characteristic of diving animals and allows energy sparing in moderate cold. Below LCT, conductance reincreases progressively, leading to a steeper than expected slope of the metabolic curve and allowing preservation of a threshold temperature in the shell. These results show for the first time in a wild young bird the development of NST after cold acclimatization. Further, at the temperature of cold acclimatization, an energy-sparing mechanism is shown in response to long-term fast adaptation.

Interpreting angular momentum transfer between electromagnetic multipoles using vector spherical harmonics.

PubMed

Grinter, Roger; Jones, Garth A

2018-02-01

The transfer of angular momentum between a quadrupole emitter and a dipole acceptor is investigated theoretically. Vector spherical harmonics are used to describe the angular part of the field of the mediating photon. Analytical results are presented for predicting angular momentum transfer between the emitter and absorber within a quantum electrodynamical framework. We interpret the allowability of such a process, which appears to violate conservation of angular momentum, in terms of the breakdown of the isotropy of space at the point of photon absorption (detection). That is, collapse of the wavefunction results in loss of all angular momentum information. This is consistent with Noether's Theorem and demystifies some common misconceptions about the nature of the photon. The results have implications for interpreting the detection of photons from multipole sources and offers insight into limits on information that can be extracted from quantum measurements in photonic systems.

First measurement of the polarization observable E in the p → (γ → ,π+) n reaction up to 2.25 GeV

NASA Astrophysics Data System (ADS)

Strauch, S.; Briscoe, W. J.; Döring, M.; Klempt, E.; Nikonov, V. A.; Pasyuk, E.; Rönchen, D.; Sarantsev, A. V.; Strakovsky, I.; Workman, R.; Adhikari, K. P.; Adikaram, D.; Anderson, M. D.; Anefalos Pereira, S.; Anisovich, A. V.; Badui, R. A.; Ball, J.; Batourine, V.; Battaglieri, M.; Bedlinskiy, I.; Benmouna, N.; Biselli, A. S.; Brock, J.; Brooks, W. K.; Burkert, V. D.; Cao, T.; Carlin, C.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Cortes, O.; Crede, V.; Dashyan, N.; D'Angelo, A.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Filippi, A.; Fleming, J. A.; Forest, T. A.; Fradi, A.; Gevorgyan, N.; Ghandilyan, Y.; Giovanetti, K. L.; Girod, F. X.; Glazier, D. I.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joo, K.; Joosten, S.; Keith, C. D.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Kubarovsky, V.; Kuhn, S. E.; Lenisa, P.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Meekins, D. G.; Meyer, C. A.; Mokeev, V.; Montgomery, R. A.; Moody, C. I.; Moutarde, H.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Net, L. A.; Niccolai, S.; Niculescu, G.; Niculescu, I.; O'Rielly, G.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Peng, P.; Phelps, W.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rizzo, A.; Rosner, G.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Seely, M. L.; Senderovich, I.; Sharabian, Y. G.; Simonyan, A.; Skorodumina, Iu.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Sparveris, N.; Stoler, P.; Stepanyan, S.; Sytnik, V.; Taiuti, M.; Tian, Ye; Trivedi, A.; Tucker, R.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2015-11-01

First results from the longitudinally polarized frozen-spin target (FROST) program are reported. The double-polarization observable E, for the reaction γ → p → →π+ n, has been measured using a circularly polarized tagged-photon beam, with energies from 0.35 to 2.37 GeV. The final-state pions were detected with the CEBAF Large Acceptance Spectrometer in Hall B at the Thomas Jefferson National Accelerator Facility. These polarization data agree fairly well with previous partial-wave analyses at low photon energies. Over much of the covered energy range, however, significant deviations are observed, particularly in the high-energy region where high-L multipoles contribute. The data have been included in new multipole analyses resulting in updated nucleon resonance parameters. We report updated fits from the Bonn-Gatchina, Jülich-Bonn, and SAID groups.

Multipole electrodynamic ion trap geometries for microparticle confinement under standard ambient temperature and pressure conditions

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

Mihalcea, Bogdan M., E-mail: bogdan.mihalcea@inflpr.ro; Vişan, Gina T.; Ganciu, Mihai

2016-03-21

Trapping of microparticles and aerosols is of great interest for physics and chemistry. We report microparticle trapping in case of multipole linear Paul trap geometries, operating under standard ambient temperature and pressure conditions. An 8- and 12-electrode linear trap geometries have been designed and tested with an aim to achieve trapping for larger number of particles and to study microparticle dynamical stability in electrodynamic fields. We report emergence of planar and volume ordered structures of microparticles, depending on the a.c. trapping frequency and particle specific charge ratio. The electric potential within the trap is mapped using the electrolytic tank method.more » Particle dynamics is simulated using a stochastic Langevin equation. We emphasize extended regions of stable trapping with respect to quadrupole traps, as well as good agreement between experiment and numerical simulations.« less

General-relativistic celestial mechanics. 4: Theory of satellite motion

NASA Astrophysics Data System (ADS)

Damour, T.; Soffel, M.; Xu, C.

1993-09-01

The basic equations needed for developing a complete relativistic theory of artificial Earth satellites are explicitly written down. These equations are given both in a local, geocentric frame and in the global, barycentric one. They are derived within our recently introduced general-relativistic celestial mechanics framework. Our approach is more satisfactory than previous ones, especially with regard to its consistency, completeness, and flexibility. In particular, the problem of representing the relativistic gravitational effects associated with the quadrupole and higher multipole moments of the moving Earth, which caused difficulties in several other approaches, is easily dealth with in our approach, thanks to the use of previously developed tools: definition of relativistic multipole moments and transformation theory between reference frames. With this last paper in a series, we hope to indicate the way of using our formalism in specific problems in applied celestial mechanics and astrometry.

Lattice properties of the Phase I BNL x-ray lithography source obtained from fits to magnetic measurement data

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

Blumberg, L.N.; Murphy, J.B.; Reusch, M.F.

1991-01-01

The orbit, tune, chromaticity and {beta} values for the Phase 1 XLS ring were computed by numerical integration of equations of motion using fields obtained from the coefficients of the 3-dimensional solution of Laplace's Equation evaluated by fits to magnetic measurements. The results are in good agreement with available data. The method has been extended to higher order fits of TOSCA generated fields in planes normal to the reference axis using the coil configuration proposed for the Superconducting X-Ray Lithography Source. Agreement with results from numerical integration through fields given directly by TOSCA is excellent. The formulation of the normalmore » multipole expansion presented by Brown and Servranckx has been extended to include skew multipole terms. The method appears appropriate for analysis of magnetic measurements of the SXLS. 8 refs. , 2 figs., 2 tabs.« less

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

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

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

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

Atomic spectroscopy with twisted photons: Separation of M 1 -E 2 mixed multipoles

NASA Astrophysics Data System (ADS)

Afanasev, Andrei; Carlson, Carl E.; Solyanik, Maria

2018-02-01

We analyze atomic photoexcitation into the discrete states by twisted photons, or photons carrying extra orbital angular momentum along their direction of propagation. From the angular momentum and parity considerations, we are able to relate twisted-photon photoexcitation amplitudes to their plane-wave analogs, independently of the details of the atomic wave functions. We analyze the photoabsorption cross sections of mixed-multipolarity E 2 -M 1 transitions in ionized atoms and found fundamental differences coming from the photon topology. Our theoretical analysis demonstrates that it is possible to extract the relative transition rates of different multipolar contributions by measuring the photoexcitation rate as a function of the atom's position (or impact parameter) with respect to the optical vortex center. The proposed technique for separation of multipoles can be implemented if the target's atom position is resolved with subwavelength accuracy; for example, with Paul traps. Numerical examples are presented for Boron-like highly charged ions.

