Revision of FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions
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
An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian coordinates, which is considerably simpler. Under open boundary conditions, an expression for multipole moments of point dipoles in a cell is derived. These make the program appropriate for nanomagnetic simulations, including magnetic nanoparticles and ferrofluids. The performance is optimized in terms of cell size and parameter set (expansion order and opening angle) and the trade off between computing time and accuracy is quantitatively studied. A rule of thumb is proposed to decide the appropriate average number of dipoles in the smallest cells, and an optimal choice of parameter set is suggested. Finally, the superiority of Cartesian coordinate FMM is demonstrated by comparison to spherical harmonics FMM and FFT.
Zhang, Wen
2008-01-01
An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in cartesian coordinates, which is considerably simpler. Under open boundary conditions, an expression for multipole moments of point dipoles in a cell is derived. These make the program appropriate for nanomagnetic simulations, including magnetic nanoparticles and ferrofluids. The performance is optimized in terms of cell size and parameter set (expansion order and opening angle) and trade off between computing time and accuracy is quantitatively studied. A rule of thumb is proposed to decide the average number of dipoles in the smallest cells, and an optimal choice of parameter set is suggested.
Simple recursive implementation of fast multipole method
In this paper we present an implementation of the well known 'fast multipole' method (FMM) for the efficient calculation of dipole fields. The main advantage of the present implementation is simplicity-we believe that a major reason for the lack of use of FMMs is their complexity. One of the simplifications is the use of polynomials in the Cartesian coordinates rather than spherical harmonics. We have implemented it in the context of an arbitrary hierarchical system of cells-no periodic mesh is required, as it is for FFT (fast Fourier transform) methods. The implementation is in terms of recursive functions. Results are given for application to micromagnetic simulation. Complete source code is provided for an open-source implementation of this method, as well as an installer for the resulting program.
Scalable force directed graph layout algorithms using fast multipole methods
Yunis, Enas
2012-06-01
We present an extension to ExaFMM, a Fast Multipole Method library, as a generalized approach for fast and scalable execution of the Force-Directed Graph Layout algorithm. The Force-Directed Graph Layout algorithm is a physics-based approach to graph layout that treats the vertices V as repelling charged particles with the edges E connecting them acting as springs. Traditionally, the amount of work required in applying the Force-Directed Graph Layout algorithm is O(|V|2 + |E|) using direct calculations and O(|V| log |V| + |E|) using truncation, filtering, and/or multi-level techniques. Correct application of the Fast Multipole Method allows us to maintain a lower complexity of O(|V| + |E|) while regaining most of the precision lost in other techniques. Solving layout problems for truly large graphs with millions of vertices still requires a scalable algorithm and implementation. We have been able to leverage the scalability and architectural adaptability of the ExaFMM library to create a Force-Directed Graph Layout implementation that runs efficiently on distributed multicore and multi-GPU architectures. © 2012 IEEE.
Scalable fast multipole accelerated vortex methods
Hu, Qi
2014-05-01
The fast multipole method (FMM) is often used to accelerate the calculation of particle interactions in particle-based methods to simulate incompressible flows. To evaluate the most time-consuming kernels - the Biot-Savart equation and stretching term of the vorticity equation, we mathematically reformulated it so that only two Laplace scalar potentials are used instead of six. This automatically ensuring divergence-free far-field computation. Based on this formulation, we developed a new FMM-based vortex method on heterogeneous architectures, which distributed the work between multicore CPUs and GPUs to best utilize the hardware resources and achieve excellent scalability. The algorithm uses new data structures which can dynamically manage inter-node communication and load balance efficiently, with only a small parallel construction overhead. This algorithm can scale to large-sized clusters showing both strong and weak scalability. Careful error and timing trade-off analysis are also performed for the cutoff functions induced by the vortex particle method. Our implementation can perform one time step of the velocity+stretching calculation for one billion particles on 32 nodes in 55.9 seconds, which yields 49.12 Tflop/s.
Performance Benchmarking of Fast Multipole Methods
Al-Harthi, Noha A.
2013-06-01
The current trends in computer architecture are shifting towards smaller byte/flop ratios, while available parallelism is increasing at all levels of granularity – vector length, core count, and MPI process. Intel’s Xeon Phi coprocessor, NVIDIA’s Kepler GPU, and IBM’s BlueGene/Q all have a Byte/flop ratio close to 0.2, which makes it very difficult for most algorithms to extract a high percentage of the theoretical peak flop/s from these architectures. Popular algorithms in scientific computing such as FFT are continuously evolving to keep up with this trend in hardware. In the meantime it is also necessary to invest in novel algorithms that are more suitable for computer architectures of the future. The fast multipole method (FMM) was originally developed as a fast algorithm for ap- proximating the N-body interactions that appear in astrophysics, molecular dynamics, and vortex based fluid dynamics simulations. The FMM possesses have a unique combination of being an efficient O(N) algorithm, while having an operational intensity that is higher than a matrix-matrix multiplication. In fact, the FMM can reduce the requirement of Byte/flop to around 0.01, which means that it will remain compute bound until 2020 even if the cur- rent trend in microprocessors continues. Despite these advantages, there have not been any benchmarks of FMM codes on modern architectures such as Xeon Phi, Kepler, and Blue- Gene/Q. This study aims to provide a comprehensive benchmark of a state of the art FMM code “exaFMM” on the latest architectures, in hopes of providing a useful reference for deciding when the FMM will become useful as the computational engine in a given application code. It may also serve as a warning to certain problem size domains areas where the FMM will exhibit insignificant performance improvements. Such issues depend strongly on the asymptotic constants rather than the asymptotics themselves, and therefore are strongly implementation and hardware
A new simple multidomain fast multipole boundary element method
Huang, S.; Liu, Y. J.
2016-09-01
A simple multidomain fast multipole boundary element method (BEM) for solving potential problems is presented in this paper, which can be applied to solve a true multidomain problem or a large-scale single domain problem using the domain decomposition technique. In this multidomain BEM, the coefficient matrix is formed simply by assembling the coefficient matrices of each subdomain and the interface conditions between subdomains without eliminating any unknown variables on the interfaces. Compared with other conventional multidomain BEM approaches, this new approach is more efficient with the fast multipole method, regardless how the subdomains are connected. Instead of solving the linear system of equations directly, the entire coefficient matrix is partitioned and decomposed using Schur complement in this new approach. Numerical results show that the new multidomain fast multipole BEM uses fewer iterations in most cases with the iterative equation solver and less CPU time than the traditional fast multipole BEM in solving large-scale BEM models. A large-scale fuel cell model with more than 6 million elements was solved successfully on a cluster within 3 h using the new multidomain fast multipole BEM.
A new simple multidomain fast multipole boundary element method
Huang, S.; Liu, Y. J.
2016-06-01
A simple multidomain fast multipole boundary element method (BEM) for solving potential problems is presented in this paper, which can be applied to solve a true multidomain problem or a large-scale single domain problem using the domain decomposition technique. In this multidomain BEM, the coefficient matrix is formed simply by assembling the coefficient matrices of each subdomain and the interface conditions between subdomains without eliminating any unknown variables on the interfaces. Compared with other conventional multidomain BEM approaches, this new approach is more efficient with the fast multipole method, regardless how the subdomains are connected. Instead of solving the linear system of equations directly, the entire coefficient matrix is partitioned and decomposed using Schur complement in this new approach. Numerical results show that the new multidomain fast multipole BEM uses fewer iterations in most cases with the iterative equation solver and less CPU time than the traditional fast multipole BEM in solving large-scale BEM models. A large-scale fuel cell model with more than 6 million elements was solved successfully on a cluster within 3 h using the new multidomain fast multipole BEM.
Gaussian translation operator for Multi-Level Fast Multipole Method
Borries, Oscar Peter; Hansen, Per Christian; Sorensen, Stig B.; Meincke, Peter; Jorgensen, Erik
Results using a new translation operator for the Multi-Level Fast Multipole Method are presented. Based on Gaussian beams, the translation operator allows a significant portion of the plane-wave directions to be neglected, resulting in a much faster translation step.......Results using a new translation operator for the Multi-Level Fast Multipole Method are presented. Based on Gaussian beams, the translation operator allows a significant portion of the plane-wave directions to be neglected, resulting in a much faster translation step....
Chang-Jun Zheng; Hai-Bo Chen; Lei-Lei Chen
2013-01-01
This paper presents a novel wideband fast multipole boundary element approach to 3D half-space/planesymmetric acoustic wave problems.The half-space fundamental solution is employed in the boundary integral equations so that the tree structure required in the fast multipole algorithm is constructed for the boundary elements in the real domain only.Moreover,a set of symmetric relations between the multipole expansion coefficients of the real and image domains are derived,and the half-space fundamental solution is modified for the purpose of applying such relations to avoid calculating,translating and saving the multipole/local expansion coefficients of the image domain.The wideband adaptive multilevel fast multipole algorithm associated with the iterative solver GMRES is employed so that the present method is accurate and efficient for both lowand high-frequency acoustic wave problems.As for exterior acoustic problems,the Burton-Miller method is adopted to tackle the fictitious eigenfrequency problem involved in the conventional boundary integral equation method.Details on the implementation of the present method are described,and numerical examples are given to demonstrate its accuracy and efficiency.
Multilevel Fast Multipole Method for Higher Order Discretizations
Borries, Oscar Peter; Meincke, Peter; Jorgensen, Erik; Hansen, Per Christian
2014-01-01
The multi-level fast multipole method (MLFMM) for a higher order (HO) discretization is demonstrated on high-frequency (HF) problems, illustrating for the first time how an efficient MLFMM for HO can be achieved even for very large groups. Applying several novel ideas, beneficial to both lower...
Data-driven execution of fast multipole methods
Ltaief, Hatem
2013-09-17
Fast multipole methods (FMMs) have O (N) complexity, are compute bound, and require very little synchronization, which makes them a favorable algorithm on next-generation supercomputers. Their most common application is to accelerate N-body problems, but they can also be used to solve boundary integral equations. When the particle distribution is irregular and the tree structure is adaptive, load balancing becomes a non-trivial question. A common strategy for load balancing FMMs is to use the work load from the previous step as weights to statically repartition the next step. The authors discuss in the paper another approach based on data-driven execution to efficiently tackle this challenging load balancing problem. The core idea consists of breaking the most time-consuming stages of the FMMs into smaller tasks. The algorithm can then be represented as a directed acyclic graph where nodes represent tasks and edges represent dependencies among them. The execution of the algorithm is performed by asynchronously scheduling the tasks using the queueing and runtime for kernels runtime environment, in a way such that data dependencies are not violated for numerical correctness purposes. This asynchronous scheduling results in an out-of-order execution. The performance results of the data-driven FMM execution outperform the previous strategy and show linear speedup on a quad-socket quad-core Intel Xeon system.Copyright © 2013 John Wiley & Sons, Ltd. Copyright © 2013 John Wiley & Sons, Ltd.
Electrical impedance tomography and the fast multipole method
Bikowski, Jutta; Mueller, Jennifer L.
2004-10-01
A 3-D linearization-based reconstruction algorithm for Electrical Impedance Tomography suitable for breast cancer detection using data collected on a rectangular array was introduced by Mueller et al. [IEEE Biomed. Eng., 46(11), 1999]. By considering the scenario as an electrostatic problem, it is possible to model the electrodes with various charges, facilitating the use of the Fast Multipole Method (FMM) for calculating particle interactions and also supporting the use of different electrode models. In this paper the use of FMM is explained and results in form of reconstructed images from experimental data show that this method is an improvement.
Fourier-Based Fast Multipole Method for the Helmholtz Equation
Cecka, Cris
2013-01-01
The fast multipole method (FMM) has had great success in reducing the computational complexity of solving the boundary integral form of the Helmholtz equation. We present a formulation of the Helmholtz FMM that uses Fourier basis functions rather than spherical harmonics. By modifying the transfer function in the precomputation stage of the FMM, time-critical stages of the algorithm are accelerated by causing the interpolation operators to become straightforward applications of fast Fourier transforms, retaining the diagonality of the transfer function, and providing a simplified error analysis. Using Fourier analysis, constructive algorithms are derived to a priori determine an integration quadrature for a given error tolerance. Sharp error bounds are derived and verified numerically. Various optimizations are considered to reduce the number of quadrature points and reduce the cost of computing the transfer function. © 2013 Society for Industrial and Applied Mathematics.
Pipelining the Fast Multipole Method over a Runtime System
Agullo, Emmanuel; Coulaud, Olivier; Darve, Eric; Messner, Matthias; Toru, Takahashi
2012-01-01
Fast Multipole Methods (FMM) are a fundamental operation for the simulation of many physical problems. The high performance design of such methods usually requires to carefully tune the algorithm for both the targeted physics and the hardware. In this paper, we propose a new approach that achieves high performance across architectures. Our method consists of expressing the FMM algorithm as a task flow and employing a state-of-the-art runtime system, StarPU, in order to process the tasks on the different processing units. We carefully design the task flow, the mathematical operators, their Central Processing Unit (CPU) and Graphics Processing Unit (GPU) implementations, as well as scheduling schemes. We compute potentials and forces of 200 million particles in 48.7 seconds on a homogeneous 160 cores SGI Altix UV 100 and of 38 million particles in 13.34 seconds on a heterogeneous 12 cores Intel Nehalem processor enhanced with 3 Nvidia M2090 Fermi GPUs.
Scalable fast multipole methods for vortex element methods
Hu, Qi
2012-11-01
We use a particle-based method to simulate incompressible flows, where the Fast Multipole Method (FMM) is used to accelerate the calculation of particle interactions. The most time-consuming kernelsâ\\'the Biot-Savart equation and stretching term of the vorticity equationâ\\'are mathematically reformulated so that only two Laplace scalar potentials are used instead of six, while automatically ensuring divergence-free far-field computation. Based on this formulation, and on our previous work for a scalar heterogeneous FMM algorithm, we develop a new FMM-based vortex method capable of simulating general flows including turbulence on heterogeneous architectures, which distributes the work between multi-core CPUs and GPUs to best utilize the hardware resources and achieve excellent scalability. The algorithm also uses new data structures which can dynamically manage inter-node communication and load balance efficiently but with only a small parallel construction overhead. This algorithm can scale to large-sized clusters showing both strong and weak scalability. Careful error and timing trade-off analysis are also performed for the cutoff functions induced by the vortex particle method. Our implementation can perform one time step of the velocity+stretching for one billion particles on 32 nodes in 55.9 seconds, which yields 49.12 Tflop/s. © 2012 IEEE.
A task parallel implementation of fast multipole methods
Taura, Kenjiro
2012-11-01
This paper describes a task parallel implementation of ExaFMM, an open source implementation of fast multipole methods (FMM), using a lightweight task parallel library MassiveThreads. Although there have been many attempts on parallelizing FMM, experiences have almost exclusively been limited to formulation based on flat homogeneous parallel loops. FMM in fact contains operations that cannot be readily expressed in such conventional but restrictive models. We show that task parallelism, or parallel recursions in particular, allows us to parallelize all operations of FMM naturally and scalably. Moreover it allows us to parallelize a \\'\\'mutual interaction\\'\\' for force/potential evaluation, which is roughly twice as efficient as a more conventional, unidirectional force/potential evaluation. The net result is an open source FMM that is clearly among the fastest single node implementations, including those on GPUs; with a million particles on a 32 cores Sandy Bridge 2.20GHz node, it completes a single time step including tree construction and force/potential evaluation in 65 milliseconds. The study clearly showcases both programmability and performance benefits of flexible parallel constructs over more monolithic parallel loops. © 2012 IEEE.
Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul
2015-11-01
Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.
Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages
Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)
2015-11-14
Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.
A fast multipole boundary element method for three dimensional potential flow problems
TENG Bin; NING Dezhi; GOU Ying
2004-01-01
A fast multipole methodology (FMM) is developed as a numerical approach to reduce the computational cost and memory requirements in solving large-scale problems. It is applied to the boundary element method (BEM) for threedimensional potential flow problems. The algorithm based on mixed multipole expansion and numerical integration is implemented in combination with an iterative solver. Numerical examinations, on Dirichlet and Neumann problems,are carried out to demonstrate the capability and accuracy of the present method. It has been shown that the method has evident advantages in saving memory and computing time when used to solve huge-scale problems which may be prohibitive for the traditional BEM implementation.
Palmesi, Pietro; Bruckner, Florian; Abert, Claas; Suess, Dieter
2016-01-01
The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Improvements both on a numerical and computational basis can relief problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. We assume linearly magnetized tetrahedral sources, treat the near field directly and use analytical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.
Application of Fast Multipole Methods to the NASA Fast Scattering Code
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.
Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul
2015-03-14
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 10(3)-10(5) 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. PMID:25770527
The fast multipole method and point dipole moment polarizable force fields
Coles, Jonathan P.; Masella, Michel
2015-01-01
We present an implementation of the fast multipole method for computing Coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected O(N) scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using a standard integrator and a multiple time step integrator. Our tests show the applicability of fast multipole method combined with state-of-the-art chemical models in molecular dynamical systems.
The Fast Multipole Method and Point Dipole Moment Polarizable Force Fields
Coles, Jonathan P.; Masella, Michel
2014-01-01
We present an implementation of the fast multipole method for computing coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected $O(N)$ scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embed...
Ergul, Ozgur
2014-01-01
The Multilevel Fast Multipole Algorithm (MLFMA) for Solving Large-Scale Computational Electromagnetic Problems provides a detailed and instructional overview of implementing MLFMA. The book: Presents a comprehensive treatment of the MLFMA algorithm, including basic linear algebra concepts, recent developments on the parallel computation, and a number of application examplesCovers solutions of electromagnetic problems involving dielectric objects and perfectly-conducting objectsDiscusses applications including scattering from airborne targets, scattering from red
White, J.; Phillips, J.R.; Korsmeyer, T. [Massachusetts Institute of Technology, Cambridge, MA (United States)
1994-12-31
Mixed first- and second-kind surface integral equations with (1/r) and {partial_derivative}/{partial_derivative} (1/r) kernels are generated by a variety of three-dimensional engineering problems. For such problems, Nystroem type algorithms can not be used directly, but an expansion for the unknown, rather than for the entire integrand, can be assumed and the product of the singular kernal and the unknown integrated analytically. Combining such an approach with a Galerkin or collocation scheme for computing the expansion coefficients is a general approach, but generates dense matrix problems. Recently developed fast algorithms for solving these dense matrix problems have been based on multipole-accelerated iterative methods, in which the fast multipole algorithm is used to rapidly compute the matrix-vector products in a Krylov-subspace based iterative method. Another approach to rapidly computing the dense matrix-vector products associated with discretized integral equations follows more along the lines of a multigrid algorithm, and involves projecting the surface unknowns onto a regular grid, then computing using the grid, and finally interpolating the results from the regular grid back to the surfaces. Here, the authors describe a precorrectted-FFT approach which can replace the fast multipole algorithm for accelerating the dense matrix-vector product associated with discretized potential integral equations. The precorrected-FFT method, described below, is an order n log(n) algorithm, and is asymptotically slower than the order n fast multipole algorithm. However, initial experimental results indicate the method may have a significant constant factor advantage for a variety of engineering problems.
Error control of the vectorial nondirective stable plane wave multilevel fast multipole algorithm
Bogaert, Ignace; Peeters, Joris; De Zutter, Daniël
2011-01-01
Novel formulas are presented that allow the rapid estimation of the number of terms L that needs to be taken into account in the translation operator of the vectorial Nondirective Stable Plane Wave Multilevel Fast Multipole Algorithm (NSPWMLFMA). This is especially important for low frequencies, since the L needed for error-controllability can be substantially higher than the L required in the scalar case. Although these formulas were originally derived for use in the NSPWMLFMA, they are equa...
An efficient blocking M2L translation for low-frequency fast multipole method in three dimensions
Takahashi, Toru; Shimba, Yuta; Isakari, Hiroshi; Matsumoto, Toshiro
2016-05-01
We propose an efficient scheme to perform the multipole-to-local (M2L) translation in the three-dimensional low-frequency fast multipole method (LFFMM). Our strategy is to combine a group of matrix-vector products associated with M2L translation into a matrix-matrix product in order to diminish the memory traffic. For this purpose, we first developed a grouping method (termed as internal blocking) based on the congruent transformations (rotational and reflectional symmetries) of M2L-translators for each target box in the FMM hierarchy (adaptive octree). Next, we considered another method of grouping (termed as external blocking) that was able to handle M2L translations for multiple target boxes collectively by using the translational invariance of the M2L translation. By combining these internal and external blockings, the M2L translation can be performed efficiently whilst preservingthe numerical accuracy exactly. We assessed the proposed blocking scheme numerically and applied it to the boundary integral equation method to solve electromagnetic scattering problems for perfectly electrical conductor. From the numerical results, it was found that the proposed M2L scheme achieved a few times speedup compared to the non-blocking scheme.
Fast multipole acceleration of the MEG/EEG boundary element method
The accurate solution of the forward electrostatic problem is an essential first step before solving the inverse problem of magneto- and electroencephalography (MEG/EEG). The symmetric Galerkin boundary element method is accurate but cannot be used for very large problems because of its computational complexity and memory requirements. We describe a fast multipole-based acceleration for the symmetric boundary element method (BEM). It creates a hierarchical structure of the elements and approximates far interactions using spherical harmonics expansions. The accelerated method is shown to be as accurate as the direct method, yet for large problems it is both faster and more economical in terms of memory consumption
Periodic Boundary Conditions and the Error-Controlled Fast Multipole Method
Kabadshow, I.
2012-01-01
Die Simulation von paarweisen Wechselwirkungen für sehr große Teilchen-Ensembles ist eine wesentliche Aufgabe in der wissenschaftlichen Forschung. Besonders die Berechnung von langreichweitigen Wechselwirkungen legt der Systemgröße Beschränkungen auf, da die Anzahl der zu berechnenden Wechselwirkungen quadratisch mit der Anzahl der Teilchen skaliert. Schnelle Summationsverfahren wie die Fast Multipole Method (FMM) können dazu beitragen die Komplexität auf O(N) zu reduzieren. Diese Arbeit erwe...
Application of A Fast Multipole BIEM for Flow Diffraction from A 3D Body
滕斌; 宁德志
2004-01-01
A Fast Multipole Method (FMM) is developed as a numerical approach to the reduction of the computational cost and requirement memory capacity for a large in solving large-scale problems. In this paper it is applied to the boundary integral equation method (BIEM) for current diffraction from arbitrary 3D bodies. The boundary integral equation is discretized by higher order elements, the FMM is applied to avoid the matrix/vector product, and the resulting algebraic equation is solved by the Generalized Conjugate Residual method (GCR). Numerical examination shows that the FMM is more efficient than the direct evaluation method in computational cost and storage of computers.
Fast multipole boundary element analysis of 2D viscoelastic composites with imperfect interfaces
无
2010-01-01
A fast multipole boundary element method(FMBEM)is developed for the analysis of 2D linear viscoelastic composites with imperfect viscoelastic interfaces.The transformed fast multipole formulations are established using the time domain method. To simulate the viscoelastic behavior of imperfect interfaces that are frequently encountered in practice,the Kelvin type model is introduced.The FMBEM is further improved by incorporating naturally the interaction among inclusions as well as eliminating the phenomenon of material penetration.Since all the integrals are evaluated analytically,high accuracy and fast convergence of the numerical scheme are obtained.Several numerical examples,including planar viscoelastic composites with a single inclusion or randomly distributed multi-inclusions are presented.The numerical results are compared with the developed analytical solutions,which illustrates that the proposed FMBEM is very efficient in determining the macroscopic viscoelastic behavior of the particle-reinforced composites with the presence of imperfect interfaces.The laboratory measurements of the mixture creep compliance of asphalt concrete are also compared with the prediction by the developed model.
Nitadori, Keigo
2014-01-01
We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an extension of the particle mesh (PM) method and as an optimization of the fast multipole method (FMM).In the former viewpoint, the scalar density and potential held by a grid point are extended to multipole moments and local expansions in $(p+1)^2$ real numbers, where $p$ is the order of expansion. In the latter viewpoint, a hierarchical octree structure which brings its $\\mathcal O(N)$ nature, is replaced with a uniform mesh structure, and we exploit the convolution theorem with fast Fourier transform (FFT) to speed up the calculations. Hence, independent $(p+1)^2$ FFTs with the size equal to the number of grid points are performed. The fundamental idea is common to PPPM/MPE by Shimada et al. (1993) and FFTM by Ong et al. (2003). PMMM differs from them in supporting both the open ...