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

Meinke, Rainer

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

Strong dipole and higher multi-pole Mie resonance modes with all-dielectric nanoring metasurfaces structure

NASA Astrophysics Data System (ADS)

Zhu, Huihui; Jing, Xufeng; Zhou, Pengwei

2018-01-01

Strong electric and magnetic dipole in infrared region and higher order multi-pole resonance at visible wavelengths are observed in all-dielectric nanoring metasurfaces. We discuss some of the parameters that influence the optical response of the dielectric nanoring. Adjustment of nanoring radius (inner radius and outer radius) and height can change the absorption intensity and the resonance peaks. Dipole, quadrupole, six-pole and ten-pole resonance modes can be found in the silicon nanoring at resonance wavelength. The transmission spectrum of nanoring with high Q-factor and contrast is achieved with appropriate parameters. Further the nanoring is used to application of sensing in which the sensitivity reaches 228 nm/RIU. This research is an important step to understand resonance in silicon nanoring and paves way for designing some optic devices such as sensor, nanoantennas, and photovoltaics.

Multipole Superconductivity in Nonsymmorphic Sr_{2}IrO_{4}.

PubMed

Sumita, Shuntaro; Nomoto, Takuya; Yanase, Youichi

2017-07-14

Discoveries of marked similarities to high-T_{c} cuprate superconductors point to the realization of superconductivity in the doped J_{eff}=1/2 Mott insulator Sr_{2}IrO_{4}. Contrary to the mother compound of cuprate superconductors, several stacking patterns of in-plane canted antiferromagnetic moments have been reported, which are distinguished by the ferromagnetic components as -++-, ++++, and -+-+. In this paper, we clarify unconventional features of the superconductivity coexisting with -++- and -+-+ structures. Combining the group theoretical analysis and numerical calculations for an effective J_{eff}=1/2 model, we show unusual superconducting gap structures in the -++- state protected by nonsymmorphic magnetic space group symmetry. Furthermore, our calculation shows that the Fulde-Ferrell-Larkin-Ovchinnikov superconductivity is inevitably stabilized in the -+-+ state since the odd-parity magnetic -+-+ order makes the band structure asymmetric by cooperating with spin-orbit coupling. These unusual superconducting properties are signatures of magnetic multipole order in nonsymmorphic crystal.

Large-scale 3D galaxy correlation function and non-Gaussianity

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

Raccanelli, Alvise; Doré, Olivier; Bertacca, Daniele

We investigate the properties of the 2-point galaxy correlation function at very large scales, including all geometric and local relativistic effects --- wide-angle effects, redshift space distortions, Doppler terms and Sachs-Wolfe type terms in the gravitational potentials. The general three-dimensional correlation function has a nonzero dipole and octupole, in addition to the even multipoles of the flat-sky limit. We study how corrections due to primordial non-Gaussianity and General Relativity affect the multipolar expansion, and we show that they are of similar magnitude (when f{sub NL} is small), so that a relativistic approach is needed. Furthermore, we look at how large-scalemore » corrections depend on the model for the growth rate in the context of modified gravity, and we discuss how a modified growth can affect the non-Gaussian signal in the multipoles.« less

Collisionless Spectral Kinetic Simulation of Ideal Multipole Resonance Probe

NASA Astrophysics Data System (ADS)

Gong, Junbo; Wilczek, Sebastian; Szeremley, Daniel; Oberrath, Jens; Eremin, Denis; Dobrygin, Wladislaw; Schilling, Christian; Friedrichs, Michael; Brinkmann, Ralf Peter

2016-09-01

Active Plasma Resonance Spectroscopy denotes a class of industry-compatible plasma diagnostic methods which utilize the natural ability of plasmas to resonate on or near the electron plasma frequency ωpe. One particular realization of APRS with a high degree of geometric and electric symmetry is the Multipole Resonance Probe (MRP). The Ideal MRP(IMRP) is an even more symmetric idealization which is suited for theoretical investigations. In this work, a spectral kinetic scheme is presented to investigate the behavior of the IMRP in the low pressure regime. However, due to the velocity difference, electrons are treated as particles whereas ions are only considered as stationary background. In the scheme, the particle pusher integrates the equations of motion for the studied particles, the Poisson solver determines the electric field at each particle position. The proposed method overcomes the limitation of the cold plasma model and covers kinetic effects like collisionless damping.

Active Plasma Resonance Spectroscopy: Evaluation of a fluiddynamic-model of the planar multipole resonance probe using functional analytic methods

NASA Astrophysics Data System (ADS)

Friedrichs, Michael; Brinkmann, Ralf Peter; Oberrath, Jens

2016-09-01

Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP. By coupling the model of the cold plasma with the maxwell equations for electrostatics an analytical model for the admittance of the plasma is derivated, adjusted to cylindrical geometry and solved analytically for the planar MRP using functional analytic methods.

Near-threshold neutral pion electroproduction at high momentum transfers and generalized form factors

NASA Astrophysics Data System (ADS)

Khetarpal, P.; Stoler, P.; Aznauryan, I. G.; Kubarovsky, V.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Anghinolfi, M.; Avakian, H.; Baghdasaryan, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Fersch, R.; Fleming, J. A.; Fradi, A.; Gabrielyan, M. Y.; Garçon, M.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jo, H. S.; Joo, K.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, F. J.; Koirala, S.; Kubarovsky, A.; Kuleshov, S. V.; Kvaltine, N. D.; Lewis, S.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Martinez, D.; Mayer, M.; McKinnon, B.; Meyer, C. A.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Park, S.; Pasyuk, E.; Phelps, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Ricco, G.; Rimal, D.; Ripani, M.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Saylor, N. A.; Schott, D.; Schumacher, R. A.; Seder, E.; Seraydaryan, H.; Sharabian, Y. G.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tang, W.; Taylor, C. E.; Tkachenko, S.; Ungaro, M.; Vernarsky, B.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Weinstein, L. B.; Weygand, D. P.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2013-04-01

We report the measurement of near-threshold neutral pion electroproduction cross sections and the extraction of the associated structure functions on the proton in the kinematic range Q2 from 2 to 4.5 GeV2 and W from 1.08 to 1.16 GeV. These measurements allow us to access the dominant pion-nucleon s-wave multipoles E0+ and S0+ in the near-threshold region. In the light-cone sum-rule framework (LCSR), these multipoles are related to the generalized form factors G1π0p(Q2) and G2π0p(Q2). The data are compared to these generalized form factors and the results for G1π0p(Q2) are found to be in good agreement with the LCSR predictions, but the level of agreement with G2π0p(Q2) is poor.

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.

Forbidden atomic transitions driven by an intensity-modulated laser trap.

PubMed

Moore, Kaitlin R; Anderson, Sarah E; Raithel, Georg

2015-01-20

Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes the multipole-field interaction, which leads to established spectroscopic selection rules, and an interaction that is quadratic in the field, which is not often employed. However, spectroscopy using the quadratic (ponderomotive) interaction promises two significant advantages over spectroscopy using the multipole-field interaction: flexible transition rules and vastly improved spatial addressability of the quantum system. Here we demonstrate ponderomotive spectroscopy by using optical-lattice-trapped Rydberg atoms, pulsating the lattice light and driving a microwave atomic transition that would otherwise be forbidden by established spectroscopic selection rules. This ability to measure frequencies of previously inaccessible transitions makes possible improved determinations of atomic characteristics and constants underlying physics. The spatial resolution of ponderomotive spectroscopy is orders of magnitude better than the transition frequency would suggest, promising single-site addressability in dense particle arrays for quantum computing applications.