A Fast Multipole Algorithm with Virtual Cube Partitioning for 3-D Capacitance Extraction
YANGZhaozhi; WANGZeyi
2004-01-01
In this paper a fast indirect boundaryelement method based on the multipole algorithm for capacitance extraction of three-dimensional (3-D) geometries, virtual cube multipole algorithm, is described. First,each 2-D boundary element is regarded as a set of particles with charge rather than a single particle, so the relations between the positions of elements themselves are considered instead of the relations between the center-points of the elements, and a new strategy for cube partitioning is introduced. This strategy overcomes the inadequacy of the methods that associating panels to particles, does not need to break up every panel contained in more than one cube, and has higher speed and precision. Next, a new method is proposed to accelerate the potential integration between the panels that are near to each other. Making good use of the similarity in the 2-D boundary integration,the fast potential integral approach decreases the burden of direct potential computing. Experiments confirm that the algorithm is accurate and has nearly linear computational growth as O(nm), where n is the number of panels and rn is the number of conductors. The new algorithm is implemented and the performance is compared with previous algorithms, such as Fastcap2 of MIT, for k×k bus examples.
Periodic boundary conditions and the error-controlled fast multipole method
Kabadshow, Ivo
2012-08-22
The simulation of pairwise interactions in huge particle ensembles is a vital issue in scientific research. Especially the calculation of long-range interactions poses limitations to the system size, since these interactions scale quadratically with the number of particles. Fast summation techniques like the Fast Multipole Method (FMM) can help to reduce the complexity to O(N). This work extends the possible range of applications of the FMM to periodic systems in one, two and three dimensions with one unique approach. Together with a tight error control, this contribution enables the simulation of periodic particle systems for different applications without the need to know and tune the FMM specific parameters. The implemented error control scheme automatically optimizes the parameters to obtain an approximation for the minimal runtime for a given energy error bound.
Efficient analysis of dielectric radomes using multilevel fast multipole algorithm with CRWG basis
无
2008-01-01
A full-wave analysis of the electromagnetic problem of a three-dimensional (3-D) antenna radiating through a 3-D dielectric radome is preserued.The problem is formulated using the Poggio-Miller-Chang-Harrington-Wu(PMCHW) approach for homogeneous dielectric objects and the electric field integral equation for conducting objects.The integral equations are discretized by the method of moment (MoM),in which the conducting and dielectric surface/interfaces are represented by curvilinear triangular patches and the unknown equivalent electric and magnetic currents are expanded using curvilinear RWG basis functions.The resultant matrix equation is then solved by the multilevel fast multipole algorithm (MLFMA) and fast far-field approximation (FAFFA) is used to further accelerate the computation.The radiation patterns of dipole arrays in the presence of radomes are presented.The numerical results demonstrate the accuracy and versatility of this method.
Computing dislocation stress fields in anisotropic elastic media using fast multipole expansions
The calculation of stress fields due to dislocations and hence the forces they exert on each other is the most time consuming step in dislocation dynamics (DD) simulations. The fast multipole method (FMM) can reduce the computational cost at each simulation step from O(N2) to O(N) for an ensemble of N dislocation segments. However, FMM has not yet been applied to three-dimensional DD simulations which take into account anisotropic elasticity. We demonstrate a systematic procedure to establish this capability by first obtaining the derivatives of the elastic Green's function to arbitrary order for a medium of general anisotropy. We then compute the stress field of a dislocation loop using multipole expansions based on these derivatives, and analyze the dependence of numerical errors on the expansion order. This method can be implemented in large scale DD simulations when the consideration of elastic anisotropy is necessary, for example the technologically important cases of iron and ferritic steels at high temperatures. (paper)
Another preprocessing algorithm for generalized one-dimensional fast multipole method
The fast multipole method (FMM), which is originally an algorithm for fast evaluation of particle interactions, is also effective for accelerating several numerical computations. Yarvin and Rokhlin proposed 'generalized' FMM using the singular value decomposition (SVD), which gives the optimum low-rank approximation. Their algorithm reduces the computational costs of the FMM evaluation and frees the FMM from analytical approximation formulae. However, the computational complexity of the preprocessing for an NxN matrix is O(N3) because of the SVD, and it requires orthogonal matrices of the low-rank approximations. In this paper we propose another preprocessing algorithm for the generalized FMM. Our algorithm runs in time O(N2) even with the SVD and releases the low-rank approximations from orthogonal matrices. The triangularization by the QR decomposition with sparsification, which reduces the costs of the FMM more than the diagonalization, is enabled. Although the algorithm by Yarvin and Rokhlin can be accelerated to O(N2) using the QR decomposition, our preprocessing algorithm outperforms it in fast spherical filter, fast polynomial interpolation and fast Legendre transform
The Fast Multipole Method and Point Dipole Moment Polarizable Force Fields
Coles, Jonathan P
2014-01-01
We present a momentum conserving implementation of the fast multipole method for computing coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected $O(N)$ scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using both a standard integrator and a multiple time step one. Our tests show the applicability of FMM combined with state-of-the-art chemical models in molecular dynamical systems.
A Tuned and Scalable Fast Multipole Method as a Preeminent Algorithm for Exascale Systems
Yokota, Rio
2011-01-01
Achieving computing at the exascale means accelerating today's applications by one thousand times. Clearly, this cannot be accomplished by hardware alone, at least not in the short time frame expected for reaching this performance milestone. Thus, a lively discussion has begun in the last couple of years about programming models, software components and tools, and algorithms that will facilitate exascale computing. Among the algorithms that are likely to play a preeminent role in the new world of computing, the fast multipole method (F MM) appears as a rising star. Due to its hierarchical nature and the techniques used to access the data via a tree structure, it is not a locality-sensitive application. It also enjoys favorable synchronization patterns, again, of a hierarchical nature, where many operations can happen simultaneously at each level of the hierarchy. In this paper, we present a discussion of the features of the F MM that make it a particularly favorable algorithm for the emerging heterogeneous, m...
Pan Xiaomin; Sheng Xinqing
2008-01-01
A general and efficient parallel approach is proposed for the first time to parallelize the hybrid finite-element-boundary-integral-multi-level fast multipole algorithm (FE-BI-MLFMA). Among many algorithms of FE-BI-MLFMA, the decomposition algorithm (DA) is chosen as a basis for the parallelization of FE-BI-MLFMA because of its distinct numerical characteristics suitable for parallelization. On the basis of the DA, the parallelization of FE-BI-MLFMA is carried out by employing the parallelized multi-frontal method for the matrix from the finite-element method and the parallelized MLFMA for the matrix from the boundary integral method respectively. The programming and numerical experiments of the proposed parallel approach are carried out in the high perfor-mance computing platform CEMS-Liuhui. Numerical experiments demonstrate that FE-BI-MLFMA is efficiently parallelized and its computational capacity is greatly improved without losing accuracy, efficiency, and generality.
Toivanen, Elias A; Losilla, Sergio A; Sundholm, Dage
2015-12-21
Algorithms and working expressions for a grid-based fast multipole method (GB-FMM) have been developed and implemented. The computational domain is divided into cubic subdomains, organized in a hierarchical tree. The contribution to the electrostatic interaction energies from pairs of neighboring subdomains is computed using numerical integration, whereas the contributions from further apart subdomains are obtained using multipole expansions. The multipole moments of the subdomains are obtained by numerical integration. Linear scaling is achieved by translating and summing the multipoles according to the tree structure, such that each subdomain interacts with a number of subdomains that are almost independent of the size of the system. To compute electrostatic interaction energies of neighboring subdomains, we employ an algorithm which performs efficiently on general purpose graphics processing units (GPGPU). Calculations using one CPU for the FMM part and 20 GPGPUs consisting of tens of thousands of execution threads for the numerical integration algorithm show the scalability and parallel performance of the scheme. For calculations on systems consisting of Gaussian functions (α = 1) distributed as fullerenes from C20 to C720, the total computation time and relative accuracy (ppb) are independent of the system size. PMID:26006111
Jakobus, U.; J. Van Tonder
2005-01-01
An existing method of moments (MoM) code for the solution of complex scattering bodies has been accelerated by means of a multilevel fast multipole method (MLFMM). We demonstrate the usage of this technique both for metallic structures (wires and surfaces) and for dielectric bodies (volume and surface equivalence principle). Aspects like the effect of the type of integral equation, preconditioning schemes, or iterative solution techniques are discussed. But also limitations are addressed, whi...
Ergül, Özgür; Gürel, Levent
2013-03-01
Accurate electromagnetic modeling of complicated optical structures poses several challenges. Optical metamaterial and plasmonic structures are composed of multiple coexisting dielectric and/or conducting parts. Such composite structures may possess diverse values of conductivities and dielectric constants, including negative permittivity and permeability. Further challenges are the large sizes of the structures with respect to wavelength and the complexities of the geometries. In order to overcome these challenges and to achieve rigorous and efficient electromagnetic modeling of three-dimensional optical composite structures, we have developed a parallel implementation of the multilevel fast multipole algorithm (MLFMA). Precise formulation of composite structures is achieved with the so-called "electric and magnetic current combined-field integral equation." Surface integral equations are carefully discretized with piecewise linear basis functions, and the ensuing dense matrix equations are solved iteratively with parallel MLFMA. The hierarchical strategy is used for the efficient parallelization of MLFMA on distributed-memory architectures. In this paper, fast and accurate solutions of large-scale canonical and complicated real-life problems, such as optical metamaterials, discretized with tens of millions of unknowns are presented in order to demonstrate the capabilities of the proposed electromagnetic solver. PMID:23456127
Combining the multilevel fast multipole method with the uniform geometrical theory of diffraction
A. Tzoulis
2005-01-01
Full Text Available The presence of arbitrarily shaped and electrically large objects in the same environment leads to hybridization of the Method of Moments (MoM with the Uniform Geometrical Theory of Diffraction (UTD. The computation and memory complexity of the MoM solution is improved with the Multilevel Fast Multipole Method (MLFMM. By expanding the k-space integrals in spherical harmonics, further considerable amount of memory can be saved without compromising accuracy and numerical speed. However, until now MoM-UTD hybrid methods are restricted to conventional MoM formulations only with Electric Field Integral Equation (EFIE. In this contribution, a MLFMM-UTD hybridization for Combined Field Integral Equation (CFIE is proposed and applied within a hybrid Finite Element - Boundary Integral (FEBI technique. The MLFMM-UTD hybridization is performed at the translation procedure on the various levels of the MLFMM, using a far-field approximation of the corresponding translation operator. The formulation of this new hybrid technique is presented, as well as numerical results.
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. PMID:19173406
Petascale molecular dynamics simulation using the fast multipole method on K computer
Ohno, Yousuke
2014-10-01
In this paper, we report all-atom simulations of molecular crowding - a result from the full node simulation on the "K computer", which is a 10-PFLOPS supercomputer in Japan. The capability of this machine enables us to perform simulation of crowded cellular environments, which are more realistic compared to conventional MD simulations where proteins are simulated in isolation. Living cells are "crowded" because macromolecules comprise ∼30% of their molecular weight. Recently, the effects of crowded cellular environments on protein stability have been revealed through in-cell NMR spectroscopy. To measure the performance of the "K computer", we performed all-atom classical molecular dynamics simulations of two systems: target proteins in a solvent, and target proteins in an environment of molecular crowders that mimic the conditions of a living cell. Using the full system, we achieved 4.4 PFLOPS during a 520 million-atom simulation with cutoff of 28 Å. Furthermore, we discuss the performance and scaling of fast multipole methods for molecular dynamics simulations on the "K computer", as well as comparisons with Ewald summation methods. © 2014 Elsevier B.V. All rights reserved.
Zhang, He
2013-01-01
The space charge effect is one of the most important collective effects in beam dynamic studies. In many cases, numerical simulations are inevitable in order to get a clear understanding of this effect. The particle-particle interaction algorithms and the article-in-cell algorithms are widely used in space charge effect simulations. But they both have difficulties in dealing with highly correlated beams with abnormal distributions or complicated geometries. We developed a new algorithm to calculate the three dimensional self-field between charged particles by combining the differential algebra (DA) techniques with the fast multi-pole method (FMM). The FMM hierarchically decomposes the whole charged domain into many small regions. For each region it uses multipole expansions to represent the potential/field contributions from the particles far away from the region and then converts the multipole expansions into a local expansion inside the region. The potential/field due to the far away particles is calculated from the expansions and the potential/field due to the nearby particles is calculated from the Coulomb force law. The DA techniques are used in the calculation, translation and converting of the expansions. The new algorithm scales linearly with the total number of particles and it is suitable for any arbitrary charge distribution. Using the DA techniques, we can calculate both the potential/field and its high order derivatives, which will be useful for the purpose of including the space charge effect into transfer maps in the future. We first present the single level FMM, which decomposes the whole domain into boxes of the same size. It works best for charge distributions that are not overly non-uniform. Then we present the multilevel fast multipole algorithm (MLFMA), which decomposes the whole domain into different sized boxes according to the charge density. Finer boxes are generated where the higher charge density exists; thus the algorithm works for any
Inexact Krylov iterations and relaxation strategies with fast-multipole boundary element method
Layton, Simon K.; Barba, Lorena A.
2015-01-01
Boundary element methods produce dense linear systems that can be accelerated via multipole expansions. Solved with Krylov methods, this implies computing the matrix-vector products within each iteration with some error, at an accuracy controlled by the order of the expansion, $p$. We take advantage of a unique property of Krylov iterations that allow lower accuracy of the matrix-vector products as convergence proceeds, and propose a relaxation strategy based on progressively decreasing $p$. ...
Fajardo, Kristel C Meza; Chaillat, Stéphanie; Lenti, Luca
2016-01-01
In this work, we study seismic wave amplification in alluvial basins having 3D standard geometries through the Fast Multipole Boundary Element Method in the frequency domain. We investigate how much 3D amplification differs from the 1D (horizontal layering) case. Considering incident fields of plane harmonic waves, we examine the relationships between the amplification level and the most relevant physical parameters of the problem (impedance contrast, 3D aspect ratio, vertical and oblique incidence of plane waves). The FMBEM results show that the most important parameters for wave amplification are the impedance contrast and the so-called equivalent shape ratio. Using these two parameters, we derive simple rules to compute the fundamental frequency for various 3D basin shapes and the corresponding 3D/1D amplification factor for 5% damping. Effects on amplification due to 3D basin asymmetry are also studied and incorporated in the derived rules.
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.
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
Inexact Krylov iterations and relaxation strategies with fast-multipole boundary element method
Layton, Simon K
2015-01-01
Boundary element methods produce dense linear systems that can be accelerated via multipole expansions. Solved with Krylov methods, this implies computing the matrix-vector products within each iteration with some error, at an accuracy controlled by the order of the expansion, $p$. We take advantage of a unique property of Krylov iterations that allow lower accuracy of the matrix-vector products as convergence proceeds, and propose a relaxation strategy based on progressively decreasing $p$. Via extensive numerical tests, we show that the relaxed Krylov iterations converge with speed-ups of between 2x and 4x for Laplace problems and between 3.5x and 4.5x for Stokes problems. We include an application to Stokes flow around red blood cells, computing with up to 64 cells and problem size up to 131k boundary elements and nearly 400k unknowns. The study was done with an in-house multi-threaded C++ code, on a quad-core CPU.
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.
Quantum fast-roll initial conditions for the inflaton which are different from the classical fast-roll conditions and from the quantum slow-roll conditions can lead to inflation that lasts long enough. These quantum fast-roll initial conditions for the inflaton allow for kinetic energies of the same order of the potential energies and nonperturbative inflaton modes with nonzero wave numbers. Their evolution starts with a transitory epoch where the redshift due to the expansion succeeds to assemble the quantum excited modes of the inflaton in a homogeneous (zero mode) condensate, and the large value of the Hubble parameter succeeds to overdamp the fast roll of the redshifted inflaton modes. After this transitory stage the effective classical slow-roll epoch is reached. Most of the e-folds are produced during the slow-roll epoch, and we recover the classical slow-roll results for the scalar and tensor metric perturbations plus corrections. These corrections are important if scales which are horizon size today exited the horizon by the end of the transitory stage and, as a consequence, the lower cosmic microwave background (CMB) multipoles get suppressed or enhanced. Both for scalar and tensor metric perturbations, fast roll leads to a suppression of the amplitude of the perturbations (and of the low CMB multipoles), while the quantum precondensate epoch gives an enhancement of the amplitude of the perturbations (and of the low CMB multipoles). These two types of corrections can compete and combine in a scale dependent manner. They turn out to be smaller in new inflation than in chaotic inflation. These corrections arise as natural consequences of the quantum nonperturbative inflaton dynamics, and can allow a further improvement of the fitting of inflation plus the ΛCMB model to the observed CMB spectra. In addition, the corrections to the tensor metric perturbations will provide an independent test of this model. Thus, the effects of quantum inflaton fast
To simulate numerically a non-destructive by eddy current testing (NDT-CF), the sensor response can be modeled through a semi-analytical approach by volume integral equations. Faster than the finite element method, this approach is however restricted to the study of plane or cylindrical parts (without taking into account the edge effects) because of the complexity of the expression of the dyadic Green function for more general configurations. However, there is an industrial demand to extend the capabilities of the CF model in complex configurations (deformed plates, edges effects...). We were thus brought to formulate the electromagnetic problem differently, by setting ourselves the goal of maintaining a semi-analytical approach. The surface integral equation (SIE) expresses the volume problem by an equivalent transmission one at the interfaces (2D) between homogeneous sub-domains. This problem is approached by a linear system (by the method of moments), whose number of unknowns is reduced due to the nature of the surfacic mesh. Therefore, this system can be solved by a direct solver for small configurations. That enabled us to treat several various positions of the sensor for only one inversion of the impedance matrix. The numerical results obtained using this formulation involve plates with consideration of edge effects such as edge and corner. They are consistent with results obtained by the finite element method. For larger configurations, we conducted a preliminary study for the adaptation of an acceleration method of the matrix vector product involved in an iterative solver (fast multipole method or FMM) to define the conditions under which the FMM calculation works correctly (accuracy, convergence...) in the NDT's domain. A special attention has been given to the choice of basis functions (which have to satisfy an Hdiv conforming property) and on the evaluation of near interactions (which are weakly singular). (author)
Motion Tracking with Fast Adaptive Background Subtraction
Xiao De-gui; Yu Sheng-sheng; Zhou Jing-li
2003-01-01
To extract and track moving objects is usually one of the most important tasks of intelligent video surveillance systems. This paper presents a fast and adaptive background subtraction algorithm and the motion tracking process using this algorithm. The algorithm uses only luminance components of sampled image sequence pixels and models every pixel in a statistical model. The algorithm is characterized by its ability of real time detecting sudden lighting changes, and extracting and tracking motion objects faster. It is shown that our algorithm can be realized with lower time and space complexity and adjustable object detection error rate with comparison to other background subtraction algorithms. Making use of the algorithm, an indoor monitoring system is also worked out and the motion tracking process is presented in this paper. Experimental results testify the algorithm's good performances when used in an indoor monitoring system.
Jiang, Xikai; Zhao, Xujun; Qin, Jian; Karpeev, Dmitry; Hernandez-Ortiz, Juan; de Pablo, Juan; Heinonen, Olle
2016-01-01
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(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 Method 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 contest of two examples. In the first, we solve a boundary value problem for a ferr...
Adaptive grouping for the higher-order multilevel fast multipole method
Borries, Oscar Peter; Jørgensen, Erik; Meincke, Peter; Hansen, Per Christian
2014-01-01
functions. Results from both a uniformly and nonuniformly meshed scatterer are presented, showing how the technique is worthwhile even for regular meshes, and demonstrating that there is no loss of accuracy in spite of the large reduction in memory requirements and the relatively low computational cost....
Lee, Dongryeol; Gray, Alexander G
2011-01-01
A three-body potential function can account for interactions among triples of particles which are uncaptured by pairwise interaction functions such as Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order $n$ can account for interactions among $n$-tuples of particles uncaptured by interaction functions of lower orders. To date, the computation of multibody potential functions for a large number of particles has not been possible due to its $O(N^n)$ scaling cost. In this paper we describe a fast tree-code for efficiently approximating multibody potentials. For the first time, we show how to extend the series-expansion-based approach of Fast Multipole Method-like algorithms to handle interactions among more than two particles. Our approach guarantees a user-specified bound on the absolute or relative error in the computed potential. We provide speedup results on a three-body dispersion potential, the Axilrod-Teller potential.
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.
Fast-start adaptation funding: keeping promises from Copenhagen
Ciplet, David; Roberts, J. Timmons [Brown University (United States); Chandani, Achala; Huq, Saleemul
2010-11-15
The most concrete commitment to come out of the international climate negotiations in Copenhagen was US$30 billion dollars in 'fast-start climate finance' to developing countries, with balanced support for both mitigation and adaptation. Fast-start adaptation finance, in particular, is crusial for poor countries facing rapid climate change. But so far, pledges for adaptation from developed countries have been inadequate and unclear. This briefing outlines ways for the Cancun negotiations to address five crucial issues for adaptation finance: (1) the amount and type of funding being offered, (2) the definition of adaptation, (3) global oversight and accounting, (4) a clear baseline and transparent spending and (5) the channel for delivering funds.
Sox17 regulates liver lipid metabolism and adaptation to fasting.
Rommelaere, Samuel; Millet, Virginie; Vu Manh, Thien-Phong; Gensollen, Thomas; Andreoletti, Pierre; Cherkaoui-Malki, Mustapha; Bourges, Christophe; Escalière, Bertrand; Du, Xin; Xia, Yu; Imbert, Jean; Beutler, Bruce; Kanai, Yoshiakira; Malissen, Bernard; Malissen, Marie; Tailleux, Anne; Staels, Bart; Galland, Franck; Naquet, Philippe
2014-01-01
Liver is a major regulator of lipid metabolism and adaptation to fasting, a process involving PPARalpha activation. We recently showed that the Vnn1 gene is a PPARalpha target gene in liver and that release of the Vanin-1 pantetheinase in serum is a biomarker of PPARalpha activation. Here we set up a screen to identify new regulators of adaptation to fasting using the serum Vanin-1 as a marker of PPARalpha activation. Mutagenized mice were screened for low serum Vanin-1 expression. Functional interactions with PPARalpha were investigated by combining transcriptomic, biochemical and metabolic approaches. We characterized a new mutant mouse in which hepatic and serum expression of Vanin-1 is depressed. This mouse carries a mutation in the HMG domain of the Sox17 transcription factor. Mutant mice display a metabolic phenotype featuring lipid abnormalities and inefficient adaptation to fasting. Upon fasting, a fraction of the PPARα-driven transcriptional program is no longer induced and associated with impaired fatty acid oxidation. The transcriptional phenotype is partially observed in heterozygous Sox17+/- mice. In mutant mice, the fasting phenotype but not all transcriptomic signature is rescued by the administration of the PPARalpha agonist fenofibrate. These results identify a novel role for Sox17 in adult liver as a modulator of the metabolic adaptation to fasting. PMID:25141153
Fast Histograms using Adaptive CUDA Streams
Koppaka, Sisir; Narasimhan, Srihari; Narayanan, Babu
2010-01-01
Histograms are widely used in medical imaging, network intrusion detection, packet analysis and other stream-based high throughput applications. However, while porting such software stacks to the GPU, the computation of the histogram is a typical bottleneck primarily due to the large impact on kernel speed by atomic operations. In this work, we propose a stream-based model implemented in CUDA, using a new adaptive kernel that can be optimized based on latency hidden CPU compute. We also explore the tradeoffs of using the new kernel vis-\\`a-vis the stock NVIDIA SDK kernel, and discuss an intelligent kernel switching method for the stream based on a degeneracy criterion that is adaptively computed from the input stream.
Information criterion based fast PCA adaptive algorithm
Li Jiawen; Li Congxin
2007-01-01
The novel information criterion (NIC) algorithm can find the principal subspace quickly, but it is not an actual principal component analysis (PCA) algorithm and hence it cannot find the orthonormal eigen-space which corresponds to the principal component of input vector.This defect limits its application in practice.By weighting the neural network's output of NIC, a modified novel information criterion (MNIC) algorithm is presented.MNIC extractes the principal components and corresponding eigenvectors in a parallel online learning program, and overcomes the NIC's defect.It is proved to have a single global optimum and nonquadratic convergence rate, which is superior to the conventional PCA online algorithms such as Oja and LMSER.The relationship among Oja, LMSER and MNIC is exhibited.Simulations show that MNIC could converge to the optimum fast.The validity of MNIC is proved.
Sox17 Regulates Liver Lipid Metabolism and Adaptation to Fasting
Rommelaere, Samuel; Millet, Virginie; Vu Manh, Thien-Phong; Gensollen, Thomas; Andreoletti, Pierre; Cherkaoui-Malki, Mustapha; Bourges, Christophe; Escalière, Bertrand; Du, Xin; Xia, Yu; Imbert, Jean; Beutler, Bruce; Kanai, Yoshiakira; Malissen, Bernard; Malissen, Marie
2014-01-01
Liver is a major regulator of lipid metabolism and adaptation to fasting, a process involving PPARalpha activation. We recently showed that the Vnn1 gene is a PPARalpha target gene in liver and that release of the Vanin-1 pantetheinase in serum is a biomarker of PPARalpha activation. Here we set up a screen to identify new regulators of adaptation to fasting using the serum Vanin-1 as a marker of PPARalpha activation. Mutagenized mice were screened for low serum Vanin-1 expression. Functional...
An Optimal Control Modification to Model-Reference Adaptive Control for Fast Adaptation
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.
Multipole expansions in magnetostatics
Multipole expansions of the magnetic field of a spatially restricted system of stationary currents and those for the potential function of such currents in an external magnetic field are studied using angular momentum algebraic techniques. It is found that the expansion for the magnetic induction vector is made identical to that for the electric field strength of a neutral system of charges by substituting electric for magnetic multipole moments. The toroidal part of the multipole expansion for the magnetic field vector potential can, due to its potential nature, be omitted in the static case. Also, the potential function of a system of currents in an external magnetic field and the potential energy of a neutral system of charges in an external electric field have identical multipole expansions. For axisymmetric systems, the expressions for the field and those for the potential energy of electric and magnetic multipoles are reduced to simple forms, with symmetry axis orientation dependence separated out. (methodological notes)
Multipole expansions in magnetostatics
Agre, Mark Ya [National University of ' Kyiv-Mohyla Academy' , Kyiv (Ukraine)
2011-02-28
Multipole expansions of the magnetic field of a spatially restricted system of stationary currents and those for the potential function of such currents in an external magnetic field are studied using angular momentum algebraic techniques. It is found that the expansion for the magnetic induction vector is made identical to that for the electric field strength of a neutral system of charges by substituting electric for magnetic multipole moments. The toroidal part of the multipole expansion for the magnetic field vector potential can, due to its potential nature, be omitted in the static case. Also, the potential function of a system of currents in an external magnetic field and the potential energy of a neutral system of charges in an external electric field have identical multipole expansions. For axisymmetric systems, the expressions for the field and those for the potential energy of electric and magnetic multipoles are reduced to simple forms, with symmetry axis orientation dependence separated out. (methodological notes)
左风丽; 刘旭; 张宝印; 胡晓燕
2013-01-01
A parallel software module of FMM ( fast multipole method) for three-dimensional Laplace kernel functions, JASMIN-3DLapFMM, is designed and implemented. The module is based on two phases parallel strategy of both processes and threads. A parallel software module is successfully used to solve the far field potential of electrostatic fields. With a fixed problem size of single processor,almost linear weak parallel scalability is obtained for a grand scale problem with 10 particles on more than ten thousand processors. With a fixed size of total problem and 1 024 processors, about three times speedup is obtained on four threads.%在JASMIN上,基于进程/线程两级并行实现策略,研制三维Laplace核函数FMM (fast multipole method)的解法器模块“JASMIN-3DLapFMM”.该解法器已成功应用于三维静电场远场势的并行计算.固定单机问题规模,在上万个处理器核上运行百亿粒子的大规模问题,获得进程级几乎线性的并行可扩展性.固定总的问题规模和1 024个进程,4个线程时,获得大约3倍的加速.
Lim, T.
2011-04-28
To simulate numerically a non-destructive by eddy current testing (NDT-CF), the sensor response can be modeled through a semi-analytical approach by volume integral equations. Faster than the finite element method, this approach is however restricted to the study of plane or cylindrical parts (without taking into account the edge effects) because of the complexity of the expression of the dyadic Green function for more general configurations. However, there is an industrial demand to extend the capabilities of the CF model in complex configurations (deformed plates, edges effects...). We were thus brought to formulate the electromagnetic problem differently, by setting ourselves the goal of maintaining a semi-analytical approach. The surface integral equation (SIE) expresses the volume problem by an equivalent transmission one at the interfaces (2D) between homogeneous sub-domains. This problem is approached by a linear system (by the method of moments), whose number of unknowns is reduced due to the nature of the surfacic mesh. Therefore, this system can be solved by a direct solver for small configurations. That enabled us to treat several various positions of the sensor for only one inversion of the impedance matrix. The numerical results obtained using this formulation involve plates with consideration of edge effects such as edge and corner. They are consistent with results obtained by the finite element method. For larger configurations, we conducted a preliminary study for the adaptation of an acceleration method of the matrix vector product involved in an iterative solver (fast multipole method or FMM) to define the conditions under which the FMM calculation works correctly (accuracy, convergence...) in the NDT's domain. A special attention has been given to the choice of basis functions (which have to satisfy an Hdiv conforming property) and on the evaluation of near interactions (which are weakly singular). (author) [French] Pour simuler
Brain source localization based on fast fully adaptive approach.
Ravan, Maryam; Reilly, James P
2012-01-01
In the electroencephalogram (EEG) or magnetoencephalogram (MEG) context, brain source localization (beamforming) methods often fail when the number of observations is small. This is particularly true when measuring evoked potentials, especially when the number of electrodes is large. Due to the nonstationarity of the EEG/MEG, an adaptive capability is desirable. Previous work has addressed these issues by reducing the adaptive degrees of freedom (DoFs). This paper develops and tests a new multistage adaptive processing for brain source localization that has been previously used for radar statistical signal processing application with uniform linear antenna array. This processing, referred to as the fast fully adaptive (FFA) approach, could significantly reduce the required sample support and computational complexity, while still processing all available DoFs. The performance improvement offered by the FFA approach in comparison to the fully adaptive minimum variance beamforming (MVB) with limited data is demonstrated by bootstrapping simulated data to evaluate the variability of the source location. PMID:23367106
A Fast Adaptive Receive Antenna Selection Method in MIMO System
Chaowei Wang
2013-01-01
Full Text Available Antenna selection has been regarded as an effective method to acquire the diversity benefits of multiple antennas while potentially reduce hardware costs. This paper focuses on receive antenna selection. According to the proportion between the numbers of total receive antennas and selected antennas and the influence of each antenna on system capacity, we propose a fast adaptive antenna selection algorithm for wireless multiple-input multiple-output (MIMO systems. Mathematical analysis and numerical results show that our algorithm significantly reduces the computational complexity and memory requirement and achieves considerable system capacity gain compared with the optimal selection technique in the same time.
Tang, Guanglin; Yang, Ping; Sun, Bingqiang; Panetta, R. Lee; Kattawar, George W.
2016-06-01
The finite-difference time-domain (FDTD) and ray-by-ray (RBR) methods are techniques used to calculate the optical properties of nonspherical particles for small-to-moderate and large size parameters, respectively. The former is a rigorous method, and the latter is an approximate geometric-physical optics-hybrid method that takes advantage of both high efficiency of the geometric optics approach and high accuracy of the physical optics approach. In these two methods, the far field is calculated by mapping the near field to the far field with consideration of the phase interference. The mapping computation is more time-consuming than the near-field simulation when multiple scattering directions are involved, particularly in the case of the RBR implementation. To overcome the difficulty, in this study the fast multi-pole method is applied to both FDTD and RBR towards accelerating the far-field calculation, without degrading the accuracy of the simulation results.
Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System
Aranki, Nazeeh I.; Keymeulen, Didier; Kimesh, Matthew A.
2012-01-01
Modern hyperspectral imaging systems are able to acquire far more data than can be downlinked from a spacecraft. Onboard data compression helps to alleviate this problem, but requires a system capable of power efficiency and high throughput. Software solutions have limited throughput performance and are power-hungry. Dedicated hardware solutions can provide both high throughput and power efficiency, while taking the load off of the main processor. Thus a hardware compression system was developed. The implementation uses a field-programmable gate array (FPGA). The implementation is based on the fast lossless (FL) compression algorithm reported in Fast Lossless Compression of Multispectral-Image Data (NPO-42517), NASA Tech Briefs, Vol. 30, No. 8 (August 2006), page 26, which achieves excellent compression performance and has low complexity. This algorithm performs predictive compression using an adaptive filtering method, and uses adaptive Golomb coding. The implementation also packetizes the coded data. The FL algorithm is well suited for implementation in hardware. In the FPGA implementation, one sample is compressed every clock cycle, which makes for a fast and practical realtime solution for space applications. Benefits of this implementation are: 1) The underlying algorithm achieves a combination of low complexity and compression effectiveness that exceeds that of techniques currently in use. 2) The algorithm requires no training data or other specific information about the nature of the spectral bands for a fixed instrument dynamic range. 3) Hardware acceleration provides a throughput improvement of 10 to 100 times vs. the software implementation. A prototype of the compressor is available in software, but it runs at a speed that does not meet spacecraft requirements. The hardware implementation targets the Xilinx Virtex IV FPGAs, and makes the use of this compressor practical for Earth satellites as well as beyond-Earth missions with hyperspectral instruments.
Holographic Adaptive Laser Optics System (HALOS): Fast, Autonomous Aberration Correction
Andersen, G.; MacDonald, K.; Gelsinger-Austin, P.
2013-09-01
We present an adaptive optics system which uses a multiplexed hologram to deconvolve the phase aberrations in an input beam. This wavefront characterization is extremely fast as it is based on simple measurements of the intensity of focal spots and does not require any computations. Furthermore, the system does not require a computer in the loop and is thus much cheaper, less complex and more robust as well. A fully functional, closed-loop prototype incorporating a 32-element MEMS mirror has been constructed. The unit has a footprint no larger than a laptop but runs at a bandwidth of 100kHz over an order of magnitude faster than comparable, conventional systems occupying a significantly larger volume. Additionally, since the sensing is based on parallel, all-optical processing, the speed is independent of actuator number running at the same bandwidth for one actuator as for a million. We are developing the HALOS technology with a view towards next-generation surveillance systems for extreme adaptive optics applications. These include imaging, lidar and free-space optical communications for unmanned aerial vehicles and SSA. The small volume is ideal for UAVs, while the high speed and high resolution will be of great benefit to the ground-based observation of space-based objects.
Fast, multiphase volume adaptation to hyperosmotic shock by Escherichia coli.
Teuta Pilizota
Full Text Available All living cells employ an array of different mechanisms to help them survive changes in extra cellular osmotic pressure. The difference in the concentration of chemicals in a bacterium's cytoplasm and the external environment generates an osmotic pressure that inflates the cell. It is thought that the bacterium Escherichia coli use a number of interconnected systems to adapt to changes in external pressure, allowing them to maintain turgor and live in surroundings that range more than two-hundred-fold in external osmolality. Here, we use fluorescence imaging to make the first measurements of cell volume changes over time during hyperosmotic shock and subsequent adaptation on a single cell level in vivo with a time resolution on the order of seconds. We directly observe two previously unseen phases of the cytoplasmic water efflux upon hyperosmotic shock. Furthermore, we monitor cell volume changes during the post-shock recovery and observe a two-phase response that depends on the shock magnitude. The initial phase of recovery is fast, on the order of 15-20 min and shows little cell-to-cell variation. For large sucrose shocks, a secondary phase that lasts several hours adds to the recovery. We find that cells are able to recover fully from shocks as high as 1 Osmol/kg using existing systems, but that for larger shocks, protein synthesis is required for full recovery.
Choi, Cheol Ho
2004-02-22
A new way of generating the multipole moments of Cartesian Gaussian functions in spherical polar coordinates has been established, bypassing the intermediary of Cartesian moment tensors. A new set of recurrence relations have also been derived for the resulting analytic integral values. The new method furnishes a conceptually simple and numerically efficient evaluation procedure for the multipole moments. The advantages over existing methods are documented. The results are relevant for the linear scaling quantum theories based on the fast multipole method. PMID:15268515
Multipoles are being employed as devices to study fusion issues and plasma phenomena at high values of beta (plasma pressure/magnetic pressure) in a controlled manner. Due to their large volume, low magnetic field (low synchrotron radiation) region, they are also under consideration as potential steady state advanced fuel (low neutron yield) reactors. Present experiments are investigating neoclassical (bootstrap and Pfirsch-Schlueter) currents and plasma stability at extremely high beta
Fast Adaptive Blind MMSE Equalizer for Multichannel FIR Systems
Abed-Meraim Karim
2006-01-01
Full Text Available We propose a new blind minimum mean square error (MMSE equalization algorithm of noisy multichannel finite impulse response (FIR systems, that relies only on second-order statistics. The proposed algorithm offers two important advantages: a low computational complexity and a relative robustness against channel order overestimation errors. Exploiting the fact that the columns of the equalizer matrix filter belong both to the signal subspace and to the kernel of truncated data covariance matrix, the proposed algorithm achieves blindly a direct estimation of the zero-delay MMSE equalizer parameters. We develop a two-step procedure to further improve the performance gain and control the equalization delay. An efficient fast adaptive implementation of our equalizer, based on the projection approximation and the shift invariance property of temporal data covariance matrix, is proposed for reducing the computational complexity from to , where is the number of emitted signals, the data vector length, and the dimension of the signal subspace. We then derive a statistical performance analysis to compare the equalization performance with that of the optimal MMSE equalizer. Finally, simulation results are provided to illustrate the effectiveness of the proposed blind equalization algorithm.
Fast Adaptive Blind MMSE Equalizer for Multichannel FIR Systems
Kacha, Ibrahim; Abed-Meraim, Karim; Belouchrani, Adel
2006-12-01
We propose a new blind minimum mean square error (MMSE) equalization algorithm of noisy multichannel finite impulse response (FIR) systems, that relies only on second-order statistics. The proposed algorithm offers two important advantages: a low computational complexity and a relative robustness against channel order overestimation errors. Exploiting the fact that the columns of the equalizer matrix filter belong both to the signal subspace and to the kernel of truncated data covariance matrix, the proposed algorithm achieves blindly a direct estimation of the zero-delay MMSE equalizer parameters. We develop a two-step procedure to further improve the performance gain and control the equalization delay. An efficient fast adaptive implementation of our equalizer, based on the projection approximation and the shift invariance property of temporal data covariance matrix, is proposed for reducing the computational complexity from[InlineEquation not available: see fulltext.] to[InlineEquation not available: see fulltext.], where[InlineEquation not available: see fulltext.] is the number of emitted signals,[InlineEquation not available: see fulltext.] the data vector length, and[InlineEquation not available: see fulltext.] the dimension of the signal subspace. We then derive a statistical performance analysis to compare the equalization performance with that of the optimal MMSE equalizer. Finally, simulation results are provided to illustrate the effectiveness of the proposed blind equalization algorithm.
Multipole moments for embedding potentials
Nørby, Morten Steen; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob;
2016-01-01
and RNA/DNA, and of molecules in solution. Our aim is to develop a computational methodology for distributed multipole moments and their associated multipole polarizabilities which is accurate, computationally efficient, and with smooth convergence with respect to multipole order. As the first step...... toward this goal, we herein investigate different ways of obtaining distributed atom-centered multipole moments that are used in the construction of the electrostatic part of the embedding potential. Our objective is methods that not only are accurate and computationally efficient, but which can be...
El-Shenawee, M; Rappaport, C; Silevitch, M
2001-12-01
We present a statistical study of the electric field scattered from a three-dimensional penetrable object buried under a two-dimensional random rough surface. Monte Carlo simulations using the steepest-descent fast multipole method (SDFMM) are conducted to calculate the average and the standard deviation of the near-zone scattered fields. The SDFMM, originally developed at the University of Illinois at Urbana-Champaign, has been modified to calculate the unknown surface currents both on the rough ground and on the buried object that are due to excitation by a tapered Gaussian beam. The rough ground medium used is an experimentally measured typical dry Bosnian soil with 3.8% moisture, while the buried object represents a plastic land mine modeled as an oblate spheroid with dimensions and burial depth smaller than the free-space wavelength. Both vertical and horizontal polarizations for the incident waves are studied. The numerical results show that the TNT mine signature is almost 5% of the total field scattered from the ground. Moreover, relatively recognizable object signatures are observed even when the object is buried under the tail of the incident beam. Interestingly, even for the small surface roughness parameters considered, the standard deviation of the object signature is almost 30% of the signal itself, indicating significant clutter distortion that is due to the roughness of the ground. PMID:11760205
The origin of soft multipole states in halo nuclei is discussed by using a double square well potential. It is found that the huge enhancement of the transition strength near particle threshold energy is caused by the coherent contribution of particle and hole wave functions from an extremely large radial distance R=10∼45 fm. The soft excitation is thus characterized as an independent particle-hole excitation rather than a coherent superposition of particle-hole states. The characteristic feature of the soft mode is demonstrated to manifest itself in the response to the momentum dependent transition operator. (author) 12 refs., 4 figs., 1 tab
Multipole Expansion in Generalized Electrodynamics
Bonin, C A; Ortega, P H
2016-01-01
In this article we study some classical aspects of Podolsky Electrodynamics in the static regime. We develop the multipole expansion for the theory in both the electrostatic and the magnetostatic cases. We also address the problem of consistently truncating the infinite series associated with the several kinds of multipoles, yielding approximations for the static Podolskian electromagnetic field to any degree of precision required. Moreover, we apply the general theory of multipole expansion to some specific physical problems. In those problems we identify the first terms of the series with the monopole, dipole and quadrupole terms in the generalized theory. We also propose a situation in which Podolsky theory can be experimentally tested.
FFA-CONTEXT AWARE ENERGY EFFICIENT ROUTING USING FAST REACTIVE AND ADAPTIVE ALGORITHM
P. Kavitha Rani; E. Kannan
2014-01-01
A vital issue of routing is how to efficiently strengthen energy consumption of the whole network and to avoid the energy-hole which leads to node failure or node death; this scenario makes the network to work improperly and leads to network death, Here we proves our hypothesis with linearity between routing and linear principles. Our proposed work effectively utilizes the adaption of Optimized particle swarm algorithm (Fast Reactive and fast adaptive algorithm) in order to solve the routing ...
Multipole structure of compact objects
Quevedo, Hernando
2016-01-01
We analyze the applications of general relativity in relativistic astrophysics in order to solve the problem of describing the geometric and physical properties of the interior and exterior gravitational and electromagnetic fields of compact objects. We focus on the interpretation of exact solutions of Einstein's equations in terms of their multipole moments structure. In view of the lack of physical interior solutions, we propose an alternative approach in which higher multipoles should be taken into account.
Multipole moments of isolated horizons
To every axi-symmetric isolated horizon we associate two sets of numbers, Mn and Jn with n = 0, 1, 2, ..., representing its mass and angular momentum multipoles. They provide a diffeomorphism invariant characterization of the horizon geometry. Physically, they can be thought of as the 'source multipoles' of black holes in equilibrium. These structures have a variety of potential applications ranging from equations of motion of black holes and numerical relativity to quantum gravity
Measured multipole moments of continuum electron transfer angular distributions
The velocity space distribution of electrons emitted near the forward direction from collisions involving fast, highly stripped oxygen ions with gaseous and solid targets is presented and described in terms of multipole moments of the ejected charge distribution, which permits direct comparison with recent theory. The measurements are produced by employing position-sensitive electron detection to combine emission angle definition with conventional electrostatic spectrometry. Agreement obtained between theory and distributions observed for binary continuum electron loss processes coupled with a similar multipole content observed with solid targets suggests a model of convoy electron production dominated by electron loss from the projectile within the bulk of the target. Further, the connection between multipoles of the projectile electron emission distribution in single collisions and the state of excitation of that projectile excited states may provide the basis for a probe of the state of ions traversing bulk solid matter. 14 refs., 3 figs., 1 tab
Fast calibration of high-order adaptive optics systems
Kasper, Markus; Fedrigo, Enrico; Looze, Douglas P.; Bonnet, Henri; Ivanescu, Liviu; Oberti, Sylvain
2004-06-01
We present a new method of calibrating adaptive optics systems that greatly reduces the required calibration time or, equivalently, improves the signal-to-noise ratio. The method uses an optimized actuation scheme with Hadamard patterns and does not scale with the number of actuators for a given noise level in the wave-front sensor channels. It is therefore highly desirable for high-order systems and/or adaptive secondary systems on a telescope without a Gregorian focal plane. In the latter case, the measurement noise is increased by the effects of the turbulent atmosphere when one is calibrating on a natural guide star.
Centralized and Distributed Solutions for Fast Muting Adaptation in LTE-Advanced HetNets
Soret, Beatriz; Pedersen, Klaus I.
2015-01-01
though the eICIC configuration (RE and ABS) ideally should be instantaneously adapted to follow the fluctuations of the traffic and the channel conditions over time, previous studies have focused on slow intercell coordination. In this paper, we investigate fast dynamic eICIC solutions for centralized...... and distributed Radio Resource Management (RRM) architectures. The centralized RRM architecture assumes macro and Remote Radio Heads (RRHs) inter-connected via high-speed fronthaul connections, while the distributed architecture is based on traditional macro and pico cells deployments with X2 backhaul...... interface. Two different fast muting adaptation algorithms are derived, and it is shown how those can be appplied to both the centralized and the distributed architecture. Performance results with bursty traffic show that the fast dynamic adaptation provides significant gains, both in 5%-ile and 50%-ile...
Adaptation of fibers in fast-twitch muscles of rats to spaceflight and hindlimb suspension
Jiang, Bian; Ohira, Yoshi; Roy, Roland R.; Nguyen, Quyet; Il'ina-Kakueva, E. I.; Oganov, V.; Edgerton, V. R.
1992-01-01
The adaptation of single fibers in medial gastrocnemius (MG), a fast-twitch extensor, and in tibialis anterior (TA), a fast-twitch flexor, was studied after 14 days of spaceflight onboard Cosmos 2044 or hindlimb suspension. Quantitative myosin ATPase activities of single fibers were measured in flight and suspended rats. Each of the enzyme and size measurements were directly correlated within each fiber with respect to its qualitative myosin ATPase staining properties and its expression of fast, slow, or both myosin heavy chains (MHC). The percentage of slow- and fast-twitch fibers of the MG and TA were found to be unchanged. Mean fiber size of all fibers was unaffected after flight or suspension. The ATPase activity in the MG was higher in flight than in control or suspended rats. In comparison to Cosmos 1887 spaceflight, the adaptations in the muscle fibers of the MG were more moderate.
Radiation reaction for multipole moments
Kazinski, P O
2006-01-01
We propose a Poincare-invariant description for the effective dynamics of systems of charged particles by means of intrinsic multipole moments. To achieve this goal we study the effective dynamics of such systems within two frameworks -- the particle itself and hydrodynamical one. We give a relativistic-invariant definition for the intrinsic multipole moments both pointlike and extended relativistic objects. Within the hydrodynamical framework we suggest a covariant action functional for a perfect fluid with pressure. In the case of a relativistic charged dust we prove the equivalence of the particle approach to the hydrodynamical one to the problem of radiation reaction for multipoles. As the particular example of a general procedure we obtain the effective model for a neutral system of charged particles with dipole moment.
Radiation reaction of multipole moments
A Poincare-invariant description is proposed for the effective dynamics of a localized system of charged particles in classical electrodynamics in terms of the intrinsic multipole moments of the system. A relativistic-invariant definition for the intrinsic multipole moments of a system of charged particles is given. A new generally covariant action functional for a relativistic perfect fluid is proposed. In the case of relativistic charged dust, it is proven that the description of the problem of radiation reaction of multipole moments by the model of particles is equivalent to the description of this problem by a hydrodynamic model. An effective model is obtained for a pointlike neutral system of charged particles that possesses an intrinsic dipole moment, and the free dynamics of this system is described. The bound momentum of a point dipole is found
Radiation reaction of multipole moments
Kazinski, P. O.
2007-08-01
A Poincaré-invariant description is proposed for the effective dynamics of a localized system of charged particles in classical electrodynamics in terms of the intrinsic multipole moments of the system. A relativistic-invariant definition for the intrinsic multipole moments of a system of charged particles is given. A new generally covariant action functional for a relativistic perfect fluid is proposed. In the case of relativistic charged dust, it is proven that the description of the problem of radiation reaction of multipole moments by the model of particles is equivalent to the description of this problem by a hydrodynamic model. An effective model is obtained for a pointlike neutral system of charged particles that possesses an intrinsic dipole moment, and the free dynamics of this system is described. The bound momentum of a point dipole is found.