First measurement of the polarization observable E in the p →(y →π +)n reaction up to 2.25 GeV

DOE PAGES

Strauch, Steffen

2015-08-28

First results from the longitudinally polarized frozen-spin target (FROST) program are reported. The double-polarization observable E , for the reaction y →p →→π +n, has been measured using a circularly polarized tagged-photon beam, with energies from 0.35 to 2.37 GeV. The final-state pions were detected with the CEBAF Large Acceptance Spectrometer in Hall B at the Thomas Jefferson National Accelerator Facility. These polarization data agree fairly well with previous partial-wave analyses at low photon energies. Over much of the covered energy range, however, significant deviations are observed, particularly in the high-energy region where high-L multipoles contribute. The data have beenmore » included in new multipole analyses resulting in updated nucleon resonance parameters. Lastly, we report updated fits from the Bonn–Gatchina, Jülich–Bonn, and SAID groups.« less

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

DOE PAGES

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

2017-12-22

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

Transcription Factor Networks Directing the Development, Function, and Evolution of Innate Lymphoid Effectors

PubMed Central

Kang, Joonsoo; Malhotra, Nidhi

2015-01-01

Mammalian lymphoid immunity is mediated by fast and slow responders to pathogens. Fast innate lymphocytes are active within hours after infections in mucosal tissues. Slow adaptive lymphocytes are conventional T and B cells with clonal antigen receptors that function days after pathogen exposure. A transcription factor (TF) regulatory network guiding early T cell development is at the core of effector function diversification in all innate lymphocytes, and the kinetics of immune responses is set by developmental programming. Operational units within the innate lymphoid system are not classified by the types of pathogen-sensing machineries but rather by discrete effector functions programmed by regulatory TF networks. Based on the evolutionary history of TFs of the regulatory networks, fast effectors likely arose earlier in the evolution of animals to fortify body barriers, and in mammals they often develop in fetal ontogeny prior to the establishment of fully competent adaptive immunity. PMID:25650177

Experiment K-7-33: Functional Neuromuscular Adaptation to Spaceflight

NASA Technical Reports Server (NTRS)

Edgerton, V. R.; Bodine-Fowler, S.; Hodgson, J. A.; Roy, R. R.; Kozlovskaya, I. B.

1994-01-01

The following data were collected from two Rhesus monkeys (782 and 2483) that were flown aboard a 14-day biosatellite mission (COSMOS 2044). The proposed study was designed to determine the effects of the absence of weight support on flexor and extensor muscles of the hindlimb. These effects were assessed morphologically and biochemically from muscle biopsies taken from a slow extensor, the soleus; a fast extensor, the medial gastrocnemius; and a fast flexor, the tibialis anterior. A second objective of this study was to determine the relative importance of activity (as determined by intramuscular electromyography, and force (as determined by joint torque) on the adaptation of muscle.

Coupling Active Hair Bundle Mechanics, Fast Adaptation, and Somatic Motility in a Cochlear Model

PubMed Central

Meaud, Julien; Grosh, Karl

2011-01-01

One of the central questions in the biophysics of the mammalian cochlea is determining the contributions of the two active processes, prestin-based somatic motility and hair bundle (HB) motility, to cochlear amplification. HB force generation is linked to fast adaptation of the transduction current via a calcium-dependent process and somatic force generation is driven by the depolarization caused by the transduction current. In this article, we construct a global mechanical-electrical-acoustical mathematical model of the cochlea based on a three-dimensional fluid representation. The global cochlear model is coupled to linearizations of nonlinear somatic motility and HB activity as well as to the micromechanics of the passive structural and electrical elements of the cochlea. We find that the active HB force alone is not sufficient to power high frequency cochlear amplification. However, somatic motility can overcome resistor-capacitor filtering by the basolateral membrane and deliver sufficient mechanical energy for amplification at basal locations. The results suggest a new theory for high frequency active cochlear mechanics, in which fast adaptation controls the transduction channel sensitivity and thereby the magnitude of the energy delivered by somatic motility. PMID:21641302

Coupling active hair bundle mechanics, fast adaptation, and somatic motility in a cochlear model.

PubMed

Meaud, Julien; Grosh, Karl

2011-06-08

One of the central questions in the biophysics of the mammalian cochlea is determining the contributions of the two active processes, prestin-based somatic motility and hair bundle (HB) motility, to cochlear amplification. HB force generation is linked to fast adaptation of the transduction current via a calcium-dependent process and somatic force generation is driven by the depolarization caused by the transduction current. In this article, we construct a global mechanical-electrical-acoustical mathematical model of the cochlea based on a three-dimensional fluid representation. The global cochlear model is coupled to linearizations of nonlinear somatic motility and HB activity as well as to the micromechanics of the passive structural and electrical elements of the cochlea. We find that the active HB force alone is not sufficient to power high frequency cochlear amplification. However, somatic motility can overcome resistor-capacitor filtering by the basolateral membrane and deliver sufficient mechanical energy for amplification at basal locations. The results suggest a new theory for high frequency active cochlear mechanics, in which fast adaptation controls the transduction channel sensitivity and thereby the magnitude of the energy delivered by somatic motility. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Fast adaptive diamond search algorithm for block-matching motion estimation using spatial correlation

NASA Astrophysics Data System (ADS)

Park, Sang-Gon; Jeong, Dong-Seok

2000-12-01

In this paper, we propose a fast adaptive diamond search algorithm (FADS) for block matching motion estimation. Many fast motion estimation algorithms reduce the computational complexity by the UESA (Unimodal Error Surface Assumption) where the matching error monotonically increases as the search moves away from the global minimum point. Recently, many fast BMAs (Block Matching Algorithms) make use of the fact that global minimum points in real world video sequences are centered at the position of zero motion. But these BMAs, especially in large motion, are easily trapped into the local minima and result in poor matching accuracy. So, we propose a new motion estimation algorithm using the spatial correlation among the neighboring blocks. We move the search origin according to the motion vectors of the spatially neighboring blocks and their MAEs (Mean Absolute Errors). The computer simulation shows that the proposed algorithm has almost the same computational complexity with DS (Diamond Search), but enhances PSNR. Moreover, the proposed algorithm gives almost the same PSNR as that of FS (Full Search), even for the large motion with half the computational load.

Planetary Magnetic Fields

NASA Astrophysics Data System (ADS)

Christensen, Ulrich R.

2017-06-01

The Earth's magnetic field has been known for centuries. Since the mid-20th century space missions carrying vector magnetometers showed that most, but not all, solar system planets have a global magnetic field of internal origin. They also revealed a surprising diversity in terms of field strength and morphology. While Jupiter's field, like that of Earth, is dominated by a dipole moderately tilted relative to the planet's spin axis, with multipole components being subordinate but not negligible, the fields of Uranus and Neptune are multipole-dominated, whereas those of Saturn und Mercury are highly symmetric relative to the rotation axis. Planetary magnetism originates from a dynamo process, which requires a fluid and electrically conducting region in the interior with sufficiently rapid and complex flow. The magnetic fields are of interest for three reasons: (1) They provide ground truth for dynamo theory, which is a fundamental and not completely solved physical problem; (2) the magnetic field controls how the planet interacts with its space environment, for example, the solar wind; and (3) the existence (or nonexistence) and the properties of the field allow us to draw inferences on the constitution, dynamics, and thermal evolution of the planet's interior. For example, the lack of global magnetic fields at Mars and Venus can be explained if their iron cores, although liquid, are stably stratified. Numerical simulations of the geodynamo—in which convective flow in a rapidly rotating spherical shell representing the outer liquid iron core of the Earth leads to induction of electric currents and the associated magnetic field—have successfully reproduced many observed properties of the geomagnetic field. They have also provided guidelines on the factors controlling magnetic field strength and, tentatively, their morphology. For numerical reasons the simulations must employ viscosities far greater than those inside planets, and it is debatable whether they truly capture the correct physics of planetary dynamo processes. Nonetheless, such models have been adapted to test concepts for explaining magnetic field properties of other planets. For example, they show that a stable stratified conducting layer above the dynamo region is a plausible cause for the strongly axisymmetric magnetic fields of Mercury or Saturn.

A non-traditional model of the metabolic syndrome: the adaptive significance of insulin resistance in fasting-adapted seals.

PubMed

Houser, Dorian S; Champagne, Cory D; Crocker, Daniel E

2013-11-01

Insulin resistance in modern society is perceived as a pathological consequence of excess energy consumption and reduced physical activity. Its presence in relation to the development of cardiovascular risk factors has been termed the metabolic syndrome, which produces increased mortality and morbidity and which is rapidly increasing in human populations. Ironically, insulin resistance likely evolved to assist animals during food shortages by increasing the availability of endogenous lipid for catabolism while protecting protein from use in gluconeogenesis and eventual oxidation. Some species that incorporate fasting as a predictable component of their life history demonstrate physiological traits similar to the metabolic syndrome during prolonged fasts. One such species is the northern elephant seal (Mirounga angustirostris), which fasts from food and water for periods of up to 4 months. During this time, ∼90% of the seals metabolic demands are met through fat oxidation and circulating non-esterified fatty acids are high (0.7-3.2 mM). All life history stages of elephant seal studied to date demonstrate insulin resistance and fasting hyperglycemia as well as variations in hormones and adipocytokines that reflect the metabolic syndrome to some degree. Elephant seals demonstrate some intriguing adaptations with the potential for medical advancement; for example, ketosis is negligible despite significant and prolonged fatty acid oxidation and investigation of this feature might provide insight into the treatment of diabetic ketoacidosis. The parallels to the metabolic syndrome are likely reflected to varying degrees in other marine mammals, most of which evolved on diets high in lipid and protein content but essentially devoid of carbohydrate. Utilization of these natural models of insulin resistance may further our understanding of the pathophysiology of the metabolic syndrome in humans and better assist the development of preventative measures and therapies.