Identification of fast-changing signals by means of adaptive chaotic transformations
Berezowski, Marek; Lawnik, Marcin
2016-01-01
The adaptive approach of strongly non-linear fast-changing signals identification is discussed. The approach is devised by adaptive sampling based on chaotic mapping in yourself of a signal. Presented sampling way may be utilized online in the automatic control of chemical reactor (throughout identification of concentrations and temperature oscillations in real-time), in medicine (throughout identification of ECG and EEG signals in real-time), etc. In this paper, we presented it to identify t...
Improving GPU-accelerated Adaptive IDW Interpolation Algorithm Using Fast kNN Search
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 ...
Adaptive approach to global synchronization of directed networks with fast switching topologies
Global synchronization of directed networks with switching topologies is investigated. It is found that if there exists at least one directed spanning tree in the network with the fixed time-average topology and the time-average topology is achieved sufficiently fast, the network will reach global synchronization for appreciate coupling strength. Furthermore, this appreciate coupling strength may be obtained by local adaptive approach. A sufficient condition about the global synchronization is given. Numerical simulations verify the effectiveness of the adaptive strategy.
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 el...
Polarizable atomic multipole X-ray refinement: application to peptide crystals
Schnieders, Michael J.; Fenn, Timothy D.; Pande, Vijay S.; Brunger, Axel T.
2009-01-01
Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (F...
Static multipole deformations in nuclei
The physics of static multipole deformations in nuclei is reviewed. Nuclear static moments result from the delicate balance between the vibronic Jahn-Teller interaction (particle-vibration coupling) and the residual interaction (pairing force). Examples of various permanent nuclear deformations are discussed
Mathematical Programming Solution for the Frictional Contact Multipole BEM
YU Chunxiao; SHEN Guangxian; LIU Deyi
2005-01-01
This paper presents a new mathematical model for the highly nonlinear problem of frictional contact. A programming model, multipole boundary element method (BEM), was developed for 3-D elastic contact with friction to replace the Monte Carlo method. A numerical example shows that the optimization programming model for the point-to-surface contact with friction and the fast optimization generalized minimal residual algorithm (GMRES(m)) significantly improve the analysis of such problems relative to the conventional BEM.
Fast Block-match Motion Estimation Based on Multilevel Adaptive Diamond Search
Li, Shan; Yi, Qing-Ming; Shi, Min
In this paper, a novel fast block-match algorithm called MADS based on multilevel adaptive diamond search is proposed. The algorithm adaptively estimates the frame-level motion complexity with the reference frame texture information and the macro-block residual value at first, and then estimates the block-level motion complexity according to the spatial-temporal correlation of the vector field. The threshold is applied to stop the stationary block from searching. The initial search point and different diamond search modes are adaptively selected based on motion type for non-stationary block. Experimental results show that MADS algorithm has better performance than other popular fast algorithms for a wide range of video sequences.
Fast non-local means with size-adaptive search window
Hancheng Yu
2016-03-01
Full Text Available In this study, the authors present a fast non-local means (NLM image denoising algorithm with size-adaptive search window. On the basis of the edge gradient and direction of the noisy image, the proposed fast scheme divides all the pixels into significant edge, moderate edge or non-edge region, and the size of the search window for most pixels which belong to non-edge region can be reduced. The proposed fast scheme also adopts different strategies to pre-select similar patches in the search window for efficient NLM denoising. Experimental results show that compared with the standard NLM method, the proposed fast scheme achieves a substantial reduction in computational cost and improvement in the denoising performance, both in terms of visual quality and numerical results.
Polarizable atomic multipole X-ray refinement: application to peptide crystals
A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered Rfree by 20–40% relative to the original spherically symmetric scattering model
Polarizable atomic multipole X-ray refinement: application to peptide crystals
Schnieders, Michael J. [Department of Chemistry, Stanford, CA 94305 (United States); Fenn, Timothy D. [Department of Molecular and Cellular Physiology, Stanford, CA 94305 (United States); Howard Hughes Medical Institute (United States); Pande, Vijay S., E-mail: pande@stanford.edu [Department of Chemistry, Stanford, CA 94305 (United States); Brunger, Axel T., E-mail: pande@stanford.edu [Department of Molecular and Cellular Physiology, Stanford, CA 94305 (United States); Howard Hughes Medical Institute (United States); Department of Chemistry, Stanford, CA 94305 (United States)
2009-09-01
A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered R{sub free} by 20–40% relative to the original spherically symmetric scattering model.
Multipole correction in large synchrotrons
A new method of correcting dynamic nonlinearities due to the multipole content of a synchrotron such as the Superconducting Super Collider is discussed. The method uses lumped multipole elements placed at the center (C) of the accelerator half-cells as well as elements near the focusing (F) and defocusing (D) quads. In a first approximation, the corrector strengths follow Simpson's Rule. Correction of second-order sextupole nonlinearities may also be obtained with the F, C, and D octupoles. Correction of nonlinearities by about three orders of magnitude are obtained, and simple solutions to a fundamental problem in synchrotrons are demonstrated. Applications to the CERN Large Hadron Collider and lower energy machines, as well as extensions for quadrupole correction, are also discussed
Harmonic projection and multipole Vectors
Lachièze-Rey, M
2004-01-01
We show that the multipole vector decomposition, recently introduced by Copi et al., is a consequence of Sylvester s theorem, and corresponds to the Maxwell representation. Analyzing it in terms of harmonic polynomials, we show that this decomposition, as well as its extension proposed by Katz and Weeks, result in fact from the application of the harmonic projection operator and its inverse. We derive the coefficients of the usual harmonic decomposition from the multipole vectors. We answer to '' an open question '' asked by Katz and Weeks, by showing that the decomposition resulting from their corollary is unstable. We propose however a new decomposition which is stable. We generalize these results to complex functions and polynomials.
Fast implementation of length-adaptive privacy amplification in quantum key distribution
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. (general)
Luithardt, Annette Franziska geb. Schmid
2016-01-01
Purpose To validate the commercially available “EyeSuite” version of the new fast thresholding algorithm GATE (German Adaptive Thresholding Estimation) for automated static perimetry. Methods Thirty patients suffering from visual pathway lesions of various origin (anterior ischemic optic neuropathy [n=3], glaucoma [n=15], (post-) chiasmal visual pathway lesion [n=6], retinitis pigmentosa (RP) [n=6]) were tested on three Octopus 900 perimeters (Haag-Streit AG, Köniz, Switzerland) wi...
Fast Linear Adaptive Skipping Training Algorithm for Training Artificial Neural Network
Manjula Devi, R.; R. C. Suganthe; S. KUPPUSWAMI
2013-01-01
Artificial neural network has been extensively consumed training model for solving pattern recognition tasks. However, training a very huge training data set using complex neural network necessitates excessively high training time. In this correspondence, a new fast Linear Adaptive Skipping Training (LAST) algorithm for training artificial neural network (ANN) is instituted. The core essence of this paper is to ameliorate the training speed of ANN by exhibiting only the input samples that do ...
Strength of a multipole residual interaction
The consequences of assuming different radial dependences for the multipole residual interaction are explored, using macroscopic and microscopic arguments. Calculations are done both for schematic and realistic cases
Improvement of the Simplified Fast Transversal Filter Type Algorithm for Adaptive Filtering
Madjid Arezki
2009-01-01
Full Text Available Problem statement: In this study, we proposed a new algorithm M-SMFTF for adaptive filtering with fast convergence and low complexity. Approach: It was the result of a simplified FTF type algorithm, where the adaptation gain was obtained only from the forward prediction variables and using a new recursive method to compute the likelihood variable. Results: The computational complexity was reduced from 7L-6L, where L is the finite impulse response filter length. Furthermore, this computational complexity can be significantly reduced to (2L+4P when used with a reduced P-size forward predictor. Conclusion: This algorithm presented a certain interest, for the adaptation of very long filters, like those used in the problems of echo acoustic cancellation, due to its reduced complexity, its numerical stability and its convergence in the presence of the speech signal.
Dorian S Houser
2013-11-01
Full Text Available 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 three 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
Polarizable atomic multipole X-ray refinement: application to peptide crystals.
Schnieders, Michael J; Fenn, Timothy D; Pande, Vijay S; Brunger, Axel T
2009-09-01
Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA-IAS model lowered R(free) by 20-40% relative to the original spherically symmetric scattering model. PMID:19690373
Adaptive Hybrid Visual Servo Regulation of Mobile Robots Based on Fast Homography Decomposition
Chunfu Wu
2015-01-01
Full Text Available For the monocular camera-based mobile robot system, an adaptive hybrid visual servo regulation algorithm which is based on a fast homography decomposition method is proposed to drive the mobile robot to its desired position and orientation, even when object’s imaging depth and camera’s position extrinsic parameters are unknown. Firstly, the homography’s particular properties caused by mobile robot’s 2-DOF motion are taken into account to induce a fast homography decomposition method. Secondly, the homography matrix and the extracted orientation error, incorporated with the desired view’s single feature point, are utilized to form an error vector and its open-loop error function. Finally, Lyapunov-based techniques are exploited to construct an adaptive regulation control law, followed by the experimental verification. The experimental results show that the proposed fast homography decomposition method is not only simple and efficient, but also highly precise. Meanwhile, the designed control law can well enable mobile robot position and orientation regulation despite the lack of depth information and camera’s position extrinsic parameters.
FFA-CONTEXT AWARE ENERGY EFFICIENT ROUTING USING FAST REACTIVE AND ADAPTIVE ALGORITHM
P. Kavitha Rani
2014-01-01
Full Text Available A vital issue of routing is how to efficiently strengthen energy consumption of the whole network and to avoid the energy-hole which leads to node failure or node death; this scenario makes the network to work improperly and leads to network death, Here we proves our hypothesis with linearity between routing and linear principles. Our proposed work effectively utilizes the adaption of Optimized particle swarm algorithm (Fast Reactive and fast adaptive algorithm in order to solve the routing problem in wireless sensor networks to avoid the energy hole. Our approach effectively defines the node leader based on energy level and path optimization for node traversing using particle swarm which effectively utilizes the solution for problem in linearity into routing problem. Our algorithm FFA redefines the particle swarm rules which are reliable in routing strategies and adapts to the working principle. The optimization in our algorithm is to balance energy level and to withstand for its context. This study proves the accuracy using our algorithm respectively by theoretical survey and analysis with simulated results.
A single-site multipole model for liquid water
Tran, Kelly N.; Tan, Ming-Liang; Ichiye, Toshiko
2016-07-01
Accurate and efficient empirical potential energy models that describe the atomistic interactions between water molecules in the liquid phase are essential for computer simulations of many problems in physics, chemistry, and biology, especially when long length or time scales are important. However, while models with non-polarizable partial charges at four or five sites in a water molecule give remarkably good values for certain properties, deficiencies have been noted in other properties and increasing the number of sites decreases computational efficiency. An alternate approach is to utilize a multipole expansion of the electrostatic potential due to the molecular charge distribution, which is exact outside the charge distribution in the limits of infinite distances or infinite orders of multipoles while partial charges are a qualitative representation of electron density as point charges. Here, a single-site multipole model of water is presented, which is as fast computationally as three-site models but is also more accurate than four- and five-site models. The dipole, quadrupole, and octupole moments are from quantum mechanical-molecular mechanical calculations so that they account for the average polarization in the liquid phase, and represent both the in-plane and out-of-plane electrostatic potentials of a water molecule in the liquid phase. This model gives accurate thermodynamic, dynamic, and dielectric properties at 298 K and 1 atm, as well as good temperature and pressure dependence of these properties.
The use of the spectral method within the fast adaptive composite grid method
McKay, S.M.
1994-12-31
The use of efficient algorithms for the solution of partial differential equations has been sought for many years. The fast adaptive composite grid (FAC) method combines an efficient algorithm with high accuracy to obtain low cost solutions to partial differential equations. The FAC method achieves fast solution by combining solutions on different grids with varying discretizations and using multigrid like techniques to find fast solution. Recently, the continuous FAC (CFAC) method has been developed which utilizes an analytic solution within a subdomain to iterate to a solution of the problem. This has been shown to achieve excellent results when the analytic solution can be found. The CFAC method will be extended to allow solvers which construct a function for the solution, e.g., spectral and finite element methods. In this discussion, the spectral methods will be used to provide a fast, accurate solution to the partial differential equation. As spectral methods are more accurate than finite difference methods, the ensuing accuracy from this hybrid method outside of the subdomain will be investigated.
Adaptive control of piezoelectric fast steering mirror for high precision tracking application
Wang, Geng; Rao, Changhui
2015-03-01
A piezoelectric fast steering mirror (PFSM) is a complex, strong coupling nonlinear system that integrates optics, mechanics, electrics, and control. Due to the existence of hysteresis nonlinearity, mechanical resonance, and all kinds of disturbances, precise tracking control of a PFSM is a challenging task. This paper presents a comprehensive study of modeling, controller design, and simulation evaluation for a PFSM system. First a general model of a PFSM system integrating mechanical dynamics, electrical dynamics, and hysteresis nonlinearity is proposed, and then a robust adaptive controller is developed under both unknown hysteresis nonlinearities and parameter uncertainties. The parameters needed directly in the formulation of the controller are adaptively estimated. The proposed control law ensures the uniform boundedness of all signals in the closed-loop system. Furthermore, a stability analysis of the control system is performed to guarantee that the output tracking error converges to zero asymptotically. Finally, simulation tests with different motion trajectories are conducted to verify the effectiveness of the proposed method.
Antonella Agodi
2005-03-01
Full Text Available
Background. Food contamination by trichothecene mycotoxins is considered to be an emerging public health problem. The aim of this study was to validate a rapid sonification protocol, previously set up for cereal Fusarium DNA extraction from fast food samples, produced by a centre for research and development in the food industry in Catania, Sicily, and to validate it for a diagnostic PCR assay targeted at tri5, the key gene of trichothecene biosynthesis.
Methods. DNA from reference Fusarium spp. strains and from fast food samples was prepared, setting up an extraction protocol adapted using some modifications based on a method recently described. Validation experiments were performed: serial dilution of DNA extracted from fungal cultures were added to food samples and then DNA was extracted. Specific primer pairs were used to detect F. graminearum and F. culmorum DNA in species-specific assays as well as trichothecene-producing Fusarium spp. in a groupspecific system.
Results. All genomic DNA extracted from trichothecene-producing Fusarium spp. as well as from DNA-spiked fast food samples and from food still in it’s original condition resulted in the correct amplification. The detection limit was 1 x 10-4 μg of DNA. All fungal and food samples tested gave highly consistent results in repeatability assays, thus demonstrating the within-lab and within/between-day precision of the method.
Conclusions. Information on the epidemiology of trichothecene producing Fusarium through the food chain and the identification of the most frequently contaminated components of fast food are essential in order to develop effective public health strategies for minimising consumer exposure to trichothecenes. Key words: Fusarium, fast food, trichothecenes, PCR
Windowed multipole for cross section Doppler broadening
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.
Adaptive AFM scan speed control for high aspect ratio fast structure tracking
Ahmad, Ahmad; Schuh, Andreas; Rangelow, Ivo W. [Department of Microelectronic and Nanoelectronic Systems, Faculty of Electrical Engineering and Information Technology Ilmenau University of Technology, Gustav-Kirchhoffstr. 1, 98684 Ilmenau (Germany)
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 a 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.
Fast and Adaptive Lossless On-Board Hyperspectral Data Compression System for Space Applications
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.
Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models
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 curr...
Fast Adapting Ensemble: A New Algorithm for Mining Data Streams with Concept Drift
Agustín Ortíz Díaz
2015-01-01
Full Text Available 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.
Arne Schroeder
2012-08-01
Full Text Available This paper proposes a compression of far field matrices in the fast multipole method and its multilevel extension for electromagnetic problems. The compression is based on a spherical harmonic representation of radiation patterns in conjunction with a radiating mode expression of the surface current. The method is applied to study near field effects and the far field of an antenna placed on a ship surface. Furthermore, the electromagnetic scattering of an electrically large plate is investigated. It is demonstrated, that the proposed technique leads to a significant memory saving, making multipole algorithms even more efficient without compromising the accuracy.
Multipole surface plasmons in metallic nanohole arrays
Nishida, Munehiro; Kadoya, Yutaka
2015-01-01
The quasi-bound 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 semi-analytically by the coupled mode method. It is shown that when the size of the nanohole occupies 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 electric 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 quasi-bound modes, multiple dark modes coexist to produce variety of Fano resonance structures on the transmission and reflection spectra.
Fast binarized time-reversed adapted-perturbation (b-TRAP) optical focusing inside scattering media
Ma, Cheng; Liu, Yan; Wang, Lihong V
2015-01-01
Light scattering inhibits high-resolution optical imaging, manipulation and therapy deep inside biological tissue by preventing focusing. To form deep foci, wavefront-shaping and time-reversal techniques that break the optical diffusion limit have been developed. For in vivo applications, such focusing must provide high gain, high speed, and a large number of spatial modes. However, none of the previous techniques meet these requirements simultaneously. Here, we overcome this challenge by rapidly measuring the perturbed optical field within a single camera exposure followed by adaptively time-reversing the phase-binarized perturbation. Consequently, a phase-conjugated wavefront is synthesized within a millisecond, two orders of magnitude shorter than the digitally achieved record. We demonstrated real-time focusing in dynamic scattering media, and extended laser speckle contrast imaging to new depths. The unprecedented combination of fast response, high gain, and large mode count makes this work a major strid...
Fast-adaptive fiber-optic sensor for ultra-small vibration and deformation measurement
Adaptive fiber-optic interferometer measuring system based on a dynamic hologram recorded in photorefractive CdTe crystal without applying an external electric field is developed. Vectorial mixing of two waves with different polarizations in the anisotropic diffraction geometry allows for the realization of linear regime of phase demodulation at the diffusion hologram. High sensitivity of the interferometer is achieved due to recording of the hologram in reflection geometry at high spatial frequencies in a crystal with sufficient concentration of photorefractive centers. The sensitivity obtained makes possible a broadband detection of ultra-small vibrations with amplitude of less then 0.1 nm. High cut-off frequency of the interferometer achieved using low-power light sources due to fast response of CdTe crystal allows one to eliminate temperature fluctuations and other industrial noises
Fast simulation of transport and adaptive permeability estimation in porous media
Berre, Inga
2005-07-01
The focus of the thesis is twofold: Both fast simulation of transport in porous media and adaptive estimation of permeability are considered. A short introduction that motivates the work on these topics is given in Chapter 1. In Chapter 2, the governing equations for one- and two-phase flow in porous media are presented. Overall numerical solution strategies for the two-phase flow model are also discussed briefly. The concepts of streamlines and time-of-flight are introduced in Chapter 3. Methods for computing streamlines and time-of-flight are also presented in this chapter. Subsequently, in Chapters 4 and 5, the focus is on simulation of transport in a time-of-flight perspective. In Chapter 4, transport of fluids along streamlines is considered. Chapter 5 introduces a different viewpoint based on the evolution of isocontours of the fluid saturation. While the first chapters focus on the forward problem, which consists in solving a mathematical model given the reservoir parameters, Chapters 6, 7 and 8 are devoted to the inverse problem of permeability estimation. An introduction to the problem of identifying spatial variability in reservoir permeability by inversion of dynamic production data is given in Chapter 6. In Chapter 7, adaptive multiscale strategies for permeability estimation are discussed. Subsequently, Chapter 8 presents a level-set approach for improving piecewise constant permeability representations. Finally, Chapter 9 summarizes the results obtained in the thesis; in addition, the chapter gives some recommendations and suggests directions for future work. Part II In Part II, the following papers are included in the order they were completed: Paper A: A Streamline Front Tracking Method for Two- and Three-Phase Flow Including Capillary Forces. I. Berre, H. K. Dahle, K. H. Karlsen, and H. F. Nordhaug. In Fluid flow and transport in porous media: mathematical and numerical treatment (South Hadley, MA, 2001), volume 295 of Contemp. Math., pages 49
Fast Adaptive S-ALOHA Scheme for Event-driven Machine-to-Machine Communications
Wu, Huasen; La, Richard J; Liu, Xin; Zhang, Youguang
2012-01-01
Machine-to-Machine (M2M) communication is now playing a market-changing role in a wide range of business world. However, in event-driven M2M communications, a large number of devices activate within a short period of time, which in turn causes high radio congestions and severe access delay. To solve this problem, we propose a Fast Adaptive S-ALOHA (FASA) scheme for M2M communication systems with bursty traffic. The statistics of consecutive idle and collision slots are used in FASA to accelerate the tracking process of network status, instead of observing in a single slot. Furthermore, the fast convergence property of FASA is guaranteed by using drift analysis. Simulation results demonstrate that the proposed FASA scheme achieves near-optimal performance in reducing access delay, which outperforms that of traditional additive schemes such as PB-ALOHA. Moreover, compared to multiplicative schemes, FASA shows its robust performance even under heavy traffic load in addition to better delay performance.
Fast Model Adaptation for Automated Section Classification in Electronic Medical Records.
Ni, Jian; Delaney, Brian; Florian, Radu
2015-01-01
Medical information extraction is the automatic extraction of structured information from electronic medical records, where such information can be used for improving healthcare processes and medical decision making. In this paper, we study one important medical information extraction task called section classification. The objective of section classification is to automatically identify sections in a medical document and classify them into one of the pre-defined section types. Training section classification models typically requires large amounts of human labeled training data to achieve high accuracy. Annotating institution-specific data, however, can be both expensive and time-consuming; which poses a big hurdle for adapting a section classification model to new medical institutions. In this paper, we apply two advanced machine learning techniques, active learning and distant supervision, to reduce annotation cost and achieve fast model adaptation for automated section classification in electronic medical records. Our experiment results show that active learning reduces the annotation cost and time by more than 50%, and distant supervision can achieve good model accuracy using weakly labeled training data only. PMID:26262005
GPU-based ultra-fast direct aperture optimization for online adaptive radiation therapy
Online adaptive radiation therapy (ART) has great promise to significantly reduce normal tissue toxicity and/or improve tumor control through real-time treatment adaptations based on the current patient anatomy. However, the major technical obstacle for clinical realization of online ART, namely the inability to achieve real-time efficiency in treatment re-planning, has yet to be solved. To overcome this challenge, this paper presents our work on the implementation of an intensity-modulated radiation therapy (IMRT) direct aperture optimization (DAO) algorithm on the graphics processing unit (GPU) based on our previous work on the CPU. We formulate the DAO problem as a large-scale convex programming problem, and use an exact method called the column generation approach to deal with its extremely large dimensionality on the GPU. Five 9-field prostate and five 5-field head-and-neck IMRT clinical cases with 5 x 5 mm2 beamlet size and 2.5 x 2.5 x 2.5 mm3 voxel size were tested to evaluate our algorithm on the GPU. It takes only 0.7-3.8 s for our implementation to generate high-quality treatment plans on an NVIDIA Tesla C1060 GPU card. Our work has therefore solved a major problem in developing ultra-fast (re-)planning technologies for online ART.
Ren, Shenghan; Hu, Haihong; Li, Gen; Cao, Xu; Zhu, Shouping; Chen, Xueli; Liang, Jimin
2016-01-01
Bioluminescence tomography (BLT) has been a valuable optical molecular imaging technique to non-invasively depict the cellular and molecular processes in living animals with high sensitivity and specificity. Due to the inherent ill-posedness of BLT, a priori information of anatomical structure is usually incorporated into the reconstruction. The structural information is usually provided by computed tomography (CT) or magnetic resonance imaging (MRI). In order to obtain better quantitative results, BLT reconstruction with heterogeneous tissues needs to segment the internal organs and discretize them into meshes with the finite element method (FEM). It is time-consuming and difficult to handle the segmentation and discretization problems. In this paper, we present a fast reconstruction method for BLT based on multi-atlas registration and adaptive voxel discretization to relieve the complicated data processing procedure involved in the hybrid BLT/CT system. A multi-atlas registration method is first adopted to estimate the internal organ distribution of the imaged animal. Then, the animal volume is adaptively discretized into hexahedral voxels, which are fed into FEM for the following BLT reconstruction. The proposed method is validated in both numerical simulation and an in vivo study. The results demonstrate that the proposed method can reconstruct the bioluminescence source efficiently with satisfactory accuracy.
Ren, Shenghan; Hu, Haihong; Li, Gen; Cao, Xu; Zhu, Shouping; Chen, Xueli; Liang, Jimin
2016-04-01
Bioluminescence tomography (BLT) has been a valuable optical molecular imaging technique to non-invasively depict the cellular and molecular processes in living animals with high sensitivity and specificity. Due to the inherent ill-posedness of BLT, a priori information of anatomical structure is usually incorporated into the reconstruction. The structural information is usually provided by computed tomography (CT) or magnetic resonance imaging (MRI). In order to obtain better quantitative results, BLT reconstruction with heterogeneous tissues needs to segment the internal organs and discretize them into meshes with the finite element method (FEM). It is time-consuming and difficult to handle the segmentation and discretization problems. In this paper, we present a fast reconstruction method for BLT based on multi-atlas registration and adaptive voxel discretization to relieve the complicated data processing procedure involved in the hybrid BLT/CT system. A multi-atlas registration method is first adopted to estimate the internal organ distribution of the imaged animal. Then, the animal volume is adaptively discretized into hexahedral voxels, which are fed into FEM for the following BLT reconstruction. The proposed method is validated in both numerical simulation and an in vivo study. The results demonstrate that the proposed method can reconstruct the bioluminescence source efficiently with satisfactory accuracy. PMID:27446674
Park, Eunjeong; Nam, Hyo Suk
2009-11-01
The need for fast treatment of patients in critical conditions motivates the use of mobile devices to provide prompt and consistent communication between hospitals and physicians. We propose a framework that supports ubiquitous access to medical systems using personalized mobile services and integrated medical systems. The proposed service-oriented medical framework provides dynamically composed services that are adapted to contextual variables such as the user's role, the network bandwidth, and resources available at mobile devices while supporting task allocation in distributed servers for massive resource-consuming services. It also manages accurate patient data by integrating local medical systems using medical information standards such as Digital Imaging and Communications in Medicine and Health Level 7. We have demonstrated the effectiveness of our framework by building a prototype of context-based adaptation of computerized tomography image retrieval for acute stroke treatments, which allows images to be viewed on mobile devices with WiMax wireless network. The proposed medical framework reduces hospital delays of patients and facilitates treatments in the absence of medical specialists. PMID:19775976
Adaptive control of piezoelectric fast steering mirror for high precision tracking application
A piezoelectric fast steering mirror (PFSM) is a complex, strong coupling nonlinear system that integrates optics, mechanics, electrics, and control. Due to the existence of hysteresis nonlinearity, mechanical resonance, and all kinds of disturbances, precise tracking control of a PFSM is a challenging task. This paper presents a comprehensive study of modeling, controller design, and simulation evaluation for a PFSM system. First a general model of a PFSM system integrating mechanical dynamics, electrical dynamics, and hysteresis nonlinearity is proposed, and then a robust adaptive controller is developed under both unknown hysteresis nonlinearities and parameter uncertainties. The parameters needed directly in the formulation of the controller are adaptively estimated. The proposed control law ensures the uniform boundedness of all signals in the closed-loop system. Furthermore, a stability analysis of the control system is performed to guarantee that the output tracking error converges to zero asymptotically. Finally, simulation tests with different motion trajectories are conducted to verify the effectiveness of the proposed method. (paper)
Suppressing CMB low multipoles with ISW effect
Recent results of Planck data reveal that the power [1,2] in the low multipoles of the CMB angular power spectrum, approximately up to l = 30, is significantly lower than the theoretically predicted in the best fit ΛCDM model. There are different known physical effects that can affect the power at low multipoles, such as features in the primordial power spectrum (PPS) in some models of inflation and ISW effect. In this paper we investigate the possibility of invoking the Integrated Sachs-Wolfe (ISW) effect to explain the power deficit at low multipoles. The ISW effect that originates from the late time expansion history of the universe is rich in possibilities given the limited understanding of the origin of dark energy (DE). It is a common understanding that the ISW effect adds to the power at the low multipoles of the CMB angular power spectrum. In this paper we carry out an analytic study to show that there are some expansion histories in which the ISW effect, instead of adding power, provides negative contribution to the power at low multipoles. Guided by the analytic study, we present examples of the features required in the late time expansion history of the universe that could explain the power deficiency through the ISW effect. We also show that an ISW origin of power deficiency is consistent, at present, with other cosmological observations that probe the expansion history such as distance modulus, matter power spectrum and the evolution of cluster number count. We also show that the ISW effect may be distinguished from power deficit originating from features in the PPS using the measurements of the CMB polarization spectrum at low multipoles expected from Planck. We conclude that the power at low multipoles of the CMB anisotropy could well be closely linked to Dark Energy puzzle in cosmology and this observation could be actually pointing to richer phenomenology of DE beyond the cosmological constant Λ
Eddy-current-induced multipole field calculations
Time-varying magnetic fields of magnets in booster accelerators induce substantial eddy currents in the vacuum chambers. The eddy currents in turn act to produce various multipole fields that act on the beam. These fields must be taken into account when doing a lattice design. In the APS booster, the relatively long dipole magnets (3 meters) are linearly ramped to accelerate the injected 325 MeV beam to 7 GeV. Substantial dipole and sextupole fields are generated in the elliptical vacuum chamber from the induced eddy currents. In this note, formulas for the induced dipole and sextupole fields are derived for elliptical and rectangular vacuum chambers for a time-varying dipole field. A discussion is given on how to generalize this derivation method to include eddy-current-induced multipole fields from higher multipole magnets (quadrupole, sextupole, etc.). Finally, transient effects are considered
Electromagnetic multipole fields of neutron stars
There is now indisputable evidence that some pulsars possess space velocities so high that internal asymmetries in the dynamics of their formation are strongly implied. We develop in this paper a complete formalism for the calculation of the only such mechanism that has yet been subjected to quantitative analysis: electromagnetic recoil radiation. To make the general problem tractable without doing violence to the physics, we have made the following simplifying assumptions: (1) the magnetic induction B in athin shell enclosing the surface can be satisfactorily approximated by a sum of vacuum multipole fields; (2) the star is spherical, and all parts are in good electrical contact; (3) vertical-bar Ω X r vertical-barvery-much-less-thanc everywhere within the star; and (4) the star is surrounded by a vacuum. Our qualitative conclusions hold even if these assumptions are violated, but corrections to our quantitative results required by a relaxation of our assumptions are not easily computed.Given this simple electrodynamic model of a neutron star, we solve the following problems: (1) What electric multipoles are induced by each magnetic multipole. (2) What is the general formula for the recoil produced by the projection on the rotational axis of a net linear momentum flux produced by the rotation of any two magnetic multipoles. (3) What is the set of centered multipoles that represents the field of an arbitrary off-centered multipole. We use these general results go perform a detailed analysis of the linear momentum radiated by an off-centered dipole. We find a force larger by a factor 6 than that obtained for the special case treated in the best previous calculation. In spite of this considerable increase in the computed strengrh of the effect, we still believe it to be too weak to produce the large space velocities observed for pulsars. For the mechanism to be effective, the pulsar must be born rotating near the breakup velocity
A Fast Adaptive Artificial Neural Network Controller for Flexible Link Manipulators
Amin Riad Maouche
2016-01-01
Full Text Available This paper describes a hybrid approach to the problem of controlling flexible link manipulators in the dynamic phase of the trajectory. A flexible beam/arm is an appealing option for civil and military applications, such as space-based robot manipulators. However, flexibility brings with it unwanted oscillations and severe chattering which may even lead to an unstable system. To tackle these challenges, a novel control architecture scheme is presented. First, a neural network controller based on the robot’s dynamic equation of motion is elaborated. Its aim is to produce a fast and stable control of the joint position and velocity and damp the vibration of each arm. Then, an adaptive Cerebellar Model Articulation Controller (CMAC is implemented to balance unmodeled dynamics, enhancing the precision of the control. Efficiency of the new controller obtained is tested on a two-link flexible manipulator. Simulation results on a dynamic trajectory with a sinusoidal form show the effectiveness of the proposed control strategy.
Adaptation of fast responding power supply for radial position control in SST-1
A high current, fast responding power supply was installed in 2005 for vertical stabilization of elongated plasmas in SST-1 tokamak. Presently, during initial experiments of SST-1 tokamak the need for radial control during current build-up was envisaged. For this purpose the existing power supply was suitable and the same was re-commissioned and control adaptations were carried as per experimental requirements. This paper highlights the capabilities of the power supply and details the modifications in the control interfaces and test programs for the radial control purpose. Details of the operation of the power supply along with control interfaces with performance measurements are provided. The re-commissioning provided an opportunity in the trouble shooting methods and sequential operation of the system. With the operational use on the actual coil the mutual effects are understood better and appropriate test programs are prepared. The power supply provided satisfactory performance for the intended use. In additional the system is suitable to simulate a plasma current loop to enable the testing and calibration of Rogowski coil used for plasma current measurement. (author)
Zuidmeer-Jongejan, Laurian; Fernandez-Rivas, Montserrat; Poulsen, Lars K.;
2012-01-01
ABSTRACT: The FAST project (Food Allergy Specific Immunotherapy) aims at the development of safe and effective treatment of food allergies, targeting prevalent, persistent and severe allergy to fish and peach. Classical allergen-specific immunotherapy (SIT), using subcutaneous injections with...... aqueous food extracts may be effective but has proven to be accompanied by too many anaphylactic side-effects. FAST aims to develop a safe alternative by replacing food extracts with hypoallergenic recombinant major allergens as the active ingredients of SIT. Both severe fish and peach allergy are caused...... lower their threshold for fish or peach intake, thereby decreasing their anxiety and dependence on rescue medication....
Dipole leakage and low CMB multipoles
A number of studies of WMAP-7 have highlighted that the power at the low multipoles in CMB power spectrum is lower than their theoretically predicted value. Angular correlation between the orientations of these low multipoles have also been discovered. While these observations may have cosmological ramification, it is important to investigate possible observational artifacts that can mimic them. The CMB dipole, which is much higher than the quadrupole, can get leaked to the higher multipoles due to the non-circular beam of the CMB experiment. In this paper, an analytical method has been developed and simulations are carried out to study the effect of the non-circular beam on power leakage from the dipole. It has been shown that the small, but non-negligible power from the dipole can get transferred to the quadrupole and the higher multipoles due to the non-circular beam. Simulations have also been carried out for Planck scan strategy, and comparative results between WMAP and Planck have been presented
Multipole expansion approach to Ostwald ripening
A multipole expansion theory is used to derive a kinetic equation for a collection of droplets undergoing the Ostwald ripening or coarsening in two dimensions. The theory allows the morphological change of coarsening droplets as well as the migration behavior. Numerical computations are performed to give a good estimate to the solution of Laplace equation even in a few mode truncation
Dipole leakage and low CMB multipoles
Das, Santanu
2012-01-01
A number of studies of WMAP-7 have highlighted that the power at the low multipoles in CMB power spectrum are lower than their theoretically predicted values. Angular correlation between the orientations of these low multipoles have also been discovered. While these observations may have cosmological ramification, it is important to investigate possible observational artifacts that can mimic them. The CMB dipole which is almost 550 times higher than the quadrupole can get leaked to the higher multipoles due to the non-circular beam of the CMB experiment. In this paper an analytical method has been developed and simulations are carried out to study the effect of the non-circular beam on power leakage from the dipole. It has been shown that the small, but non-negligible power from the dipole can get transferred to the quadrupole and the higher multipoles due to the non-circular beam. Simulations have also been carried out for Planck scan strategy and comparative results between WMAP and Planck have been present...
Thermal conductivity and resonant multipole interactions.
Nyeland, C.; Mason, E. A.; Monchick, L.
1972-01-01
Investigation of the influence of resonant multipole interactions on exchanges of rotational energy in molecular collisions, by means of a simple two-state impact-parameter approximation. It is found that dipole-quadrupole and quadrupole-quadrupole interactions can have a significant effect for molecules with low moments of inertia.
Equilibrium and stability of the multipole
The equilibrium and linear ballooning mode stability of a plasma in an axisymmetric closed field line device such as the multipole is investigated. Two models of the plasma are used, a kinetic model and an ideal MHD model, and the results are compared. Numerical calculations are made of the equilibrium and of ballooning mode stability criteria in the Wisconsin Levitated Octupole device
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. PMID:27288636
HU Bing; FANG Zhi-chu
2008-01-01
Due to actuator time delay existing in an adaptive control of the active balancing system for a fastspeed-varying Jeffcott rotor, if an unsynchronized control force (correction imbalance) is applied to the system,it may lead to degradation in control efficiency and instability of the control system. In order to avoid theseshortcomings, a simple adaptive controller was designed for a strictly positive real rotor system with actuatortime delay, then a Lyapunov-Krasovskii functional was constructed after an appropriate transform of this sys-tem model, the stability conditions of this adaptive control system with actuator time delay were derived. Afteradding a filter function, the active balancing system for the fast speed-varying Jeffcott rotor with actuator timedelay can easily be converted to a strictly positive real system, and thus it can use the above adaptive controllersatisfying the stability conditions. Finally, numerical simulations show that the adaptive controller proposedworks very well to perform the active balancing for the fast speed-varying Jeffcott rotor with actuator timedelay.
Multipole Analysis of Circular Cylindircal Magnetic Systems
J Selvaggi
2006-01-09
This thesis deals with an alternate method for computing the external magnetic field from a circular cylindrical magnetic source. The primary objective is to characterize the magnetic source in terms of its equivalent multipole distribution. This multipole distribution must be valid at points close to the cylindrical source and a spherical multipole expansion is ill-equipped to handle this problem; therefore a new method must be introduced. This method, based upon the free-space Green's function in cylindrical coordinates, is developed as an alternative to the more familiar spherical harmonic expansion. A family of special functions, called the toroidal functions or Q-functions, are found to exhibit the necessary properties for analyzing circular cylindrical geometries. In particular, the toroidal function of zeroth order, which comes from the integral formulation of the free-space Green's function in cylindrical coordinates, is employed to handle magnetic sources which exhibit circular cylindrical symmetry. The toroidal functions, also called Q-functions, are the weighting coefficients in a ''Fourier series-like'' expansion which represents the free-space Green's function. It is also called a toroidal expansion. This expansion can be directly employed in electrostatic, magnetostatic, and electrodynamic problems which exhibit cylindrical symmetry. Also, it is shown that they can be used as an alternative to the Elliptic integral formulation. In fact, anywhere that an Elliptic integral appears, one can replace it with its corresponding Q-function representation. A number of problems, using the toroidal expansion formulation, are analyzed and compared to existing known methods in order to validate the results. Also, the equivalent multipole distribution is found for most of the solved problems along with its corresponding physical interpretation. The main application is to characterize the external magnetic field due to a six
Drumea, Georges,; Frezza-Buet, Hervé
2007-01-01
International audience In this paper, an original method named GNG-T, extended from GNG-U algorithm by Fritzke is presented. The method performs continuously vector quantization over a distribution that changes over time. It deals with both sudden changes and continuous ones, and is thus suited for video tracking framework, where continuous tracking is required as well as fast adaptation to incoming and outgoing people. The central mechanism relies on the management of quantization resolut...
Nuclear photonics at ultra-high counting rates and higher multipole excitations
Thirolf, P. G.; Habs, D.; Filipescu, D.; Gernhäuser, R.; Günther, M. M.; Jentschel, M.; Marginean, N.; Pietralla, N.
2012-07-01
Next-generation γ 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 1013 γ/sec. The beam structure as presently foreseen for MEGa-Ray and ELI-NP builds upon a structure of macro-pulses (˜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 γ pulse series with a duration of about 100 ns will impinge on the target, resulting in an instantaneous photon flux of about 1018 γ/s, thus introducing major challenges in view of pile-up. Novel γ optics will be applied to monochromatize the γ beam to ultimately ΔE/E˜10-6. Thus level-selective spectroscopy of higher multipole excitations will become accessible with good contrast for the first time. Fast responding γ detectors, e.g. based on advanced scintillator technology (e.g. LaBr3(Ce)) allow for measurements with count rates as high as 106-107 γ/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 LaBr3 detectors with digital readout appears to best suited for this novel type of nuclear photonics at ultra-high counting rates.
Nuclear photonics at ultra-high counting rates and higher multipole excitations
Thirolf, P. G.; Habs, D.; Filipescu, D.; Gernhaeuser, R.; Guenther, M. M.; Jentschel, M.; Marginean, N.; Pietralla, N. [Fakultaet f. Physik, Ludwig-Maximilians-Universitaet Muenchen, Garching (Germany); Fakultaet f. Physik, Ludwig-Maximilians-Universitaet Muenchen, Garching, Germany and Max-Planck-Institute f. Quantum Optics, Garching (Germany); IFIN-HH, Bucharest-Magurele (Romania); Physik Department E12,Technische Universitaet Muenchen, Garching (Germany); Max-Planck-Institute f. Quantum Optics, Garching (Germany); Institut Laue-Langevin, Grenoble (France); Physik Department E12,Technische Universitaet Muenchen, Garching (Germany); Institut f. Kernphysik, Technische Universitaet Darmstadt (Germany)
2012-07-09
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 the 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.
Fast 3D EM scattering and radiation solvers based on MLFMA
Hu Jun; Nie Zaiping; Lei Lin; Hu Jie; Gong Xiaodong; Zhao Huapeng
2008-01-01
As the fastest integral equation solver to date, the multilevel fast multipole algorithm (MLFMA)has been applied successfully to solve electromagnetic scattering and radiation from 3D electrically large objects.But for very large-scale problems, the storage and CPU time required in MLFMA are still expensive. Fast 3D electromagnetic scattering and radiation solvers are introduced based on MLFMA. A brief review of MLFMA is first given. Then, four fast methods including higher-order MLFMA (HO-MLFMA), fast far field approximation combined with adaptive ray propagation MLFMA (FAFFA-ARP-MLFMA), local MLFMA and parallel MLFMA are introduced. Some typical numerical results demonstrate the efficiency of these fast methods.
A Fast, Locally Adaptive, Interactive Retrieval Algorithm for the Analysis of DIAL Measurements
Samarov, D. V.; Rogers, R.; Hair, J. W.; Douglass, K. O.; Plusquellic, D.
2010-12-01
Differential absorption light detection and ranging (DIAL) is a laser-based tool which is used for remote, range-resolved measurement of particular gases in the atmosphere, such as carbon-dioxide and methane. In many instances it is of interest to study how these gases are distributed over a region such as a landfill, factory, or farm. While a single DIAL measurement only tells us about the distribution of a gas along a single path, a sequence of consecutive measurements provides us with information on how that gas is distributed over a region, making DIAL a natural choice for such studies. DIAL measurements present a number of interesting challenges; first, in order to convert the raw data to concentration it is necessary to estimate the derivative along the path of the measurement. Second, as the distribution of gases across a region can be highly heterogeneous it is important that the spatial nature of the measurements be taken into account. Finally, since it is common for the set of collected measurements to be quite large it is important for the method to be computationally efficient. Existing work based on Local Polynomial Regression (LPR) has been developed which addresses the first two issues, but the issue of computational speed remains an open problem. In addition to the latter, another desirable property is to allow user input into the algorithm. In this talk we present a novel method based on LPR which utilizes a variant of the RODEO algorithm to provide a fast, locally adaptive and interactive approach to the analysis of DIAL measurements. This methodology is motivated by and applied to several simulated examples and a study out of NASA Langley Research Center (LaRC) looking at the estimation of aerosol extinction in the atmosphere. A comparison study of our method against several other algorithms is also presented. References Chaudhuri, P., Marron, J.S., Scale-space view of curve estimation, Annals of Statistics 28 (2000) 408-428. Duong, T., Cowling
Theory and application of plane elliptic multipoles for static magnetic fields
Schnizer, P. [Gesellschaft fuer Schwerionenforschung, Darmstadt (Germany)], E-mail: p.schnizer@gsi.de; Schnizer, B. [Technische Universitaet Graz (Austria)], E-mail: schnizer@itp.tu-graz.ac.at; Akishin, P. [Joint Institute for Nuclear Research, Dubna, Moscow Region (Russian Federation)], E-mail: akishin@jinr.ru; Fischer, E. [Gesellschaft fuer Schwerionenforschung, Darmstadt (Germany)], E-mail: e.fischer@gsi.de
2009-08-21
Standard textbooks on beam dynamics study the impact of the magnetic field quality on the beam using field representations based on circular multipoles. Iron dominated magnets, however, typically provide a good field region with a non-circular aspect ratio (i.e. an ellipse whose axis a is significantly larger than the axis b); a boundary not ideal for circular multipoles. The development of superconductors, originally driven to reach fields above {approx}2T, allows using them today in completely different fields: iron dominated DC magnets, to save the energy for coil powering as well as repeatedly fast ramped magnets. The cold mass of magnets, housed in common cryostats sectors, makes it tedious to implement additional correction magnets at a later stage, as it requires to warm up the sections where the magnets should be installed as well as unwelding the cryostat. Thus the field homogeneity of the magnets and its influence on the beam has to be thoroughly studied during the project planning phase. Elliptic multipoles, a new type of field expansion for static or quasi-static (here magnetic) two-dimensional fields, are proposed and investigated, which are particular solutions of the potential equation in plane elliptic coordinates obtained by the method of separation. The proper subsets of these particular solutions appropriate for representing static real or complex fields regular within an ellipse are identified. Formulas are given for computing expansion coefficients from given fields. The advantage of this new approach is that the expansion is valid, convergent and accurate in a larger domain, namely in an ellipse circumscribed to the reference circle of the common circular multipoles in polar coordinates. Formulas are derived for calculating the circular multipoles from the elliptical ones. The effectiveness of the approach was tested on many different magnet designs and is illustrated here on the dipole design chosen for the core synchrotron (SIS 100) of the
Multipole Traps as Tools in Environmental Studies
Mihalcea, Bogdan M; Giurgiu, Liviu C; Groza, Andreea; Surmeian, Agavni; Ganciu, Mihai; Filinov, Vladimir; Lapitsky, Dmitry; Deputatova, Lidiya; Vasilyak, Leonid; Pecherkin, Vladimir; Vladimirov, Vladimir; Syrovatka, Roman
2015-01-01
Trapping of microparticles, nanoparticles and aerosols is an issue of major interest for physics and chemistry. We present a setup intended for microparticle trapping in multipole linear Paul trap geometries, operating under Standard Ambient Temperature and Pressure (SATP) conditions. A 16-electrode linear trap geometry has been designed and tested, with an aim to confine a larger number of particles with respect to quadrupole traps and thus enhance the signal to noise ratio, as well as to study microparticle dynamical stability in electrodynamic fields. Experimental tests and numerical simulations suggest that multipole traps are very suited for high precision mass spectrometry measurements in case of different microparticle species or to identify the presence of certain aerosols and polluting agents in the atmosphere. Particle traps represent versatile tools for environment monitoring or for the study of many-body Coulomb systems and dusty plasmas.
Poloidal OHMIC heating in a multipole
The feasibility of using poloidal currents to heat plasmas confined by a multipole field has been examined experimentaly in Tokapole II. The machine is operated as a toroidal octupole, with a time-varying toroidal magnetic field driving poloidal plasma currents I/sub plasma/ - 20 kA to give densities n/sub e/ - 1013 cm-3 and temperatures T/sub e/ - 30 eV
Multipole solutions in metric-affine gravity
Socorro, J; Macías, A; Mielke, E W; Socorro, José; Lämmerzahl, Claus; Macías, Alfredo; Mielke, Eckehard W.
1998-01-01
Above Planck energies, the spacetime might become non--Riemannian, as it is known fron string theory and inflation. Then geometries arise in which nonmetricity and torsion appear as field strengths, side by side with curvature. By gauging the affine group, a metric affine gauge theory emerges as dynamical framework. Here, by using the harmonic map ansatz, a new class of multipole like solutions in the metric affine gravity theory (MAG) is obtained.
Poloidal OHMIC heating in a multipole
Holly, D.J.
1982-01-01
The feasibility of using poloidal currents to heat plasmas confined by a multipole field has been examined experimentaly in Tokapole II. The machine is operated as a toroidal octupole, with a time-varying toroidal magnetic field driving poloidal plasma currents I/sub plasma/ - 20 kA to give densities n/sub e/ - 10/sup 13/ cm/sup -3/ and temperatures T/sub e/ - 30 eV.