A novel bit-wise adaptable entropy coding technique

NASA Technical Reports Server (NTRS)

Kiely, A.; Klimesh, M.

2001-01-01

We present a novel entropy coding technique which is adaptable in that each bit to be encoded may have an associated probability esitmate which depends on previously encoded bits. The technique may have advantages over arithmetic coding. The technique can achieve arbitrarily small redundancy and admits a simple and fast decoder.

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

Mapping the Drude polarizable force field onto a multipole and induced dipole model

NASA Astrophysics Data System (ADS)

Huang, Jing; Simmonett, Andrew C.; Pickard, Frank C.; MacKerell, Alexander D.; Brooks, Bernard R.

2017-10-01

The induced dipole and the classical Drude oscillator represent two major approaches for the explicit inclusion of electronic polarizability into force field-based molecular modeling and simulations. In this work, we explore the equivalency of these two models by comparing condensed phase properties computed using the Drude force field and a multipole and induced dipole (MPID) model. Presented is an approach to map the electrostatic model optimized in the context of the Drude force field onto the MPID model. Condensed phase simulations on water and 15 small model compounds show that without any reparametrization, the MPID model yields properties similar to the Drude force field with both models yielding satisfactory reproduction of a range of experimental values and quantum mechanical data. Our results illustrate that the Drude oscillator model and the point induced dipole model are different representations of essentially the same physical model. However, results indicate the presence of small differences between the use of atomic multipoles and off-center charge sites. Additionally, results on the use of dispersion particle mesh Ewald further support its utility for treating long-range Lennard Jones dispersion contributions in the context of polarizable force fields. The main motivation in demonstrating the transferability of parameters between the Drude and MPID models is that the more than 15 years of development of the Drude polarizable force field can now be used with MPID formalism without the need for dual-thermostat integrators nor self-consistent iterations. This opens up a wide range of new methodological opportunities for polarizable models.

Airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and multi-pole magnets towards enhanced power density.

PubMed

Leung, Chung Ming; Wang, Ya; Chen, Wusi

2016-11-01

In this letter, the airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and trajectory matching multi-pole magnets was investigated. The magnets were aligned in an alternatively magnetized formation of 6 magnets to explore enhanced power density. In particular, the magnet array was positioned in parallel to the trajectory of the tip coil within its tip deflection span. The finite element simulations of the magnetic flux density and induced voltages at an open circuit condition were studied to find the maximum number of alternatively magnetized magnets that was required for the proposed energy harvester. Experimental results showed that the energy harvester with a pair of 6 alternatively magnetized linear magnet arrays was able to generate an induced voltage (V o ) of 20 V, with an open circuit condition, and 475 mW, under a 30 Ω optimal resistance load operating with the wind speed (U) at 7 m/s and a natural bending frequency of 3.54 Hz. Compared to the traditional electromagnetic energy harvester with a single magnet moving through a coil, the proposed energy harvester, containing multi-pole magnets and parallel array motion, enables the moving coil to accumulate a stronger magnetic flux in each period of the swinging motion. In addition to the comparison made with the airfoil-based piezoelectric energy harvester of the same size, our proposed electromagnetic energy harvester generates 11 times more power output, which is more suitable for high-power-density energy harvesting applications at regions with low environmental frequency.

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.

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.

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

Rapid adaptation to microgravity in mammalian macrophage cells.

PubMed

Thiel, Cora S; de Zélicourt, Diane; Tauber, Svantje; Adrian, Astrid; Franz, Markus; Simmet, Dana M; Schoppmann, Kathrin; Hauschild, Swantje; Krammer, Sonja; Christen, Miriam; Bradacs, Gesine; Paulsen, Katrin; Wolf, Susanne A; Braun, Markus; Hatton, Jason; Kurtcuoglu, Vartan; Franke, Stefanie; Tanner, Samuel; Cristoforetti, Samantha; Sick, Beate; Hock, Bertold; Ullrich, Oliver

2017-02-27

Despite the observed severe effects of microgravity on mammalian cells, many astronauts have completed long term stays in space without suffering from severe health problems. This raises questions about the cellular capacity for adaptation to a new gravitational environment. The International Space Station (ISS) experiment TRIPLE LUX A, performed in the BIOLAB laboratory of the ISS COLUMBUS module, allowed for the first time the direct measurement of a cellular function in real time and on orbit. We measured the oxidative burst reaction in mammalian macrophages (NR8383 rat alveolar macrophages) exposed to a centrifuge regime of internal 0 g and 1 g controls and step-wise increase or decrease of the gravitational force in four independent experiments. Surprisingly, we found that these macrophages adapted to microgravity in an ultra-fast manner within seconds, after an immediate inhibitory effect on the oxidative burst reaction. For the first time, we provided direct evidence of cellular sensitivity to gravity, through real-time on orbit measurements and by using an experimental system, in which all factors except gravity were constant. The surprisingly ultra-fast adaptation to microgravity indicates that mammalian macrophages are equipped with a highly efficient adaptation potential to a low gravity environment. This opens new avenues for the exploration of adaptation of mammalian cells to gravitational changes.

Visual adaptation alters the apparent speed of real-world actions.

PubMed

Mather, George; Sharman, Rebecca J; Parsons, Todd

2017-07-27

The apparent physical speed of an object in the field of view remains constant despite variations in retinal velocity due to viewing conditions (velocity constancy). For example, people and cars appear to move across the field of view at the same objective speed regardless of distance. In this study a series of experiments investigated the visual processes underpinning judgements of objective speed using an adaptation paradigm and video recordings of natural human locomotion. Viewing a video played in slow-motion for 30 seconds caused participants to perceive subsequently viewed clips played at standard speed as too fast, so playback had to be slowed down in order for it to appear natural; conversely after viewing fast-forward videos for 30 seconds, playback had to be speeded up in order to appear natural. The perceived speed of locomotion shifted towards the speed depicted in the adapting video ('re-normalisation'). Results were qualitatively different from those obtained in previously reported studies of retinal velocity adaptation. Adapting videos that were scrambled to remove recognizable human figures or coherent motion caused significant, though smaller shifts in apparent locomotion speed, indicating that both low-level and high-level visual properties of the adapting stimulus contributed to the changes in apparent speed.

Adaptive nodes enrich nonlinear cooperative learning beyond traditional adaptation by links.

PubMed

Sardi, Shira; Vardi, Roni; Goldental, Amir; Sheinin, Anton; Uzan, Herut; Kanter, Ido

2018-03-23

Physical models typically assume time-independent interactions, whereas neural networks and machine learning incorporate interactions that function as adjustable parameters. Here we demonstrate a new type of abundant cooperative nonlinear dynamics where learning is attributed solely to the nodes, instead of the network links which their number is significantly larger. The nodal, neuronal, fast adaptation follows its relative anisotropic (dendritic) input timings, as indicated experimentally, similarly to the slow learning mechanism currently attributed to the links, synapses. It represents a non-local learning rule, where effectively many incoming links to a node concurrently undergo the same adaptation. The network dynamics is now counterintuitively governed by the weak links, which previously were assumed to be insignificant. This cooperative nonlinear dynamic adaptation presents a self-controlled mechanism to prevent divergence or vanishing of the learning parameters, as opposed to learning by links, and also supports self-oscillations of the effective learning parameters. It hints on a hierarchical computational complexity of nodes, following their number of anisotropic inputs and opens new horizons for advanced deep learning algorithms and artificial intelligence based applications, as well as a new mechanism for enhanced and fast learning by neural networks.

Improving the Response of Accelerometers for Automotive Applications by Using LMS Adaptive Filters: Part II

PubMed Central

Hernandez, Wilmar; de Vicente, Jesús; Sergiyenko, Oleg Y.; Fernández, Eduardo

2010-01-01

In this paper, the fast least-mean-squares (LMS) algorithm was used to both eliminate noise corrupting the important information coming from a piezoresisitive accelerometer for automotive applications, and improve the convergence rate of the filtering process based on the conventional LMS algorithm. The response of the accelerometer under test was corrupted by process and measurement noise, and the signal processing stage was carried out by using both conventional filtering, which was already shown in a previous paper, and optimal adaptive filtering. The adaptive filtering process relied on the LMS adaptive filtering family, which has shown to have very good convergence and robustness properties, and here a comparative analysis between the results of the application of the conventional LMS algorithm and the fast LMS algorithm to solve a real-life filtering problem was carried out. In short, in this paper the piezoresistive accelerometer was tested for a multi-frequency acceleration excitation. Due to the kind of test conducted in this paper, the use of conventional filtering was discarded and the choice of one adaptive filter over the other was based on the signal-to-noise ratio improvement and the convergence rate. PMID:22315579

Fast and Adaptive Lossless On-Board Hyperspectral Data Compression System for Space Applications

NASA Technical Reports Server (NTRS)

Aranki, Nazeeh; Bakhshi, Alireza; Keymeulen, Didier; Klimesh, Matthew

2009-01-01

Efficient on-board lossless hyperspectral data compression reduces the data volume necessary to meet NASA and DoD limited downlink capabilities. The techniques also improves signature extraction, object recognition and feature classification capabilities by providing exact reconstructed data on constrained downlink resources. At JPL a novel, adaptive and predictive technique for lossless compression of hyperspectral data was recently developed. This technique uses an adaptive filtering method and achieves a combination of low complexity and compression effectiveness that far exceeds state-of-the-art techniques currently in use. The JPL-developed 'Fast Lossless' algorithm requires no training data or other specific information about the nature of the spectral bands for a fixed instrument dynamic range. It is of low computational complexity and thus well-suited for implementation in hardware, which makes it practical for flight implementations of pushbroom instruments. A prototype of the compressor (and decompressor) of the algorithm is available in software, but this implementation may not meet speed and real-time requirements of some space applications. Hardware acceleration provides performance improvements of 10x-100x vs. the software implementation (about 1M samples/sec on a Pentium IV machine). This paper describes a hardware implementation of the JPL-developed 'Fast Lossless' compression algorithm on a Field Programmable Gate Array (FPGA). The FPGA implementation targets the current state of the art FPGAs (Xilinx Virtex IV and V families) and compresses one sample every clock cycle to provide a fast and practical real-time solution for Space applications.

Fast reversible learning based on neurons functioning as anisotropic multiplex hubs

NASA Astrophysics Data System (ADS)

Vardi, Roni; Goldental, Amir; Sheinin, Anton; Sardi, Shira; Kanter, Ido

2017-05-01

Neural networks are composed of neurons and synapses, which are responsible for learning in a slow adaptive dynamical process. Here we experimentally show that neurons act like independent anisotropic multiplex hubs, which relay and mute incoming signals following their input directions. Theoretically, the observed information routing enriches the computational capabilities of neurons by allowing, for instance, equalization among different information routes in the network, as well as high-frequency transmission of complex time-dependent signals constructed via several parallel routes. In addition, this kind of hubs adaptively eliminate very noisy neurons from the dynamics of the network, preventing masking of information transmission. The timescales for these features are several seconds at most, as opposed to the imprint of information by the synaptic plasticity, a process which exceeds minutes. Results open the horizon to the understanding of fast and adaptive learning realities in higher cognitive brain's functionalities.

Prolonged food deprivation increases mRNA expression of deiodinase 1 and 2, and thyroid hormone receptor β-1 in a fasting-adapted mammal

PubMed Central

Martinez, Bridget; Soñanez-Organis, José G.; Vázquez-Medina, José Pablo; Viscarra, Jose A.; MacKenzie, Duncan S.; Crocker, Daniel E.; Ortiz, Rudy M.

2013-01-01

SUMMARY Food deprivation in mammals is typically associated with reduced thyroid hormone (TH) concentrations and deiodinase content and activity to suppress metabolism. However, in prolonged-fasted, metabolically active elephant seal pups, TH levels are maintained, if not elevated. The functional relevance of this apparent paradox is unknown and demonstrates variability in the regulation of TH levels, metabolism and function in food-deprived mammals. To address our hypothesis that cellular TH-mediated activity is upregulated with fasting duration, we quantified the mRNA expression and protein content of adipose and muscle deiodinase type I (DI1) and type II (DI2), and TH receptor beta-1 (THrβ-1) after 1, 3 and 7 weeks of fasting in northern elephant seal pups (N=5–7 per week). Fasting did not decrease the concentrations of plasma thyroid stimulating hormone, total triiodothyronine (tT3), free T3, total thyroxine (tT4) or free T4, suggesting that the hypothalamic–pituitary–thyroid axis is not suppressed, but rather maintained during fasting. Mean mRNA expression of adipose DI1 and DI2 increased threefold and fourfold, respectively, and 20- and 30-fold, respectively, in muscle. With the exception of adipose DI1, protein expression of adipose DI2 and muscle DI1 and DI2 increased twofold to fourfold. Fasting also increased adipose (fivefold) and muscle (fourfold) THrβ-1 mRNA expression, suggesting that the mechanisms mediating cellular TH activity are upregulated with prolonged fasting. The data demonstrate a unique, atypical mechanism of TH activity and regulation in mammals adapted to prolonged food deprivation in which the potential responsiveness of peripheral tissues and cellular TH activity are increased, which may contribute to their lipid-based metabolism. PMID:24307712

Quantifying the impact of adaptive traffic control systems on crash frequency and severity: Evidence from Oakland County, Michigan.

PubMed

Fink, Joshua; Kwigizile, Valerian; Oh, Jun-Seok

2016-06-01

Despite seeing widespread usage worldwide, adaptive traffic control systems have experienced relatively little use in the United States. Of the systems used, the Sydney Coordinated Adaptive Traffic System (SCATS) is the most popular in America. Safety benefits of these systems are not as well understood nor as commonly documented. This study investigates the safety benefits of adaptive traffic control systems by using the large SCATS-based system in Oakland County, MI known as FAST-TRAC. This study uses data from FAST-TRAC-controlled intersections in Oakland County and compares a wide variety of geometric, traffic, and crash characteristics to similar intersections in metropolitan areas elsewhere in Michigan. Data from 498 signalized intersections are used to conduct a cross-sectional analysis. Negative binomial models are used to estimate models for three dependent crash variables. Multinomial logit models are used to estimate an injury severity model. A variable tracking the presence of FAST-TRAC controllers at intersections is used in all models to determine if a SCATS-based system has an impact on crash occurrences or crash severity. Estimates show that the presence of SCATS-based controllers at intersections is likely to reduce angle crashes by up to 19.3%. Severity results show a statistically significant increase in non-serious injuries, but not a significant reduction in incapacitating injuries or fatal accidents. Copyright © 2016 Elsevier Ltd and National Safety Council. All rights reserved.

Magnetic measurements of the injector synchrotron magnets for the advanced photon source

NASA Astrophysics Data System (ADS)

Kim, S. H.; Carnegie, D. W.; Doose, C. L.; Hogrefe, R.; Kim, K.; Merl, R.; Turner, L. R.

1994-07-01

The magnetic measurement data of the dipole, quadrupole, and sextupole magnets for the Advanced Photon Source injector synchrotron are summarized. Magnet design and magnetic measurements of the field strength, field shape, and multipole coefficients are described.

Evidence of correlated evolution and adaptive differentiation of stem and leaf functional traits in the herbaceous genus, Helianthus.