A new adaptive fast motion estimation algorithm based on local motion similarity degree (LMSD)
LIU Long; HAN Chongzhao; BAI Yan
2005-01-01
In the motion vector field adaptive search technique (MVFAST) and the predictive motion vector field adaptive search technique (PMVFAST), the size of the largest motion vector from the three adjacent blocks (left, top, top-right) is compared with the threshold to select different search scheme. But a suitable search center and search pattern will not be selected in the adaptive search technique when the adjacent motion vectors are not coherent in local region. This paper presents an efficient adaptive search algorithm. The motion vector variation degree (MVVD) is considered a reasonable factor for adaptive search selection. By the relationship between local motion similarity degree (LMSD) and the variation degree of motion vector (MVVD), the motion vectors are classified as three categories according to corresponding LMSD; then different proposed search schemes are adopted for motion estimation. The experimental results show that the proposed algorithm has a significant computational speedup compared with MVFAST and PMVFAST algorithms, and offers a similar, even better performance.
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.
Source integrals of multipole moments for static space-times
Hernandez-Pastora, J L; Ruiz, E
2016-01-01
The definition of Komar for the mass of a relativistic source is used as a starting point to introduce volume integrals for Relativistic Multipole Moments (RMM). A certain generalization of the classical Gauss theorem is used to rewrite these multipole moments as integrals over a surface at the infinity. Therefore it is shown that the above generalization leads to Asymptotic Relativistic Multipole Moments (ARMM), recovering the multipoles of Geroch or Thorne, when the integrals are evaluated in asympotically cartesian harmonic coordinates. Relationships regarding the Thorne definition and the classical theory of moments are shown.
肖立民; 许希斌; 姚彦
2001-01-01
Diversity combining technologies are analyzed for fastfrequency-hopping spread spectrum systems during partial-band noise jamming to develop a novel combining receiver called an Adaptive Threshold Clipper Combining Receiver (ATCCR). The optimal clipping level for an ATCCR is analyzed, computed, and compared with several other diversity combining technologies. Since the ATCCR can estimate the power of the jamming and the number of jammed frequency cells to adaptively adjust the clipper's threshold, the system performance using the adaptive threshold clipper combining technique can be greatly improved.
Fast and Flexible Tracking and Mitigating a Jamming Signal with an Adaptive Notch Filter
BORIO DANIELE; O'DRISCOLL CILLIAN; Fortuny Guasch, Joaquim
2014-01-01
GNSS jammers are small portable devices able to broadcast disruptive interference and overpower the much weaker GNSS signals. The authors consider the use of an adaptive notch filter as an effective solution for mitigating jamming effects.
Fast Spectral Velocity Estimation Using Adaptive Techniques: In-Vivo Results
Gran, Fredrik; Jakobsson, Andreas; Udesen, Jesper; Jensen, Jørgen Arendt
Adaptive spectral estimation techniques are known to provide good spectral resolution and contrast even when the observation window(OW) is very sbort. In this paper two adaptive techniques are tested and compared to the averaged perlodogram (Welch) for blood velocity estimation. The Blood Power...... spectral Capon (BPC) method is based on a standard minimum variance technique adapted to account for both averaging over slowtime and depth. The Blood Amplitude and Phase Estimation technique (BAPES) is based on finding a set of matched filters (one for each velocity component of interest) and filtering...... the blood process over slow-time and averaging over depth to find the power spectral density estimate. In this paper, the two adaptive methods are explained, and performance Is assessed in controlled steady How experiments and in-vivo measurements. The three methods were tested on a circulating How...
Role of PGC-1{alpha} in exercise and fasting induced adaptations in mouse liver
Haase, Tobias Nørresø; Jørgensen, Stine Ringholm; Leick, Lotte;
2011-01-01
The transcriptional coactivator peroxisome proliferator activated receptor (PPAR)-¿ coactivator (PGC)-1a plays a role in regulation of several metabolic pathways. By use of whole body PGC-1a knockout (KO) mice we investigated the role of PGC-1a in fasting, acute exercise and exercise training...... induced regulation of key proteins in gluconeogenesis and metabolism in the liver. In both wild type (WT) and PGC-1a KO mice liver, the mRNA content of the gluconeogenic proteins glucose-6-phosphatase (G6Pase) and phosphoenolpyruvate carboxykinase (PEPCK) was upregulated during fasting. Pyruvate...... carboxylase (PC) remained unchanged after fasting in WT mice, but was upregulated in PGC-1a KO mice. In response to a single exercise bout G6Pase mRNA was upregulated in both genotypes, whereas no significant changes were detected in PEPCK or PC mRNA. While G6Pase and PC protein remained unchanged, liver...
Khosravinia, H
2016-06-01
Four hundred and eighty mixed-sex broiler chicks aged 3 h after hatching were allotted according to a completely random design in a 6 × 2 × 2 factorial schedule into two groups of 12 replications of 20 chicks each. The main experimental factors were fasting for 0, 6, 12, 24, 36 and 48 h after chick placement and calcium gluconate (Ca-glu) injection (0 and 0.6 ml). Live body weight (BW) of chicks decreased linearly (Y = 43.36-0.109BW0 h , r(2) = 0.876) as neonatal fasting extended. Injection of 0.6 ml Ca-glu at 3 h post-hatching did not affect weight loss of chicks. Yolk residuals (YR) utilized linearly (Y = 5.75-0.062YR, r(2) = 0.956) by 0.062 g/h in neonate fasted chicks up to 48 h, showing no effect of Ca-glu injection. Neonatal fasting periods longer than 12 h increased liver weight (p < 0.05). The mean absolute and proportional (% of BW0 h ) breast and leg weight were reduced linearly as neonatal fasting extended (p < 0.05). Serum glucose concentration increased up to 6 h and then reduced linearly to 150 mg/dl after 48-h fasting. The Ca-glu treatment influenced serum glucose level for a short period up to 6 h of fasting. Serum Ca concentration sharply increased up to threefolds in the birds received Ca-glu injection resulting in acute hypercalcemia, then decreased to the initial level after 24-h feed withdrawal (p < 0.05). The mean serum level for creatinine, uric acid, cholesterol, HDL, albumins and total proteins significantly increased during the fasting periods of 6 to 48 h and significantly elevated in the birds receiving 0.6-ml Ca-glu injection compared with the non-treated chicks (p < 0.05). It was concluded that subcutaneous administration of 0.6 ml Ca-glu in the chick's neck did not suitably support the increased metabolic demands for glucose and calcium in feed-deprived neonate chicks. PMID:26344414
Fast Muting Adaptation for LTE-A HetNets with Remote Radio Heads
Soret, Beatriz; Pedersen, Klaus I.; Kolding, Troels Emil; Kroener, Hans; Maniatis, Ioannis
Management in macro-RRH cases is developed. Based on minimal information collection, we propose an algorithm that adjusts the ABS ratio on a fast basis, aiming at balancing the instantaneous load betweeen the macro and the RRH layer. Performance results with bursty traffic and low and high load conditions...
Multipole electrostatics in hydration free energy calculations.
Shi, Yue; Wu, Chuanjie; Ponder, Jay W; Ren, Pengyu
2011-04-15
Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for pharmaceutical and chemical engineering processes. Accurately predicting HFE is also recognized as one fundamental capability of molecular mechanics force field. Here, we present a systematic investigation on HFE calculations with AMOEBA polarizable force field at various parameterization and simulation conditions. The HFEs of seven small organic molecules have been obtained alchemically using the Bennett Acceptance Ratio method. We have compared two approaches to derive the atomic multipoles from quantum mechanical calculations: one directly from the new distributed multipole analysis and the other involving fitting to the electrostatic potential around the molecules. Wave functions solved at the MP2 level with four basis sets (6-311G*, 6-311++G(2d,2p), cc-pVTZ, and aug-cc-pVTZ) are used to derive the atomic multipoles. HFEs from all four basis sets show a reasonable agreement with experimental data (root mean square error 0.63 kcal/mol for aug-cc-pVTZ). We conclude that aug-cc-pVTZ gives the best performance when used with AMOEBA, and 6-311++G(2d,2p) is comparable but more efficient for larger systems. The results suggest that the inclusion of diffuse basis functions is important for capturing intermolecular interactions. The effect of long-range correction to van der Waals interaction on the hydration free energies is about 0.1 kcal/mol when the cutoff is 12Å, and increases linearly with the number of atoms in the solute/ligand. In addition, we also discussed the results from a hybrid approach that combines polarizable solute with fixed-charge water in the HFE calculation. PMID:20925089
Abdellah, Skoudarli; Mokhtar, Nibouche; Amina, Serir
2015-11-01
The H.264/AVC video coding standard is used in a wide range of applications from video conferencing to high-definition television according to its high compression efficiency. This efficiency is mainly acquired from the newly allowed prediction schemes including variable block modes. However, these schemes require a high complexity to select the optimal mode. Consequently, complexity reduction in the H.264/AVC encoder has recently become a very challenging task in the video compression domain, especially when implementing the encoder in real-time applications. Fast mode decision algorithms play an important role in reducing the overall complexity of the encoder. In this paper, we propose an adaptive fast intermode algorithm based on motion activity, temporal stationarity, and spatial homogeneity. This algorithm predicts the motion activity of the current macroblock from its neighboring blocks and identifies temporal stationary regions and spatially homogeneous regions using adaptive threshold values based on content video features. Extensive experimental work has been done in high profile, and results show that the proposed source-coding algorithm effectively reduces the computational complexity by 53.18% on average compared with the reference software encoder, while maintaining the high-coding efficiency of H.264/AVC by incurring only 0.097 dB in total peak signal-to-noise ratio and 0.228% increment on the total bit rate.
Cordero, Ninoska; Maza, Felipe; Navea-Perez, Helen; Aravena, Andrés; Marquez-Fontt, Bárbara; Navarrete, Paola; Figueroa, Guillermo; González, Mauricio; Latorre, Mauricio; Reyes-Jara, Angélica
2016-01-01
Listeria monocytogenes has become one of the principal foodborne pathogens worldwide. The capacity of this bacterium to grow at low temperatures has opened an interesting field of study in terms of the identification and classification of new strains of L. monocytogenes with different growth capacities at low temperatures. We determined the growth rate at 8°C of 110 strains of L. monocytogenes isolated from different food matrices. We identified a group of slow and fast strains according to their growth rate at 8°C and performed a global transcriptomic assay in strains previously adapted to low temperature. We then identified shared and specific transcriptional mechanisms, metabolic and cellular processes of both groups; bacterial motility was the principal process capable of differentiating the adaptation capacity of L. monocytogenes strains with different ranges of tolerance to low temperatures. Strains belonging to the fast group were less motile, which may allow these strains to achieve a greater rate of proliferation at low temperature. PMID:26973610
IBA calculations of multipole mixing ratios
Multipole mixing ratios of gamma rays serve as a sensitive probe of nuclear structure. Directional measurements, mostly by γγ angular correlation and nuclear orientation, yield the mixing ratios delta with sign. Unfortunately the results are often double valued. Furthermore, comparison between experimental and theoretical conversion coefficients can give |delta|. The E2/M1 mixing ratio delta(E2/M1) is of special importance in studying collective phenomena and models for their description. Present study is carried out mostly in terms of IBA-1, which makes no distinction between proton and neutron bosons
Roth, John R.
2010-01-01
Experiments of Pränting and Andersson demonstrate how bacteria adapt to the growth limitation caused by antibiotic resistance mutations. The process of adaptation relies on gene copy number changes that arise at high rates, including duplications (10−4/cell/generation), amplifications (10−2/cell/generation) and mutant copy loss (10−2/cell/division). Reversible increases in copy number improve growth by small steps and provide more targets for rare sequence alterations (10−9/cell/division) tha...
Multipole stack for the 4 rings of the PS Booster
1976-01-01
The PS Booster (originally 800 MeV, now 1.4 GeV) saw first beam in 1972, routine operation began in 1973. The strive for ever higher intensities required the addition of multipoles. Manufacture of 8 stacks of multipoles was launched in 1974, for installation in 1976. For details, see 7511120X.
Fast heating and cooling in nanoimprint using a spring-loaded adapter in a preheated press
Schift, Helmut; Bellini, Sandro; Gobrecht, Jens;
2007-01-01
By using a spring-loaded adapter, instant heating and cooling of wafer-type substrates was implemented in standard hot embossing equipment. This was possible by using the well-known concept of a clamped stack of stamp and substrate, pre-assembled in an alignment fixture. A number of thermoplastic...
Fast automated protein NMR data collection and assignment by ADAPT-NMR on Bruker spectrometers
Lee, Woonghee; Hu, Kaifeng; Tonelli, Marco; Bahrami, Arash; Neuhardt, Elizabeth; Glass, Karen C.; Markley, John L.
2013-11-01
ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) supports automated NMR data collection and backbone and side chain assignment for [U-13C, U-15N]-labeled proteins. Given the sequence of the protein and data for the orthogonal 2D 1H-15N and 1H-13C planes, the algorithm automatically directs the collection of tilted plane data from a variety of triple-resonance experiments so as to follow an efficient pathway toward the probabilistic assignment of 1H, 13C, and 15N signals to specific atoms in the covalent structure of the protein. Data collection and assignment calculations continue until the addition of new data no longer improves the assignment score. ADAPT-NMR was first implemented on Varian (Agilent) spectrometers [A. Bahrami, M. Tonelli, S.C. Sahu, K.K. Singarapu, H.R. Eghbalnia, J.L. Markley, PLoS One 7 (2012) e33173]. Because of broader interest in the approach, we present here a version of ADAPT-NMR for Bruker spectrometers. We have developed two AU console programs (ADAPT_ORTHO_run and ADAPT_NMR_run) that run under TOPSPIN Versions 3.0 and higher. To illustrate the performance of the algorithm on a Bruker spectrometer, we tested one protein, chlorella ubiquitin (76 amino acid residues), that had been used with the Varian version: the Bruker and Varian versions achieved the same level of assignment completeness (98% in 20 h). As a more rigorous evaluation of the Bruker version, we tested a larger protein, BRPF1 bromodomain (114 amino acid residues), which yielded an automated assignment completeness of 86% in 55 h. Both experiments were carried out on a 500 MHz Bruker AVANCE III spectrometer equipped with a z-gradient 5 mm TCI probe. ADAPT-NMR is available at http://pine.nmrfam.wisc.edu/ADAPT-NMR in the form of pulse programs, the two AU programs, and instructions for installation and use.
Antonella Agodi; Martina Barchitta; Margherita Ferrante; Salvatore Sciacca; Ludwig Niessen
2005-01-01
Background. Food contamination by trichothecene mycotoxins is considered to be an emerging public health problem. The aim of this study was to validate a rapid sonification protocol, previously set up for cereal Fusarium DNA extraction from fast food samples, produced by a centre for research and development in the food industry in Catania, Sicily, and to validate it for a diagnostic PCR assay targeted at tri5, the key gene of trichothecene biosynthesis.&...
Microscopic Theory of Multipole Ordering in f-Electron Systems
Takashi Hotta
2012-01-01
Full Text Available A microscopic framework to determine multipole ordering in f-electron systems is provided on the basis of the standard quantum field theory. For the construction of the framework, a seven-orbital Hubbard Hamiltonian with strong spin-orbit coupling is adopted as a prototype model. A type of multipole and ordering vector is determined from the divergence of multipole susceptibility, which is evaluated in a random phase approximation. As an example of the application of the present framework, a multipole phase diagram on a three-dimensional simple cubic lattice is discussed for the case of n=2, where n denotes the average f-electron number per site. Finally, future problems concerning multipole ordering and fluctuations are briefly discussed.
Multipole Stack for the 800 MeV PS Booster
1975-01-01
The 800 MeV PS Booster had seen first beam in its 4 superposed rings in 1972, routine operation began in 1973. In the strive for ever higher beam intensities, the need for additional multipole lenses became evident. After detailed studies, the manufacture of 8 stacks of multipoles was launched in 1974. Each stack consists of 4 superposed multipoles and each multipole has 4 concentric shells. From the innermost to the outermost shell, Type A contains octupole, skew-octupole, sextupole, skew-sextupole. Type B contains skew-octupole, skew-sextupole, vertical dipole, horizontal dipole. Completion of installation in 1976 opened the way to higher beam intensities. M. Battiaz is seen here with a multipole stack and its many electrical connections.
Revising the Multipole Moments of Numerical Spacetimes and its Consequences
Pappas, George; Apostolatos, Theocharis A.
2012-06-01
Identifying the relativistic multipole moments of a spacetime of an astrophysical object that has been constructed numerically is of major interest, both because the multipole moments are intimately related to the internal structure of the object, and because the construction of a suitable analytic metric that mimics a numerical metric should be based on the multipole moments of the latter one in order to yield a reliable representation. In this Letter, we show that there has been a widespread delusion in the way the multipole moments of a numerical metric are read from the asymptotic expansion of the metric functions. We show how one should read correctly the first few multipole moments (starting from the quadrupole mass moment) and how these corrected moments improve the efficiency of describing the metric functions with analytic metrics that have already been used in the literature, as well as other consequences of using the correct moments.
Revising the multipole moments of numerical spacetimes, and its consequences
Pappas, George
2012-01-01
Identifying the relativistic multipole moments of a spacetime of an astrophysical object that has been constructed numerically is of major interest, both because the multipole moments are intimately related to the internal structure of the object, and because the construction of a suitable analytic metric that mimics a numerical metric should be based on the multipole moments of the latter one, in order to yield a reliable representation. In this note we show that there has been a widespread delusion in the way the multipole moments of a numerical metric are read from the asymptotic expansion of the metric functions. We show how one should read correctly the first few multipole moments (starting from the quadrupole mass-moment), and how these corrected moments improve the efficiency of describing the metric functions with analytic metrics that have already been used in the literature, as well as other consequences of using the correct moments.
Generation of fast neturon spectra using an adaptive Gauss-Kronrod Quadrature algorithm
Triplett, Brian Scott
A lattice physics calculation is often the first step in analyzing a nuclear reactor. This calculation condenses regions of the reactor into average parameters (i.e., group constants) that can be used in coarser full-core, time-dependent calculations. This work presents a high-fidelity deterministic method for calculating the neutron energy spectrum in an infinite medium. The spectrum resulting from this calculation can be used to generate accurate group constants. This method includes a numerical algorithm based on Gauss-Kronrod Quadrature to determine the neutron transfer source to a given energy while controlling numerical error. This algorithm was implemented in a pointwise transport solver program called Pointwise Fast Spectrum Generator (PWFSG). PWFSG was benchmarked against the Monte Carlo program MCNP and another pointwise spectrum generation program, CENTRM, for a set of fast reactor infinite medium example cases. PWFSG showed good agreement with MCNP, yielding coefficients of determination above 98% for all example cases. In addition, PWFSG had 6 to 8 times lower flux estimation error than CENTRM in the cases examined. With run-times comparable to CENTRM, PWFSG represents a robust set of methods for generation of fast neutron spectra with increased accuracy without increased computational cost.
Computation of electrostatic lenses and multipoles by the first order finite element method
The use of the first order finite element method for the computation of electrostatic rotationally symmetric electron lenses and electrostatic multipole elements is described. Attention is paid to the correct evaluation of the coefficients of FEM equations. Specific features in the program implementation include the use of thin electrodes, the use of dense fine mesh with smoothly varying step size, and the solution of the resulting set of linear equations with a fast and efficient ICCG method. The program is equipped with a suitable user interface allowing data input and modification graphically or by editing in clearly arranged menus, automeshing procedure for the generation of the fine mesh, and allowing display and plotter output of computed results. In a related program for electrostatic multipoles higher order harmonic components can be calculated. The use and the accuracy of the programs is illustrated by an example of the computation of a two-tube electrostatic lens, and by the evaluation of the axial mult ipole function for higher multipoles. (orig.)
Research on fast real-time adaptive audio mixing in multimedia conference
FAN Xing; GU Wei-kang; YE Xiu-qing
2005-01-01
In multimedia conference, the capability of audio processing is basic and requires more for real-time criteria. In this article, we categorize and analyze the schemes, and provide several multipoint speech audio mixing schemes using weighted algorithm, which meet the demand of practical needs for real-time multipoint speech mixing, for which the ASW and AEW schemes are especially recommended. Applying the adaptive algorithms, the high-performance schemes we provide do not use the saturation operation widely used in multimedia processing. Therefore, no additional noise will be added to the output. The above adaptive algorithms have relatively low computational complexity and good hearing perceptibility. The schemes are designed for parallel processing, and can be easily implemented with hardware, such as DSPs, and widely applied in multimedia conference systems.
Jawerth, Bjoern; Sweldens, Wim
1993-01-01
We present ideas on how to use wavelets in the solution of boundary value ordinary differential equations. Rather than using classical wavelets, we adapt their construction so that they become (bi)orthogonal with respect to the inner product defined by the operator. The stiffness matrix in a Galerkin method then becomes diagonal and can thus be trivially inverted. We show how one can construct an O(N) algorithm for various constant and variable coefficient operators.
Adaptive prediction in digitally controlled buck converter with fast load transient response
Lee, TLA; Chan, PCH
2012-01-01
An adaptive prediction scheme based on linear extrapolation for digitally controlled voltage-mode buck-type switching converter is presented. A major drawback of conventional digitally controlled switching converters is bandwidth limitation due to the additional phase lag in the digital feedback control loop. By predicting the future error voltage, the ADC sampling time delay is compensated in order to achieve a higher bandwidth even with a modest sampling rate. Both simulation and measuremen...
Amplifying effect of a release mechanism for fast adaptation in the hair bundle.
Sul, Bora; Iwasa, Kuni H
2009-07-01
A "release" mechanism, which has been experimentally observed as the fast component in the hair bundle's response to mechanical stimulation, appears similar to common mechanical relaxation with a damping effect. This observation is puzzling because such a response is expected to have an amplifying role in the mechanoelectrical transduction process in hair cells. Here it is shown that a release mechanism can indeed have a role in amplification, if it is associated with negative stiffness due to the gating of the mechonoelectric transducer channel. PMID:19603855
Investigation of the self field resonance instability of Ioffe-multipole stabilized electron rings
Experiments carried out on the RECE-Berta field reversing electron-ring device have identified a new type of anomalous particle loss caused by externally applied quadrupole-Ioffe magnetic field perturbations. Magnetic probe measurements of the ring magnetic fields and field reversal factor delta (= delta B/sub ring on axis/B/sub 0/) reveal three characteristic anomalous features in the ring decay when quadrupole fields are applied: (1) critical field reversal levels of delta/sub A/ < delta/sub B/ separating; (2) regimes of steady state anomalous decay between and above these levels, and (3) sudden dumps of fast ring electrons immediately before delta/sub A/ and delta/sub B/. Normal classical ring decay caused by collisions of fast ring electrons with neutral background gas is observed when delta < delta/sub A/. As part of an extensive series of experiments, the scaling of the three anomalous features with gas pressure and quadrupole field strength is studied. Additional measurements of x-ray emissions from a radial tungsten limiter target show that the dump of delta/sub A/ is coincident with a highly localized dump of fast electrons onto the limiter. Rings subjected to hexapole field perturbations show qualitatively similar decay anomalies. To obtain an explanation of these losses, the resonant coupling of particle orbital degrees of freedom by the externally applied symmetry breaking Ioffe-multipole field perturbations is investigated theoretically. The conditions for orbital instability of particles moving in the magnetic field of the electron ring and external mirror-multipole coils are calculated analytically, generalizing the results of Cohen et al. to all multipole orders. Unstable orbits occur when particle orbital frequencies w/sub z/ w/sub r/, and w/sub theta/, obey a resonance condition Nw/sub z/ + Lw/sub r/ + Mw/sub theata/ = 0 for theoretically calculated harmonic numbers (N,L,M)
Fast Fourier and Wavelet Transforms for Wavefront Reconstruction in Adaptive Optics
Dowla, F U; Brase, J M; Olivier, S S
2000-07-28
Wavefront reconstruction techniques using the least-squares estimators are computationally quite expensive. We compare wavelet and Fourier transforms techniques in addressing the computation issues of wavefront reconstruction in adaptive optics. It is shown that because the Fourier approach is not simply a numerical approximation technique unlike the wavelet method, the Fourier approach might have advantages in terms of numerical accuracy. However, strictly from a numerical computations viewpoint, the wavelet approximation method might have advantage in terms of speed. To optimize the wavelet method, a statistical study might be necessary to use the best basis functions or ''approximation tree.''
Yang Zhiwei
2010-01-01
Full Text Available We propose a subspace-tracking-based space-time adaptive processing technique for airborne radar applications. By applying a modified approximated power iteration subspace tracing algorithm, the principal subspace in which the clutter-plus-interference reside is estimated. Therefore, the moving targets are detected by projecting the data on the minor subspace which is orthogonal to the principal subspace. The proposed approach overcomes the shortcomings of the existing methods and has satisfactory performance. Simulation results confirm that the performance improvement is achieved at very small secondary sample support, a feature that is particularly attractive for applications in heterogeneous environments.