PubMed

Pilote, Alex J; Donovan, Lisa A

2016-12-01

Patterns of plant stem traits are expected to align with a "fast-slow" plant economic spectrum across taxa. Although broad patterns support such tradeoffs in field studies, tests of hypothesized correlated trait evolution and adaptive differentiation are more robust when taxa relatedness and environment are taken into consideration. Here we test for correlated evolution of stem and leaf traits and their adaptive differentiation across environments in the herbaceous genus, Helianthus. Stem and leaf traits of 14 species of Helianthus (28 populations) were assessed in a common garden greenhouse study. Phylogenetically independent contrasts were used to test for evidence of correlated evolution of stem hydraulic and biomechanical properties, correlated evolution of stem and leaf traits, and adaptive differentiation associated with source habitat environments. Among stem traits, there was evidence for correlated evolution of some hydraulic and biomechanical properties, supporting an expected tradeoff between stem theoretical hydraulic efficiency and resistance to bending stress. Population differentiation for suites of stem and leaf traits was found to be consistent with a "fast-slow" resource-use axis for traits related to water transport and use. Associations of population traits with source habitat characteristics supported repeated evolution of a resource-acquisitive "drought-escape" strategy in arid environments. This study provides evidence of correlated evolution of stem and leaf traits consistent with the fast-slow spectrum of trait combinations related to water transport and use along the stem-to-leaf pathway. Correlations of traits with source habitat characteristics further indicate that the correlated evolution is associated, at least in part, with adaptive differentiation of Helianthus populations among native habitats differing in climate. © 2016 Botanical Society of America.

Hairy Root as a Model System for Undergraduate Laboratory Curriculum and Research

ERIC Educational Resources Information Center

Keyes, Carol A.; Subramanian, Senthil; Yu, Oliver

2009-01-01

Hairy root transformation has been widely adapted in plant laboratories to rapidly generate transgenic roots for biochemical and molecular analysis. We present hairy root transformations as a versatile and adaptable model system for a wide variety of undergraduate laboratory courses and research. This technique is easy, efficient, and fast making…

Fast Adapting Ensemble: A New Algorithm for Mining Data Streams with Concept Drift

PubMed Central

Ortíz Díaz, Agustín; Ramos-Jiménez, Gonzalo; Frías Blanco, Isvani; Caballero Mota, Yailé; Morales-Bueno, Rafael

2015-01-01

The treatment of large data streams in the presence of concept drifts is one of the main challenges in the field of data mining, particularly when the algorithms have to deal with concepts that disappear and then reappear. This paper presents a new algorithm, called Fast Adapting Ensemble (FAE), which adapts very quickly to both abrupt and gradual concept drifts, and has been specifically designed to deal with recurring concepts. FAE processes the learning examples in blocks of the same size, but it does not have to wait for the batch to be complete in order to adapt its base classification mechanism. FAE incorporates a drift detector to improve the handling of abrupt concept drifts and stores a set of inactive classifiers that represent old concepts, which are activated very quickly when these concepts reappear. We compare our new algorithm with various well-known learning algorithms, taking into account, common benchmark datasets. The experiments show promising results from the proposed algorithm (regarding accuracy and runtime), handling different types of concept drifts. PMID:25879051

Inherent robustness of discrete-time adaptive control systems

NASA Technical Reports Server (NTRS)

Ma, C. C. H.

1986-01-01

Global stability robustness with respect to unmodeled dynamics, arbitrary bounded internal noise, as well as external disturbance is shown to exist for a class of discrete-time adaptive control systems when the regressor vectors of these systems are persistently exciting. Although fast adaptation is definitely undesirable, so far as attaining the greatest amount of global stability robustness is concerned, slow adaptation is shown to be not necessarily beneficial. The entire analysis in this paper holds for systems with slowly varying return difference matrices; the plants in these systems need not be slowly varying.

Fast ℓ1-regularized space-time adaptive processing using alternating direction method of multipliers

NASA Astrophysics Data System (ADS)

Qin, Lilong; Wu, Manqing; Wang, Xuan; Dong, Zhen

2017-04-01

Motivated by the sparsity of filter coefficients in full-dimension space-time adaptive processing (STAP) algorithms, this paper proposes a fast ℓ1-regularized STAP algorithm based on the alternating direction method of multipliers to accelerate the convergence and reduce the calculations. The proposed algorithm uses a splitting variable to obtain an equivalent optimization formulation, which is addressed with an augmented Lagrangian method. Using the alternating recursive algorithm, the method can rapidly result in a low minimum mean-square error without a large number of calculations. Through theoretical analysis and experimental verification, we demonstrate that the proposed algorithm provides a better output signal-to-clutter-noise ratio performance than other algorithms.

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.

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

Technique for Solving Electrically Small to Large Structures for Broadband Applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram; Chowdhury, Indranil

2011-01-01

Fast iterative algorithms are often used for solving Method of Moments (MoM) systems, having a large number of unknowns, to determine current distribution and other parameters. The most commonly used fast methods include the fast multipole method (FMM), the precorrected fast Fourier transform (PFFT), and low-rank QR compression methods. These methods reduce the O(N) memory and time requirements to O(N log N) by compressing the dense MoM system so as to exploit the physics of Green s Function interactions. FFT-based techniques for solving such problems are efficient for spacefilling and uniform structures, but their performance substantially degrades for non-uniformly distributed structures due to the inherent need to employ a uniform global grid. FMM or QR techniques are better suited than FFT techniques; however, neither the FMM nor the QR technique can be used at all frequencies. This method has been developed to efficiently solve for a desired parameter of a system or device that can include both electrically large FMM elements, and electrically small QR elements. The system or device is set up as an oct-tree structure that can include regions of both the FMM type and the QR type. The system is enclosed with a cube at a 0- th level, splitting the cube at the 0-th level into eight child cubes. This forms cubes at a 1st level, recursively repeating the splitting process for cubes at successive levels until a desired number of levels is created. For each cube that is thus formed, neighbor lists and interaction lists are maintained. An iterative solver is then used to determine a first matrix vector product for any electrically large elements as well as a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large and small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within the predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter. The solution for the desired parameter is then presented to a user in a tangible form; for example, on a display.

Nutritional and behavioral effects of gorge and fast feeding in captive lions.

PubMed

Altman, Joanne D; Gross, Kathy L; Lowry, Stephen R

2005-01-01

Nonhuman animals in captivity manifest behaviors and physiological conditions that are not common in the wild. Lions in captivity face problems of obesity, inactivity, and stereotypy. To mediate common problems of captive lions, this study implemented a gorge and fast feeding schedule that better models naturalistic patterns: African lions (Panthera leo) gradually adapted from a conventional feeding program to a random gorge and fast feeding schedule. Digestibility increased significantly and food intake and metabolizable energy intake correspondingly decreased. Lions also showed an increase in appetitive active behaviors, no increase in agonistic behavior, and paced half as frequently on fast days as on feeding days. Thus, switching captive lions to a gorge and fast feeding schedule resulted in improved nutritional status and increased activity.

Distributed Adaptive Binary Quantization for Fast Nearest Neighbor Search.

PubMed

Xianglong Liu; Zhujin Li; Cheng Deng; Dacheng Tao

2017-11-01

Hashing has been proved an attractive technique for fast nearest neighbor search over big data. Compared with the projection based hashing methods, prototype-based ones own stronger power to generate discriminative binary codes for the data with complex intrinsic structure. However, existing prototype-based methods, such as spherical hashing and K-means hashing, still suffer from the ineffective coding that utilizes the complete binary codes in a hypercube. To address this problem, we propose an adaptive binary quantization (ABQ) method that learns a discriminative hash function with prototypes associated with small unique binary codes. Our alternating optimization adaptively discovers the prototype set and the code set of a varying size in an efficient way, which together robustly approximate the data relations. Our method can be naturally generalized to the product space for long hash codes, and enjoys the fast training linear to the number of the training data. We further devise a distributed framework for the large-scale learning, which can significantly speed up the training of ABQ in the distributed environment that has been widely deployed in many areas nowadays. The extensive experiments on four large-scale (up to 80 million) data sets demonstrate that our method significantly outperforms state-of-the-art hashing methods, with up to 58.84% performance gains relatively.

The constant threat from a non-native predator increases tail muscle and fast-start swimming performance in Xenopus tadpoles.