Life in the Fast Lane: The Evolution of an Adaptive Vehicle Control System
Jochem, Todd; Pomerleau, Dean
1996-01-01
Giving robots the ability to operate in the real world has been, and continues to be, one of the most difficult tasks in AI research. Since 1987, researchers at Carnegie Mellon University have been investigating one such task. Their research has been focused on using adaptive, vision-based systems to increase the driving performance of the Navlab line of on-road mobile robots. This research has led to the development of a neural network system that can learn to drive on many road types simply...
Collaborative Software Development in Support of Fast Adaptive AeroSpace Tools (FAAST)
Kleb, William L.; Nielsen, Eric J.; Gnoffo, Peter A.; Park, Michael A.; Wood, William A.
2003-01-01
A collaborative software development approach is described. The software product is an adaptation of proven computational capabilities combined with new capabilities to form the Agency's next generation aerothermodynamic and aerodynamic analysis and design tools. To efficiently produce a cohesive, robust, and extensible software suite, the approach uses agile software development techniques; specifically, project retrospectives, the Scrum status meeting format, and a subset of Extreme Programming's coding practices are employed. Examples are provided which demonstrate the substantial benefits derived from employing these practices. Also included is a discussion of issues encountered when porting legacy Fortran 77 code to Fortran 95 and a Fortran 95 coding standard.
D. Madurasinghe
2009-01-01
Full Text Available The proposed technique allows the radar receiver to accurately estimate the range of a large number of targets using a transmitter of opportunity as long as the location of the transmitter is known. The technique does not depend on the use of communication satellites or GPS systems, instead it relies on the availability of the direct transmit copy of the signal from the transmitter and the reflected paths off the various targets. An array-based space-fast time adaptive processor is implemented in order to estimate the path difference between the direct signal and the delayed signal, which bounces off the target. This procedure allows us to estimate the target distance as well as bearing.
SIRT1 Gain of Function Does Not Mimic or Enhance the Adaptations to Intermittent Fasting
Marie Boutant
2016-03-01
Full Text Available Caloric restriction (CR has been shown to prevent the onset of insulin resistance and to delay age-related physiological decline in mammalian organisms. SIRT1, a NAD+-dependent deacetylase enzyme, has been suggested to mediate the adaptive responses to CR, leading to the speculation that SIRT1 activation could be therapeutically used as a CR-mimetic strategy. Here, we used a mouse model of moderate SIRT1 overexpression to test whether SIRT1 gain of function could mimic or boost the metabolic benefits induced by every-other-day feeding (EODF. Our results indicate that SIRT1 transgenesis does not affect the ability of EODF to decrease adiposity and improve insulin sensitivity. Transcriptomic analyses revealed that SIRT1 transgenesis and EODF promote very distinct adaptations in individual tissues, some of which can be even be metabolically opposite, as in brown adipose tissue. Therefore, whereas SIRT1 overexpression and CR both improve glucose metabolism and insulin sensitivity, the etiologies of these benefits are largely different.
SIRT1 Gain of Function Does Not Mimic or Enhance the Adaptations to Intermittent Fasting.
Boutant, Marie; Kulkarni, Sameer S; Joffraud, Magali; Raymond, Frédéric; Métairon, Sylviane; Descombes, Patrick; Cantó, Carles
2016-03-01
Caloric restriction (CR) has been shown to prevent the onset of insulin resistance and to delay age-related physiological decline in mammalian organisms. SIRT1, a NAD(+)-dependent deacetylase enzyme, has been suggested to mediate the adaptive responses to CR, leading to the speculation that SIRT1 activation could be therapeutically used as a CR-mimetic strategy. Here, we used a mouse model of moderate SIRT1 overexpression to test whether SIRT1 gain of function could mimic or boost the metabolic benefits induced by every-other-day feeding (EODF). Our results indicate that SIRT1 transgenesis does not affect the ability of EODF to decrease adiposity and improve insulin sensitivity. Transcriptomic analyses revealed that SIRT1 transgenesis and EODF promote very distinct adaptations in individual tissues, some of which can be even be metabolically opposite, as in brown adipose tissue. Therefore, whereas SIRT1 overexpression and CR both improve glucose metabolism and insulin sensitivity, the etiologies of these benefits are largely different. PMID:26923584
GPU-based ultra-fast direct aperture optimization for online adaptive radiation therapy
Men, Chunhua; Jiang, Steve B
2010-01-01
Online adaptive radiation therapy (ART) has great promise to significantly reduce normal tissue toxicity and/or improve tumor control through real-time treatment adaptations based on the current patient anatomy. However, the major technical obstacle for clinical realization of online ART, namely the inability to achieve real-time efficiency in treatment re-planning, has yet to be solved. To overcome this challenge, this paper presents our work on the implementation of an intensity modulated radiation therapy (IMRT) direct aperture optimization (DAO) algorithm on graphics processing unit (GPU) based on our previous work on CPU. We formulate the DAO problem as a large-scale convex programming problem, and use an exact method called column generation approach to deal with its extremely large dimensionality on GPU. Five 9-field prostate and five 5-field head-and-neck IMRT clinical cases with 5\\times5 mm2 beamlet size and 2.5\\times2.5\\times2.5 mm3 voxel size were used to evaluate our algorithm on GPU. It takes onl...
Electric multipole plasmons in deformed sodium clusters
Kleinig, W; Reinhard, P G
2001-01-01
The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and residual interaction are derived self-consistently from the Kohn-Sham functional. SRPA drastically simplifies the computational effort which is urgent if not decisive for deformed systems. The method is applied to the description of dipole, quadrupole and octupole plasmons in deformed sodium clusters of a moderate size. We demonstrate that, in clusters with the size N>50, Landau damping successfully competes with deformation splitting and even becomes decisive in forming the width and gross structure of the dipole plasmon. Besides, the plasmon is generated by excitations from both ground state and shape isomers. In such clusters familiar experimental estimates for deformation splitting of dipole plasmon are useless.
Characterization of Multipole Microwave Cavity Filters
Reinhold, Philip; Schuster, David; Bishop, Lev S.
2013-03-01
An essential requirement for a quantum information processor is the ability to controllably couple and decouple individual qubits with each other. With superconducting circuit QED, this can be implemented by coupling multiple qubits to a transmission line cavity bus, and can be controlled by moving the qubit frequencies in and out of resonance with the bus. As coherence times increase, and the number of qubits attached to a bus grows larger, the problem of spurious coupling while detuned will become more important. We propose using principles from microwave filter design to create new couplers with higher contrast ratios in the effective qubit-qubit coupling. We present progress towards circuit implementations of multipole qubit coupling architectures.
Multipole strength distribution in 112Cd
Low-lying excited states of 112Cd have been investigated by means of the inelastic scattering of 30.7 and 60.0 MeV protons with an overall energy resolution of approximately 3x10-4. Most of the known levels, and several others observed for the first time, appear well resolved in final spectra up to about 4 MeV excitation energy. Spin assignments are proposed by comparing measured angular distributions with coupled-channels calculations. A large fragmentation of the hexadecapole strength is found. This is in contrast with the behaviour of the quadrupole and octupole strengths which are mostly concentrated in the first 2+ and 3- levels, respectively. The deduced multipole transition strengths are compared with the predictions of the interacting boson model in the sd, sdf, and sdg boson schemes. (orig.)
Structural phase transitions in multipole traps
Marciante, Mathieu; Calisti, Annette; Knoop, Martina
2012-01-01
A small number of laser-cooled ions trapped in a linear radiofrequency multipole trap forms a hollow tube structure. We have studied, by means of molecular dynamics simulations, the structural transition from a double ring to a single ring of ions. We show that the single-ring configuration has the advantage to inhibit the thermal transfer from the rf-excited radial components of the motion to the axial component, allowing to reach the Doppler limit temperature along the direction of the trap axis. Once cooled in this particular configuration, the ions experience an angular dependency of the confinement if the local adiabaticity parameter exceeds the empirical limit. Bunching of the ion structures can then be observed and an analytic expression is proposed to take into account for this behaviour.
Stability of multipole-mode solitons in thermal nonlinear media
We study the stability of multipole-mode solitons in one-dimensional thermal nonlinear media. We show how the sample geometry impacts the stability of multipole-mode solitons and reveals that the tripole and quadrupole can be made stable in their whole domain of existence, provided that the sample width exceeds a critical value. In spite of such geometry-dependent soliton stability, we find that the maximal number of peaks in stable multipole-mode solitons in thermal media is the same as that in nonlinear materials with finite-range nonlocality.
Fast and intuitive programming of adaptive laser cutting of lace enabled by machine vision
Vaamonde, Iago; Souto-López, Álvaro; García-Díaz, Antón
2015-07-01
A machine vision system has been developed, validated, and integrated in a commercial laser robot cell. It permits an offline graphical programming of laser cutting of lace. The user interface allows loading CAD designs and aligning them with images of lace pieces. Different thread widths are discriminated to generate proper cutting program templates. During online operation, the system aligns CAD models of pieces and lace images, pre-checks quality of lace cuts and adapts laser parameters to thread widths. For pieces detected with the required quality, the program template is adjusted by transforming the coordinates of every trajectory point. A low-cost lace feeding system was also developed for demonstration of full process automation.
Stability of point-vortex multipoles revisited
Kizner, Ziv
2011-06-01
The point-vortex tripoles and pentapoles with zero total circulation are considered in the rigid-lid barotropic, equivalent-barotropic, and quasigeostrophic two-layer models. A tripole is assembled by three symmetrically arranged collinear vortices, while a pentapole by five vortices, of which one is located at the center of a square and four in the vertices of the square. The vortices on the sides, termed satellite vortices, are equal in strength and opposite in sign to the central vortex. To fulfill the zero-total-circulation condition, the central vortex is taken to be twice as strong as each of the satellite vortices in a tripole and four times as strong in a pentapole. In the two-layer model, two cases are distinguished, namely, the flat multipoles whose vortices are all located in the same layer and the carousel multipoles whose central vortex and satellite vortices reside in different layers. In all the models, the tripoles are shown to be nonlinearly stable and pentapoles, generally, unstable. Carousel pentapoles comparable in their size with the Rossby radius, and smaller, are exceptional in that they are stable to centrally symmetric perturbations (and, presumably, to arbitrary perturbations). The simple proof of the tripole stability is based on the fact that among the possible three-vortex configurations with zero total circulation characterized by the same (fixed) value of the Hamiltonian, there exists only one tripole, and, within the iso-Hamiltonian sheet, the squared linear momentum vanishes at this unique tripole only. This approach, being in essence universal for all models, works only with tripoles. For instance, a quadrupole cannot be treated in such a way, because there is a continuum of configurations of four vortices with zero total circulation on which the squared impulse vanishes. Dealing with pentapoles, we consider the perturbations that do not violate the central symmetry of the vortex configuration, fix the angular momentum, and examine
Xue, Xiaoming; Zhou, Jianzhong; Xu, Yanhe; Zhu, Wenlong; Li, Chaoshun
2015-10-01
Ensemble empirical mode decomposition (EEMD) represents a significant improvement over the original empirical mode decomposition (EMD) method for eliminating the mode mixing problem. However, the added white noises generate some tough problems including the high computational cost, the determination of the two critical parameters (the amplitude of the added white noise and the number of ensemble trials), and the contamination of the residue noise in the signal reconstruction. To solve these problems, an adaptively fast EEMD (AFEEMD) method combined with complementary EEMD (CEEMD) is proposed in this paper. In the proposed method, the two critical parameters are respectively fixed as 0.01 times standard deviation of the original signal and two ensemble trials. Instead, the upper frequency limit of the added white noise is the key parameter which needs to be prescribed beforehand. Unlike the original EEMD method, only two high-frequency white noises are added to the signal to be investigated with anti-phase in AFEEMD. Furthermore, an index termed relative root-mean-square error is employed for the adaptive selection of the proper upper frequency limit of the added white noises. Simulation test and vibration signals based fault diagnosis of rolling element bearing under different fault types are utilized to demonstrate the feasibility and effectiveness of the proposed method. The analysis results indicate that the AFEEMD method represents a sound improvement over the original EEMD method, and has strong practicability.
A fast, accurate and stable optimization algorithm is very important for inverse planning of intensity-modulated radiation therapy (IMRT), and for implementing dose-adaptive radiotherapy in the future. Conventional numerical search algorithms with positive beam weight constraints generally require numerous iterations and may produce suboptimal dose results due to trapping in local minima regions of the objective function landscape. A direct solution of the inverse problem using conventional quadratic objective functions without positive beam constraints is more efficient but it will result in unrealistic negative beam weights. We review here a direct solution of the inverse problem that is efficient and does not yield unphysical negative beam weights. In fast inverse dose optimization (FIDO) method the objective function for the optimization of a large number of beamlets is reformulated such that the optimization problem is reducible to a linear set of equations. The optimal set of intensities is then found through a matrix inversion, and negative beamlet intensities are avoided without the need for externally imposed ad hoc conditions. In its original version [S. P. Goldman, J. Z. Chen, and J. J. Battista, in Proceedings of the XIVth International Conference on the Use of Computers in Radiation Therapy, 2004, pp. 112-115; S. P. Goldman, J. Z. Chen, and J. J. Battista, Med. Phys. 32, 3007 (2005)], FIDO was tested on single two-dimensional computed tomography (CT) slices with sharp KERMA beams without scatter, in order to establish a proof of concept which demonstrated that FIDO could be a viable method for the optimization of cancer treatment plans. In this paper we introduce the latest advancements in FIDO that now include not only its application to three-dimensional volumes irradiated by beams with full scatter but include as well a complete implementation of clinical dose-volume constraints including maximum and minimum dose as well as equivalent uniform dose
Spherical spaces for cosmic topology and multipole selection rules
Kramer, Peter
2010-01-01
Spherical manifolds yield cosmic spaces with positive curvature. They result by closing pieces from the sphere used by Einstein for his initial cosmology. Harmonic analysis on the manifolds aims at explaining the observed low amplitudes at small multipole orders of the cosmic microwave background. We analyze assumptions of point symmetry and randomness for spherical spaces. There emerge four spaces named orbifolds, with low volume fraction from the sphere and sharp multipole selection rules i...
Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules
Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W.
2011-01-01
An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities ...
Searching the Force Field Electrostatic Multipole Parameter Space.
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. PMID:26925529
Park, Susanna B; Davare, Marco; Falla, Marika; Kennedy, William R; Selim, Mona M; Wendelschafer-Crabb, Gwen; Koltzenburg, Martin
2016-06-01
Sensory feedback from cutaneous mechanoreceptors in the fingertips is important in effective object manipulation, allowing appropriate scaling of grip and load forces during precision grip. However, the role of mechanoreceptor subtypes in these tasks remains incompletely understood. To address this issue, psychophysical tasks that may specifically assess function of type I fast-adapting (FAI) and slowly adapting (SAI) mechanoreceptors were used with object manipulation experiments to examine the regulation of grip force control in an experimental model of graded reduction in tactile sensitivity (healthy volunteers wearing 2 layers of latex gloves). With gloves, tactile sensitivity decreased significantly from 1.9 ± 0.4 to 12.3 ± 2.2 μm in the Bumps task assessing function of FAI afferents but not in a grating orientation task assessing SAI afferents (1.6 ± 0.1 to 1.8 ± 0.2 mm). Six axis force/torque sensors measured peak grip (PGF) and load (PLF) forces generated by the fingertips during a grip-lift task. With gloves there was a significant increase of PGF (14 ± 6%), PLF (17 ± 5%), and grip and load force rates (26 ± 8%, 20 ± 8%). A variable-weight series task was used to examine sensorimotor memory. There was a 20% increase in PGF when the lift of a light object was preceded by a heavy relative to a light object. This relationship was not significantly altered when lifting with gloves, suggesting that the addition of gloves did not change sensorimotor memory effects. We conclude that FAI fibers may be important for the online force scaling but not for the buildup of a sensorimotor memory. PMID:27052582
Bargatze, L. F.
2015-12-01
Active Data Archive Product Tracking (ADAPT) is a collection of software routines that permits one to generate XML metadata files to describe and register data products in support of the NASA Heliophysics Virtual Observatory VxO effort. ADAPT is also a philosophy. The ADAPT concept is to use any and all available metadata associated with scientific data to produce XML metadata descriptions in a consistent, uniform, and organized fashion to provide blanket access to the full complement of data stored on a targeted data server. In this poster, we present an application of ADAPT to describe all of the data products that are stored by using the Common Data File (CDF) format served out by the CDAWEB and SPDF data servers hosted at the NASA Goddard Space Flight Center. These data servers are the primary repositories for NASA Heliophysics data. For this purpose, the ADAPT routines have been used to generate data resource descriptions by using an XML schema named Space Physics Archive, Search, and Extract (SPASE). SPASE is the designated standard for documenting Heliophysics data products, as adopted by the Heliophysics Data and Model Consortium. The set of SPASE XML resource descriptions produced by ADAPT includes high-level descriptions of numerical data products, display data products, or catalogs and also includes low-level "Granule" descriptions. A SPASE Granule is effectively a universal access metadata resource; a Granule associates an individual data file (e.g. a CDF file) with a "parent" high-level data resource description, assigns a resource identifier to the file, and lists the corresponding assess URL(s). The CDAWEB and SPDF file systems were queried to provide the input required by the ADAPT software to create an initial set of SPASE metadata resource descriptions. Then, the CDAWEB and SPDF data repositories were queried subsequently on a nightly basis and the CDF file lists were checked for any changes such as the occurrence of new, modified, or deleted
Multipole matrix elements for 208Pb
New measurements of inelastic proton scattering to low-lying states of 208Pb at 200 and 400 MeV are reported. Deformation lengths extracted from angular distributions for the 3- (2.614 MeV), 51- (3.198 MeV), 52- (3.209 MeV), 2+ (4.086 MeV) and 4+ (4.324 MeV) states are in good accord with values extracted at other incident proton energies. The fact that the deformation lengths are independent of incident proton energy within experimental uncertainty provides support for the validity of the collective DWBA for medium energy proton scattering to strongly excited states. Advantage is taken of this to extract statistically more precise values of the ratio of neutron to proton multipole matrix elements (M/sub n//M/sub p/). Different methods of determining the appropriate average value of M/sub n//M/sub p/ are discussed. 3 refs., 1 tab
Exchange splitting of the interaction energy and the multipole expansion of the wave function
The exchange splitting J of the interaction energy of the hydrogen atom with a proton is calculated using the conventional surface-integral formula Jsurf[Φ], the volume-integral formula of the symmetry-adapted perturbation theory JSAPT[Φ], and a variational volume-integral formula Jvar[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 j0 in the large-R asymptotic series J(R) = 2e−R−1R(j0 + j1R−1 + j2R−2 + ⋯) converge with the rate corresponding to the convergence radii equal to 4, 2, and 1 when the Jvar[Φ], Jsurf[Φ], and JSAPT[Φ] formulas are used, respectively. Additionally, we observe that also the higher jk coefficients are predicted correctly when the multipole expansion is used in the Jvar[Φ] and Jsurf[Φ] formulas. The symmetry adapted perturbation theory formula JSAPT[Φ] predicts correctly only the first two coefficients, j0 and j1, gives a wrong value of j2, and diverges for higher jn. 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
Cardiac magnetic source imaging based on current multipole model
Tang Fa-Kuan; Wang Qian; Hua Ning; Lu Hong; Tang Xue-Zheng; Ma Ping
2011-01-01
It is widely accepted that the heart current source can be reduced into a current multipole. By adopting three linear inverse methods, the cardiac magnetic imaging is achieved in this article based on the current multipole model expanded to the first order terms. This magnetic imaging is realized in a reconstruction plane in the centre of human heart, where the current dipole array is employed to represent realistic cardiac current distribution. The current multipole as testing source generates magnetic fields in the measuring plane, serving as inputs of cardiac magnetic inverse problem. In the heart-torso model constructed by boundary element method, the current multipole magnetic field distribution is compared with that in the homogeneous infinite space, and also with the single current dipole magnetic field distribution.Then the minimum-norm least-squares (MNLS) method, the optimal weighted pseuDOInverse method (OWPIM), and the optimal constrained linear inverse method (OCLIM) are selected as the algorithms for inverse computation based on current multipole model innovatively, and the imaging effects of these three inverse methods are compared. Besides,two reconstructing parameters, residual and mean residual, are also discussed, and their trends under MNLS, OWPIM and OCLIM each as a function of SNR are obtained and compared.
HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections
Cornilescu, Gabriel, E-mail: gabrielc@nmrfam.wisc.edu; Bahrami, Arash; Tonelli, Marco; Markley, John L.; Eghbalnia, Hamid R. [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison (United States)], E-mail: eghbalni@nmrfam.wisc.edu
2007-08-15
We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, 'High-resolution Iterative Frequency Identification of Couplings' (HIFI-C) is an extension of the adaptive and intelligent data collection approach introduced earlier in HIFI-NMR. HIFI-C collects one or more optimally tilted two-dimensional (2D) planes of a 3D experiment, identifies peaks, and determines couplings with high resolution and precision. The HIFI-C approach, demonstrated here for the 3D quantitative J method, offers vital features that advance the goal of rapid and robust collection of NMR coupling data. (1) Tilted plane residual dipolar couplings (RDC) data are collected adaptively in order to offer an intelligent trade off between data collection time and accuracy. (2) Data from independent planes can provide a statistical measure of reliability for each measured coupling. (3) Fast data collection enables measurements in cases where sample stability is a limiting factor (for example in the presence of an orienting medium required for residual dipolar coupling measurements). (4) For samples that are stable, or in experiments involving relatively stronger couplings, robust data collection enables more reliable determinations of couplings in shorter time, particularly for larger biomolecules. As a proof of principle, we have applied the HIFI-C approach to the 3D quantitative J experiment to determine N-C' RDC values for three proteins ranging from 56 to 159 residues (including a homodimer with 111 residues in each subunit). A number of factors influence the robustness and speed of data collection. These factors include the size of the protein, the experimental set up, and the coupling being measured, among others. To exhibit a lower bound on robustness and the potential for time saving, the measurement of dipolar couplings for the N-C' vector
HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections.