PubMed

Mori, Tsukasa; Yanagisawa, Yukio; Kitani, Yoichiro; Yamamoto, Goshi; Goto-Inoue, Naoko; Kimura, Tadashi; Kashiwagi, Keiko; Kashiwagi, Akihiko

2017-11-15

Predator-induced phenotypic plasticity is the ability of prey to adapt to their native predator. However, owing to environmental changes, encounters with unknown predators are inevitable. Therefore, study of prey and non-native predator interaction will reveal the primary stages of adaptive strategies in prey-predator interactions in the context of evolutionary processes. Here, Xenopus tadpoles exposed to a non-native predator, a larval salamander, showed a significant increase in body weight and tail length to body length ratio. The T max 2 test indicated a significant enhancement of the tail muscle and decrease in the relative ventral fin height in tadpoles exposed to predation risk, leading to significantly higher average swimming speeds. The analysis of muscle-related metabolites revealed that sarcosine increased significantly in tadpoles exposed to non-native predators. Multiple linear regression analysis of the fast-start swimming pattern showed that the fast-start swimming speed was determined by the time required for a tadpole to bend its body away from the threat (C-start) and the angle at which it was bent. In conclusion, morphological changes in tadpoles were functionally adaptive and induced by survival behaviors of Xenopus tadpoles against non-native predators. © 2017. Published by The Company of Biologists Ltd.

Adaptive AFM scan speed control for high aspect ratio fast structure tracking

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

Ahmad, Ahmad; Schuh, Andreas; Rangelow, Ivo W.

2014-10-15

Improved imaging rates in Atomic Force Microscopes (AFM) are of high interest for disciplines such as life sciences and failure analysis of semiconductor wafers, where the sample topology shows high aspect ratios. Also, fast imaging is necessary to cover a large surface under investigation in reasonable times. Since AFMs are composed of mechanical components, they are associated with comparably low resonance frequencies that undermine the effort to increase the acquisition rates. In particular, high and steep structures are difficult to follow, which causes the cantilever to temporarily loose contact to or crash into the sample. Here, we report on amore » novel approach that does not affect the scanner dynamics, but adapts the lateral scanning speed of the scanner. The controller monitors the control error signal and, only when necessary, decreases the scan speed to allow the z-piezo more time to react to changes in the sample's topography. In this case, the overall imaging rate can be significantly increased, because a general scan speed trade-off decision is not needed and smooth areas are scanned fast. In contrast to methods trying to increase the z-piezo bandwidth, our method is a comparably simple approach that can be easily adapted to standard systems.« less

Analytical approach to an integrate-and-fire model with spike-triggered adaptation

NASA Astrophysics Data System (ADS)

Schwalger, Tilo; Lindner, Benjamin

2015-12-01

The calculation of the steady-state probability density for multidimensional stochastic systems that do not obey detailed balance is a difficult problem. Here we present the analytical derivation of the stationary joint and various marginal probability densities for a stochastic neuron model with adaptation current. Our approach assumes weak noise but is valid for arbitrary adaptation strength and time scale. The theory predicts several effects of adaptation on the statistics of the membrane potential of a tonically firing neuron: (i) a membrane potential distribution with a convex shape, (ii) a strongly increased probability of hyperpolarized membrane potentials induced by strong and fast adaptation, and (iii) a maximized variability associated with the adaptation current at a finite adaptation time scale.

Fast Lossless Compression of Multispectral-Image Data

NASA Technical Reports Server (NTRS)

Klimesh, Matthew

2006-01-01

An algorithm that effects fast lossless compression of multispectral-image data is based on low-complexity, proven adaptive-filtering algorithms. This algorithm is intended for use in compressing multispectral-image data aboard spacecraft for transmission to Earth stations. Variants of this algorithm could be useful for lossless compression of three-dimensional medical imagery and, perhaps, for compressing image data in general.

Application of washed rumen technique for rapid determination of fasting heat production in steers

USDA-ARS?s Scientific Manuscript database

Two experiments were conducted to evaluate the use of a washed rumen technique as an alternative approach for determining fasting HP in cattle. In Exp. 1, 8 Holstein steers (322±30 kg) were adapted to a cubed alfalfa-based diet (1.5xNEm) for 10 d. After which steers were placed into individual hea...

Adaptation of rat soleus muscles to 4 wk of intermittent strain

NASA Technical Reports Server (NTRS)

Stauber, W. T.; Miller, G. R.; Grimmett, J. G.; Knack, K. K.

1994-01-01

The effect of repeated strains on rat soleus muscles was investigated by stretching active muscles 3 times/wk for 4 wk with two different methods of stretching. The adaptation of myofibers and noncontractile tissue was followed by histochemical techniques and computer-assisted image analysis. Muscle hypertrophy was seen in the slow-stretched muscles, which increased in mass by 13% and increased in myofiber cross-sectional area by 30%. In the fast-stretched muscle, mass increased by 10% but myofiber cross-sectional area actually decreased. This decrease in mean fiber area was the result of a population of very small fibers (population A) that coexisted with slightly smaller normal-sized fibers (population B). Fibers in population A did not have the distribution expected from atrophy compared with atrophic fibers from unloaded muscles; they were much smaller. In addition, there was a 44% increase in noncontractile tissue in the fast-stretched muscles. Thus, soleus muscles subjected to repeated strains respond differently to slow and fast stretching. Slow stretching results in typical muscle hypertrophy, whereas fast stretching produces somewhat larger muscles but with a mixture of small and normal-sized myofibers accompanied by a marked proliferation of noncontractile tissue.

Fast super-resolution with affine motion using an adaptive Wiener filter and its application to airborne imaging.

PubMed

Hardie, Russell C; Barnard, Kenneth J; Ordonez, Raul

2011-12-19

Fast nonuniform interpolation based super-resolution (SR) has traditionally been limited to applications with translational interframe motion. This is in part because such methods are based on an underlying assumption that the warping and blurring components in the observation model commute. For translational motion this is the case, but it is not true in general. This presents a problem for applications such as airborne imaging where translation may be insufficient. Here we present a new Fourier domain analysis to show that, for many image systems, an affine warping model with limited zoom and shear approximately commutes with the point spread function when diffraction effects are modeled. Based on this important result, we present a new fast adaptive Wiener filter (AWF) SR algorithm for non-translational motion and study its performance with affine motion. The fast AWF SR method employs a new smart observation window that allows us to precompute all the needed filter weights for any type of motion without sacrificing much of the full performance of the AWF. We evaluate the proposed algorithm using simulated data and real infrared airborne imagery that contains a thermal resolution target allowing for objective resolution analysis.

Performance comparisons on spatial lattice algorithm and direct matrix inverse method with application to adaptive arrays processing

NASA Technical Reports Server (NTRS)

An, S. H.; Yao, K.

1986-01-01

Lattice algorithm has been employed in numerous adaptive filtering applications such as speech analysis/synthesis, noise canceling, spectral analysis, and channel equalization. In this paper the application to adaptive-array processing is discussed. The advantages are fast convergence rate as well as computational accuracy independent of the noise and interference conditions. The results produced by this technique are compared to those obtained by the direct matrix inverse method.

Determination of plasma displacement based on eddy current diagnostics for the Keda Torus eXperiment

NASA Astrophysics Data System (ADS)

Tu, Cui; Li, Hong; Liu, Adi; Li, Zichao; Zhang, Yuan; You, Wei; Tan, Mingsheng; Luo, Bing; Adil, Yolbarsop; Hu, Jintong; Wu, Yanqi; Yan, Wentan; Xie, Jinlin; Lan, Tao; Mao, Wenzhe; Ding, Weixing; Xiao, Chijin; Zhuang, Ge; Liu, Wandong

2017-10-01

The measurement of plasma displacement is one of the most basic diagnostic tools in the study of plasma equilibrium and control in a toroidal magnetic confinement configuration. During pulse discharge, the eddy current induced in the vacuum vessel and shell will produce an additional magnetic field at the plasma boundary, which will have a significant impact on the measurement of plasma displacement using magnetic probes. In the newly built Keda Torus eXperiment (KTX) reversed field pinch device, the eddy current in the composite shell can be obtained at a high spatial resolution. This device offers a new way to determine the plasma displacement for KTX through the multipole moment expansion of the eddy current, which can be obtained by unique probe arrays installed on the inner and outer surfaces of the composite shell. In an ideal conductor shell approximation, the method of multipole moment expansion of the poloidal eddy current for measuring the plasma displacement in toroidal coordinates, is more accurate than the previous method based on symmetrical magnetic probes, which yielded results in cylindrical coordinates. Through an analytical analysis of many current filaments and numerical simulations of the current distribution in toroidal coordinates, the scaling relation between the first moment of the eddy current and the center of gravity of the plasma current is obtained. In addition, the origin of the multipole moment expansion of the eddy current in KTX is retrieved simultaneously. Preliminary data on the plasma displacement have been collected using these two methods during short pulse discharges in the KTX device, and the results of the two methods are in reasonable agreement.

Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning

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

Ivanov, Maxim V.; Talipov, Marat R.; Timerghazin, Qadir K., E-mail: qadir.timerghazin@marquette.edu

2015-10-07

Atom-centered point charge (PC) model of the molecular electrostatics—a major workhorse of the atomistic biomolecular simulations—is usually parameterized by least-squares (LS) fitting of the point charge values to a reference electrostatic potential, a procedure that suffers from numerical instabilities due to the ill-conditioned nature of the LS problem. To reveal the origins of this ill-conditioning, we start with a general treatment of the point charge fitting problem as an inverse problem and construct an analytical model with the point charges spherically arranged according to Lebedev quadrature which is naturally suited for the inverse electrostatic problem. This analytical model is contrastedmore » to the atom-centered point-charge model that can be viewed as an irregular quadrature poorly suited for the problem. This analysis shows that the numerical problems of the point charge fitting are due to the decay of the curvatures corresponding to the eigenvectors of LS sum Hessian matrix. In part, this ill-conditioning is intrinsic to the problem and is related to decreasing electrostatic contribution of the higher multipole moments, that are, in the case of Lebedev grid model, directly associated with the Hessian eigenvectors. For the atom-centered model, this association breaks down beyond the first few eigenvectors related to the high-curvature monopole and dipole terms; this leads to even wider spread-out of the Hessian curvature values. Using these insights, it is possible to alleviate the ill-conditioning of the LS point-charge fitting without introducing external restraints and/or constraints. Also, as the analytical Lebedev grid PC model proposed here can reproduce multipole moments up to a given rank, it may provide a promising alternative to including explicit multipole terms in a force field.« 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.

Magnetar giant flares in multipolar magnetic fields. I. Fully and partially open eruptions of flux ropes

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

Huang, Lei; Yu, Cong, E-mail: muduri@shao.ac.cn, E-mail: cyu@ynao.ac.cn

2014-04-01

We propose a catastrophic eruption model for the enormous energy release of magnetars during giant flares, in which a toroidal and helically twisted flux rope is embedded within a force-free magnetosphere. The flux rope stays in stable equilibrium states initially and evolves quasi-statically. Upon the loss of equilibrium, the flux rope cannot sustain the stable equilibrium states and erupts catastrophically. During the process, the magnetic energy stored in the magnetosphere is rapidly released as the result of destabilization of global magnetic topology. The magnetospheric energy that could be accumulated is of vital importance for the outbursts of magnetars. We carefullymore » establish the fully open fields and partially open fields for various boundary conditions at the magnetar surface and study the relevant energy thresholds. By investigating the magnetic energy accumulated at the critical catastrophic point, we find that it is possible to drive fully open eruptions for dipole-dominated background fields. Nevertheless, it is hard to generate fully open magnetic eruptions for multipolar background fields. Given the observational importance of the multipolar magnetic fields in the vicinity of the magnetar surface, it would be worthwhile to explore the possibility of the alternative eruption approach in multipolar background fields. Fortunately, we find that flux ropes may give rise to partially open eruptions in the multipolar fields, which involve only partial opening of background fields. The energy release fractions are greater for cases with central-arcaded multipoles than those with central-caved multipoles that emerged in background fields. Eruptions would fail only when the centrally caved multipoles become extremely strong.« less

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.

Examination of food chain-derived Listeria monocytogenes strains of different serotypes reveals considerable diversity in inlA genotypes, mutability, and adaptation to cold temperatures.

PubMed

Kovacevic, Jovana; Arguedas-Villa, Carolina; Wozniak, Anna; Tasara, Taurai; Allen, Kevin J

2013-03-01

Listeria monocytogenes strains belonging to serotypes 1/2a and 4b are frequently linked to listeriosis. While inlA mutations leading to premature stop codons (PMSCs) and attenuated virulence are common in 1/2a, they are rare in serotype 4b. We observed PMSCs in 35% of L. monocytogenes isolates (n = 54) recovered from the British Columbia food supply, including serotypes 1/2a (30%), 1/2c (100%), and 3a (100%), and a 3-codon deletion (amino acid positions 738 to 740) seen in 57% of 4b isolates from fish-processing facilities. Caco-2 invasion assays showed that two isolates with the deletion were significantly more invasive than EGD-SmR (P < 0.0001) and were either as (FF19-1) or more (FE13-1) invasive than a clinical control strain (08-5578) (P = 0.006). To examine whether serotype 1/2a was more likely to acquire mutations than other serotypes, strains were plated on agar with rifampin, revealing 4b isolates to be significantly more mutable than 1/2a, 1/2c, and 3a serotypes (P = 0.0002). We also examined the ability of 33 strains to adapt to cold temperature following a downshift from 37°C to 4°C. Overall, three distinct cold-adapting groups (CAG) were observed: 46% were fast (<70 h), 39% were intermediate (70 to 200 h), and 15% were slow (>200 h) adaptors. Intermediate CAG strains (70%) more frequently possessed inlA PMSCs than did fast (20%) and slow (10%) CAGs; in contrast, 87% of fast adaptors lacked inlA PMSCs. In conclusion, we report food chain-derived 1/2a and 4b serotypes with a 3-codon deletion possessing invasive behavior and the novel association of inlA genotypes encoding a full-length InlA with fast cold-adaptation phenotypes.

Fast graph-based relaxed clustering for large data sets using minimal enclosing ball.

PubMed

Qian, Pengjiang; Chung, Fu-Lai; Wang, Shitong; Deng, Zhaohong

2012-06-01

Although graph-based relaxed clustering (GRC) is one of the spectral clustering algorithms with straightforwardness and self-adaptability, it is sensitive to the parameters of the adopted similarity measure and also has high time complexity O(N(3)) which severely weakens its usefulness for large data sets. In order to overcome these shortcomings, after introducing certain constraints for GRC, an enhanced version of GRC [constrained GRC (CGRC)] is proposed to increase the robustness of GRC to the parameters of the adopted similarity measure, and accordingly, a novel algorithm called fast GRC (FGRC) based on CGRC is developed in this paper by using the core-set-based minimal enclosing ball approximation. A distinctive advantage of FGRC is that its asymptotic time complexity is linear with the data set size N. At the same time, FGRC also inherits the straightforwardness and self-adaptability from GRC, making the proposed FGRC a fast and effective clustering algorithm for large data sets. The advantages of FGRC are validated by various benchmarking and real data sets.

The impact of weight classification on safety: timing steps to adapt to external constraints

PubMed Central

Gill, S.V.

2015-01-01

Objectives: The purpose of the current study was to evaluate how weight classification influences safety by examining adults’ ability to meet a timing constraint: walking to the pace of an audio metronome. Methods: With a cross-sectional design, walking parameters were collected as 55 adults with normal (n=30) and overweight (n=25) body mass index scores walked to slow, normal, and fast audio metronome paces. Results: Between group comparisons showed that at the fast pace, those with overweight body mass index (BMI) had longer double limb support and stance times and slower cadences than the normal weight group (all ps<0.05). Examinations of participants’ ability to meet the metronome paces revealed that participants who were overweight had higher cadences at the slow and fast paces (all ps<0.05). Conclusions: Findings suggest that those with overweight BMI alter their gait to maintain biomechanical stability. Understanding how excess weight influences gait adaptation can inform interventions to improve safety for individuals with obesity. PMID:25730658