Cornilescu, Gabriel; Bahrami, Arash; Tonelli, Marco; Markley, John L; Eghbalnia, Hamid R
2007-08-01
We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, "High-resolution Iterative Frequency Identification of Couplings" (HIFI-C) is an extension of the adaptive and intelligent data collection approach introduced earlier in HIFI-NMR. HIFI-C collects one or more optimally tilted two-dimensional (2D) planes of a 3D experiment, identifies peaks, and determines couplings with high resolution and precision. The HIFI-C approach, demonstrated here for the 3D quantitative J method, offers vital features that advance the goal of rapid and robust collection of NMR coupling data. (1) Tilted plane residual dipolar couplings (RDC) data are collected adaptively in order to offer an intelligent trade off between data collection time and accuracy. (2) Data from independent planes can provide a statistical measure of reliability for each measured coupling. (3) Fast data collection enables measurements in cases where sample stability is a limiting factor (for example in the presence of an orienting medium required for residual dipolar coupling measurements). (4) For samples that are stable, or in experiments involving relatively stronger couplings, robust data collection enables more reliable determinations of couplings in shorter time, particularly for larger biomolecules. As a proof of principle, we have applied the HIFI-C approach to the 3D quantitative J experiment to determine N-C' RDC values for three proteins ranging from 56 to 159 residues (including a homodimer with 111 residues in each subunit). A number of factors influence the robustness and speed of data collection. These factors include the size of the protein, the experimental set up, and the coupling being measured, among others. To exhibit a lower bound on robustness and the potential for time saving, the measurement of dipolar couplings for the N-C' vector represents a realistic
Purpose: Various studies have demonstrated that online adaptive radiotherapy by real-time re-optimization of the treatment plan can improve organs-at-risk (OARs) sparing in the abdominal region. Its clinical implementation, however, requires fast and accurate auto-segmentation of OARs in CT scans acquired just before each treatment fraction. Autosegmentation is particularly challenging in the abdominal region due to the frequently observed large deformations. We present a clinical validation of a new auto-segmentation method that uses fully automated non-rigid registration for propagating abdominal OAR contours from planning to daily treatment CT scans. Methods: OARs were manually contoured by an expert panel to obtain ground truth contours for repeat CT scans (3 per patient) of 10 patients. For the non-rigid alignment, we used a new non-rigid registration method that estimates the deformation field by optimizing local normalized correlation coefficient with smoothness regularization. This field was used to propagate planning contours to repeat CTs. To quantify the performance of the auto-segmentation, we compared the propagated and ground truth contours using two widely used metrics- Dice coefficient (Dc) and Hausdorff distance (Hd). The proposed method was benchmarked against translation and rigid alignment based auto-segmentation. Results: For all organs, the auto-segmentation performed better than the baseline (translation) with an average processing time of 15 s per fraction CT. The overall improvements ranged from 2% (heart) to 32% (pancreas) in Dc, and 27% (heart) to 62% (spinal cord) in Hd. For liver, kidneys, gall bladder, stomach, spinal cord and heart, Dc above 0.85 was achieved. Duodenum and pancreas were the most challenging organs with both showing relatively larger spreads and medians of 0.79 and 2.1 mm for Dc and Hd, respectively. Conclusion: Based on the achieved accuracy and computational time we conclude that the investigated auto
HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections
We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, 'High-resolution Iterative Frequency Identification of Couplings' (HIFI-C) is an extension of the adaptive and intelligent data collection approach introduced earlier in HIFI-NMR. HIFI-C collects one or more optimally tilted two-dimensional (2D) planes of a 3D experiment, identifies peaks, and determines couplings with high resolution and precision. The HIFI-C approach, demonstrated here for the 3D quantitative J method, offers vital features that advance the goal of rapid and robust collection of NMR coupling data. (1) Tilted plane residual dipolar couplings (RDC) data are collected adaptively in order to offer an intelligent trade off between data collection time and accuracy. (2) Data from independent planes can provide a statistical measure of reliability for each measured coupling. (3) Fast data collection enables measurements in cases where sample stability is a limiting factor (for example in the presence of an orienting medium required for residual dipolar coupling measurements). (4) For samples that are stable, or in experiments involving relatively stronger couplings, robust data collection enables more reliable determinations of couplings in shorter time, particularly for larger biomolecules. As a proof of principle, we have applied the HIFI-C approach to the 3D quantitative J experiment to determine N-C' RDC values for three proteins ranging from 56 to 159 residues (including a homodimer with 111 residues in each subunit). A number of factors influence the robustness and speed of data collection. These factors include the size of the protein, the experimental set up, and the coupling being measured, among others. To exhibit a lower bound on robustness and the potential for time saving, the measurement of dipolar couplings for the N-C' vector represents a realistic
Gupta, V; Wang, Y; Romero, A; Heijmen, B; Hoogeman, M [Erasmus MC Cancer Institute, Rotterdam (Netherlands); Myronenko, A; Jordan, P [Accuray Incorporated, Sunnyvale, United States. (United States)
2014-06-01
Purpose: Various studies have demonstrated that online adaptive radiotherapy by real-time re-optimization of the treatment plan can improve organs-at-risk (OARs) sparing in the abdominal region. Its clinical implementation, however, requires fast and accurate auto-segmentation of OARs in CT scans acquired just before each treatment fraction. Autosegmentation is particularly challenging in the abdominal region due to the frequently observed large deformations. We present a clinical validation of a new auto-segmentation method that uses fully automated non-rigid registration for propagating abdominal OAR contours from planning to daily treatment CT scans. Methods: OARs were manually contoured by an expert panel to obtain ground truth contours for repeat CT scans (3 per patient) of 10 patients. For the non-rigid alignment, we used a new non-rigid registration method that estimates the deformation field by optimizing local normalized correlation coefficient with smoothness regularization. This field was used to propagate planning contours to repeat CTs. To quantify the performance of the auto-segmentation, we compared the propagated and ground truth contours using two widely used metrics- Dice coefficient (Dc) and Hausdorff distance (Hd). The proposed method was benchmarked against translation and rigid alignment based auto-segmentation. Results: For all organs, the auto-segmentation performed better than the baseline (translation) with an average processing time of 15 s per fraction CT. The overall improvements ranged from 2% (heart) to 32% (pancreas) in Dc, and 27% (heart) to 62% (spinal cord) in Hd. For liver, kidneys, gall bladder, stomach, spinal cord and heart, Dc above 0.85 was achieved. Duodenum and pancreas were the most challenging organs with both showing relatively larger spreads and medians of 0.79 and 2.1 mm for Dc and Hd, respectively. Conclusion: Based on the achieved accuracy and computational time we conclude that the investigated auto
Objective: There is substantial debate regarding the appropriate protocol for ventilatory management in fast-track cardiac anesthesia (FTCA). This study was carried out to assess and compare the risks and benefits of respiratory weaning based on adaptive support ventilation (ASV) and synchronized intermittent mandatory ventilation (SIMV) after uncomplicated cardiac surgery. Methodology: In a randomized clinical trial, after receiving approval of the Department Research Committee and informed consent from study subjects, 100 patients undergoing elective coronary artery bypass graft (CABG) surgery with cardiopulmonary bypass (CPB) were enrolled during a 4-month period at a university-based hospital. After surgery and admission to the intensive care unit (ICU), patients were randomized to ASV and SIMV groups. Arterial blood gas (ABG) and hemodynamic variables, respiratory and ventilator characteristics including lung compliance, rapid shallow breathing index (RSBI), tidal volume (TV), respiratory rate (RR), peak inspiratory pressure (P peak), mean airway pressure (p mean), Pao2/FIo2, duration of mechanical ventilation and tracheal intubation, and length of ICU stay were recorded and compared between the two groups. The data were analyzed in 82 patients after considering the exclusion criteria. Results: There were no differences between ASV and SIMV groups in demographics and preoperative characteristics. The duration of tracheal intubation and the length of ICU stay were similar in both groups. There were no statistically and clinically relevant differences between the two groups in ABG, hemodynamic changes, and respiratory and ventilator characteristics during ICU stay. Conclusion: Although ASV may facilitate postoperative respiratory management in FTCA, both ASV and SIMV provide similarly safe and practicable respiratory weaning in the cardiac ICU. The evaluation of potential advantages in patient outcomes and resource utilization of respiratory weaning based on ASV
Beam injection with pulsed multipole magnet at UVSOR-III
Yamamoto, N., E-mail: naoto@nagoya-u.jp [Synchrotron Radiation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aich 464-8603 (Japan); Zen, H. [Institute of Advanced Energy, Kyoto University, Gokasho, Uji, Kyoto 611-0011 (Japan); Hosaka, M. [Synchrotron Radiation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aich 464-8603 (Japan); Konomi, T. [UVSOR, Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan); Adachi, M. [High Energy Accelerator Research Organization, KEK 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Hayashi, K.; Yamazaki, J. [UVSOR, Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan); Takashima, Y. [Synchrotron Radiation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aich 464-8603 (Japan); Katoh, M. [UVSOR, Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585 (Japan)
2014-12-11
In this study, we designed and manufactured a pulsed multipole magnet for beam injection into the UVSOR-III ring. A sextupole-like magnetic field could be excited when using the multipole magnet. To compensate for the residual field at the center of the magnet caused by manufacturing imprecisions, thin ferrite sheets were used. The injection experiments at UVSOR-III demonstrated multi-turn injections with the pulsed multipole magnet. The injection efficiency was 23% and the electron beam was stored up to the normal operation current of 300 mA. Moreover, we confirmed that oscillations of stored beams caused by beam injection were drastically suppressed compared with conventional pulsed dipole injection.
Multipole expansions in four-dimensional hyperspherical harmonics
The technique of vector differentiation is applied to the problem of the derivation of multipole expansions in four-dimensional space. Explicit expressions for the multipole expansion of the function rnCj(r-circumflex) with r = r1 + r2 are given in terms of tensor products of two hyperspherical harmonics depending on the unit vectors r-circumflex1 and r-circumflex2. The multipole decomposition of the function (r1 . r2)n is also derived. The proposed method can be easily generalized to the case of the space with dimensionality larger than four. Several explicit expressions for the four-dimensional Clebsch-Gordan coefficients with particular values of parameters are presented in the closed form
Reply to comment on 'On the origin dependence of multipole moments in electromagnetism'
De Visschere, Patrick
2010-01-01
In this reply, we emphasize that the goal of our original paper was to show that a straightforward application of standard multipole theory does not lead to unphysical results as claimed by Raab and de Lange. We stress once more that an origin shift for calculating the multipoles must be accompanied by a relocation of these multipoles, which compensates the effects of the origin dependence of the multipoles. We point out that the position of the macroscopic boundary is a relevant parameter. W...
Numerical simulation of Electron Energy Loss Spectroscopy using a Generalized Multipole Technique
Kiewidt, Lars [Foundation Institute of Materials Science (IWT), Department of Production Engineering, University of Bremen, Badgasteiner Str. 3, 28359 Bremen (Germany); Karamehmedović, Mirza, E-mail: mirza@iwt.uni-bremen.de [Foundation Institute of Materials Science (IWT), Department of Production Engineering, University of Bremen, Badgasteiner Str. 3, 28359 Bremen (Germany); Matyssek, Christian [Humboldt Universität zu Berlin, AG Theoretische Optik and Photonik, Newtonstr. 15, 12489 Berlin (Germany); Hergert, Wolfram [Martin Luther University Halle, Institute of Physics, Theory Group, von-Seckendorff-Platz 1, 06120 Halle (Germany); Mädler, Lutz [Foundation Institute of Materials Science (IWT), Department of Production Engineering, University of Bremen, Badgasteiner Str. 3, 28359 Bremen (Germany); Institut für Werkstofftechnik, Badgasteiner Str. 3, 28359 Bremen (Germany); Wriedt, Thomas [Institut für Werkstofftechnik, Badgasteiner Str. 3, 28359 Bremen (Germany)
2013-10-15
We numerically simulate low-loss Electron Energy Loss Spectroscopy (EELS) of isolated spheroidal nanoparticles, using an electromagnetic model based on a Generalized Multipole Technique (GMT). The GMT is fast and accurate, and, in principle, flexible regarding nanoparticle shape and the incident electron beam. The implemented method is validated against reference analytical and numerical methods for plane-wave scattering by spherical and spheroidal nanoparticles. Also, simulated electron energy loss (EEL) spectra of spherical and spheroidal nanoparticles are compared to available analytical and numerical solutions. An EEL spectrum is predicted numerically for a prolate spheroidal aluminum nanoparticle. The presented method is the basis for a powerful tool for the computation, analysis and interpretation of EEL spectra of general geometric configurations. - Highlights: • We simulate Electron Energy Loss Spectroscopy using a Generalized Multipole Technique. • We achieve good correspondence with reference methods for spherical nanoparticles. • The presented method is a basis for the computation and interpretation of Electron Energy Loss spectra of general geometric configurations.
A genetic algorithm for optimizing multi-pole Debye models of tissue dielectric properties
Models of tissue dielectric properties (permittivity and conductivity) enable the interactions of tissues and electromagnetic fields to be simulated, which has many useful applications in microwave imaging, radio propagation, and non-ionizing radiation dosimetry. Parametric formulae are available, based on a multi-pole model of tissue dispersions, but although they give the dielectric properties over a wide frequency range, they do not convert easily to the time domain. An alternative is the multi-pole Debye model which works well in both time and frequency domains. Genetic algorithms are an evolutionary approach to optimization, and we found that this technique was effective at finding the best values of the multi-Debye parameters. Our genetic algorithm optimized these parameters to fit to either a Cole–Cole model or to measured data, and worked well over wide or narrow frequency ranges. Over 10 Hz–10 GHz the best fits for muscle, fat or bone were each found for ten dispersions or poles in the multi-Debye model. The genetic algorithm is a fast and effective method of developing tissue models that compares favourably with alternatives such as the rational polynomial fit. (paper)
Numerical simulation of Electron Energy Loss Spectroscopy using a Generalized Multipole Technique
We numerically simulate low-loss Electron Energy Loss Spectroscopy (EELS) of isolated spheroidal nanoparticles, using an electromagnetic model based on a Generalized Multipole Technique (GMT). The GMT is fast and accurate, and, in principle, flexible regarding nanoparticle shape and the incident electron beam. The implemented method is validated against reference analytical and numerical methods for plane-wave scattering by spherical and spheroidal nanoparticles. Also, simulated electron energy loss (EEL) spectra of spherical and spheroidal nanoparticles are compared to available analytical and numerical solutions. An EEL spectrum is predicted numerically for a prolate spheroidal aluminum nanoparticle. The presented method is the basis for a powerful tool for the computation, analysis and interpretation of EEL spectra of general geometric configurations. - Highlights: • We simulate Electron Energy Loss Spectroscopy using a Generalized Multipole Technique. • We achieve good correspondence with reference methods for spherical nanoparticles. • The presented method is a basis for the computation and interpretation of Electron Energy Loss spectra of general geometric configurations
Stability of Multipole-mode Solitons in Thermal Nonlinear Media
Dong, Liangwei; Ye, Fangwei
2010-01-01
We study the stability of multipole-mode solitons in one-dimensional thermal nonlinear media. We show how the sample geometry impacts the stability of mutlipole-mode solitons and reveal that the tripole and quadrupole can be made stable in their whole domain of existence, provided that the sample width exceeds a critical value. In spite of such geometry-dependent soliton stability, we find that the maximal number of peaks in stable multipole-mode solitons in thermal media is the same as that ...
Multipole effects to the opacity of hot dense gold plasma
ZENG Lei; JIN Feng-tao; YUAN Jian-min
2006-01-01
The contributions of the multipole transitions to the opacity of hot dense gold plasma are taken into account by using an average-atom model.The influences of the E2,E3 and E4 transitions on the Rosseland opacity are studied,respectively.Comparisons with Miao's calculation have been made.It shows that using the Taylor series to account for the multipole transitions is no longer valid since ik.r is not much smaller than the unit when the photon energy goes very high.
Multipole matrix elements for Coulomb excitation of rotation aligned brand in 164Er
The possibility of exciting high spin states of the rotation-aligned band is studied. A microscopic model has been employed to estimate large l multipole matrix elements for transitions to high spin states. Possible multipole Coulomb excitation paths are given. Large l multipole transitions to high spin states by inelastic proton scattering are studied. (author). 19 refs., 4 figs
Exchange splitting of the interaction energy and the multipole expansion of the wave function
Gniewek, Piotr
2015-01-01
The exchange splitting $J$ of the interaction energy of the hydrogen atom with a proton is calculated using the conventional surface-integral formula $J_{\\textrm{surf}}[\\varphi]$, the volume-integral formula of the symmetry-adapted perturbation theory $J_{\\textrm{SAPT}}[\\varphi]$, and a variational volume-integral formula $J_{\\textrm{var}}[\\varphi]$. The calculations are based on the multipole expansion of the wave function $\\varphi$, which is divergent for any internuclear distance $R$. Nevertheless, the resulting approximations to the leading coefficient $j_0$ in the large-$R$ asymptotic series $J(R) = 2 e^{-R-1} R ( j_0 + j_1 R^{-1} + j_2 R^{-2} +\\cdots ) $ converge, with the rate corresponding to the convergence radii equal to 4, 2, and 1 when the $J_{\\textrm{var}}[\\varphi]$, $J_{\\textrm{surf}}[\\varphi]$, and $J_{\\textrm{SAPT}}[\\varphi]$ formulas are used, respectively. Additionally, we observe that also the higher $j_k$ coefficients are predicted correctly when the multipole expansion is used in the $J_{...
Mohr, Stephan; Genovese, Luigi; Ratcliff, Laura; Masella, Michel
The quantum mechanics/molecular mechanis (QM/MM) method is a popular approach that allows to perform atomistic simulations using different levels of accuracy. Since only the essential part of the simulation domain is treated using a highly precise (but also expensive) QM method, whereas the remaining parts are handled using a less accurate level of theory, this approach allows to considerably extend the total system size that can be simulated without a notable loss of accuracy. In order to couple the QM and MM regions we use an approximation of the electrostatic potential based on a multipole expansion. The multipoles of the QM region are determined based on the results of a linear scaling Density Functional Theory (DFT) calculation using a set of adaptive, localized basis functions, as implemented within the BigDFT software package. As this determination comes at virtually no extra cost compared to the QM calculation, the coupling between QM and MM region can be done very efficiently. In this presentation I will demonstrate the accuracy of both the linear scaling DFT approach itself as well as of the approximation of the electrostatic potential based on the multipole expansion, and show some first QM/MM applications using the aforementioned approach.
Kinnunen, Sanni; Mänttäri, Satu; Herzig, Karl-Heinz; Nieminen, Petteri; Mustonen, Anne-Mari; Saarela, Seppo
2016-02-01
The raccoon dog (Nyctereutes procyonoides) is a canid with autumnal fattening and passive wintering strategy. We examined the effects of wintertime fasting and seasonality on AMP-activated protein kinase (AMPK), a regulator of metabolism, and its target, acetyl-CoA carboxylase (ACC) on the species. Twelve farmed raccoon dogs (eleven females/one male) were divided into two groups: half were fasted for ten weeks in December-March (winter fasted) and the others were fed ad libitum (winter fed). A third group (autumn fed, eight females) was fed ad libitum and sampled in December. Total AMPK, ACC and their phosphorylated forms (pAMPK, pACC) were measured from hypothalamus, liver, intra-abdominal (iWAT) and subcutaneous white adipose tissues (sWAT). The fasted animals lost 32% and the fed 20% of their body mass. Hypothalamic AMPK expression was lower and pACC levels higher in the winter groups compared to the autumn fed group. Liver pAMPK was lower in the winter fasted group, with consistently decreased ACC and pACC. AMPK and pAMPK were down-regulated in sWAT and iWAT of both winter groups, with a parallel decline in pACC in sWAT. The responses of AMPK and ACC to fasting were dissimilar to the effects observed previously in non-seasonal mammals and hibernators. Differences between the winter fed and autumn fed groups indicate that the functions of AMPK and ACC could be regulated in a season-dependent manner. Furthermore, the distinctive effects of prolonged fasting and seasonal adaptation on AMPK-ACC pathway could contribute to the wintering strategy of the raccoon dog. PMID:26603554
Multipole analyses and photo-decay couplings at intermediate energies
The authors describe the results of several multipole analyses of pion-photoproduction data to 2 GeV in the lab photon energy. Comparisons are made with previous analyses. The photo-decay couplings for the delta are examined in detail. Problems in the representation of photoproduction data are discussed, with an emphasis on the recent LEGS data. 16 refs., 4 tabs
Nonrelativistic atom-photon interaction beyond the multipole approximation
Boers, D.J.; Wijers, C.M.J.
2003-01-01
We investigate the interaction between the hydrogen atomic orbitals and the quantized modes of the electromagnetic field within the domain of nonrelativistic quantum electrodynamics in the Coulomb gauge. Contrary to the conventional dipole approximation and higher-order multipole approximations, whi
Concept of multipole magnetic ﬁeld rotation in ECRIS
M H Rashid; R K Bhandari
2002-11-01
The conventional type of magnetic well is formed by superposition of two types of magnetic ﬁeld, axial bumpy ﬁeld and radial multipole ﬁeld. It is used to contain plasma that consists of neutrals, ions and electrons. These particles are in constant motion in the well and energetic electrons create plasma by violent collisions with neutrals and ions. The conﬁned electrons are constantly heated by ECR technique in the presence of magnetic ﬁeld. In this paper it has been shown theoretically that how the electron motion is inﬂuenced in terms of heating, containment and azimuthal uniformity of plasma, by the axial rotation of the multipole magnetic ﬁeld [1,2]. Afterwards, the feasibility of achieving a rotating magnetic multipole ﬁeld is discussed to some extent. And it is seen that it is not beyond the capability of the scientiﬁc community in the present scenario of the advanced technology. Presently, it can be achieved for lesser ﬁeld and slightly larger size of the multipole electromagnet and can be used for improvement of the ECR ion source (ECRIS).
Spiralling solitons and multipole localized modes in nonlocal nonlinear media
Buccoliero, Daniel; Lopez-Aguayo, Servando; Skupin, Stefan;
2007-01-01
We analyze the propagation of rotating multi-soliton localized structures in optical media with spatially nonlocal nonlinearity. We demonstrate that nonlocality stabilizes the azimuthal breakup of rotating dipole as well as multipole localized soliton modes. We compare the results for two differe...
Tune spread due to magnetic multipoles in RHIC
Analytical expressions have been obtained of the amplitude and momentum dependence of the transverse tunes due to magnetic multipoles and orbit misalignment. Based on these expressions, compensation methods are developed to minimize the tune spread in RHIC with the β* = lm design
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms.
S Nørby, Morten; Magnus Haugaard Olsen, Jógvan; Kongsted, Jacob; Aagard Jensen, Hans Jørgen
2016-07-01
Polarizable quantum mechanical (QM)/molecular mechanics (MM)-embedding methods are currently among the most promising methods for computationally feasible, yet reliable, production calculations of localized excitations and molecular response properties of large molecular complexes, such as proteins and RNA/DNA, and of molecules in solution. Our aim is to develop a computational methodology for distributed multipole moments and their associated multipole polarizabilities which is accurate, computationally efficient, and with smooth convergence with respect to multipole order. As the first step toward this goal, we herein investigate different ways of obtaining distributed atom-centered multipole moments that are used in the construction of the electrostatic part of the embedding potential. Our objective is methods that not only are accurate and computationally efficient, but which can be consistently extended with site polarizabilities including internal charge transfer terms. We present a new way of dealing with well-known problems in relation to the use of basis sets with diffuse functions in conventional atomic allocation algorithms, avoiding numerical integration schemes. Using this approach, we show that the classical embedding potential can be systematically improved, also when using basis sets with diffuse functions, and that very accurate embedding potentials suitable for QM/MM embedding calculations can be acquired. © 2016 Wiley Periodicals, Inc. PMID:27187063
Two-dimensional multipole solitons in nonlocal nonlinear media.
Rotschild, Carmel; Segev, Mordechai; Xu, Zhiyong; Kartashov, Yaroslav V; Torner, Lluis; Cohen, Oren
2006-11-15
We present the experimental observation of scalar multipole solitons in highly nonlocal nonlinear media, including dipole, tripole, quadrupole, and necklace-type solitons, organized as arrays of out-of-phase bright spots. These complex solitons are metastable, but with a large parameters range where the instability is weak, permitting their experimental observation. PMID:17072407
Linear-scaling multipole-accelerated Gaussian and finite-element Coulomb method
Watson, Mark A.; Kurashige, Yuki; Nakajima, Takahito; Hirao, Kimihiko
2008-02-01
A linear-scaling implementation of the Gaussian and finite-element Coulomb (GFC) method is presented for the rapid computation of the electronic Coulomb potential. The current work utilizes the fast multipole method (FMM) for the evaluation of the Poisson equation boundary condition. The FMM affords significant savings for small- and medium-sized systems and overcomes the bottleneck in the GFC method for very large systems. Compared to an exact analytical treatment of the boundary, more than 100-fold speedups are observed for systems with more than 1000 basis functions without any significant loss of accuracy. We present CPU times to demonstrate the effectiveness of the linear-scaling GFC method for both one-dimensional polyalanine chains and the challenging case of three-dimensional diamond fragments.
Chow, Brian Y.; Chuong, Amy S.; Klapoetke, Nathan C; Boyden, Edward S.
2011-01-01
The life and operation of cells involve many physiological processes that take place over fast timescales of milliseconds to minutes. Genetically-encoded technologies for driving or suppressing specific fast physiological processes in intact cells, perhaps embedded within intact tissues in living organisms, are critical for the ability to understand how these physiological processes contribute to emergent cellular and organismal functions and behaviors. Such “synthetic physiology” tools are o...
Exchange splitting of the interaction energy and the multipole expansion of the wave function
Gniewek, Piotr, E-mail: pgniewek@tiger.chem.uw.edu.pl; Jeziorski, Bogumił, E-mail: jeziorsk@chem.uw.edu.pl [Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)
2015-10-21
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 convergence 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.
Harmonic Decomposition of Orbit Data for Multipole Analysis
Yang Ming Jen
2005-01-01
The unprecedented position resolution provided by the newly commissioned Recycer BPM system is opening up a new chapter of beam based multipole analysis at Fermilab. The closed orbit data, taken with circulating beam and averaged over many consecutive turns, has been shown to have the resolution of a few microns. The result of polynomial fit to BPM position data, as a function of dipole kick sizes, is used to separate orbit data into first, second, and third order. Combining both the in-plane and cross-plane orbit data it is possible to determine the multipole content within each half cell. This paper presents the algorithm behind the procedure, the data collected from the Fermilab Recycler Ring, and the final analysis result.
Multipole moments of the generalized Quevedo-Mashhoon metric
Frutos-Alfaro, Francisco
2016-01-01
Among the known exact solutions of Einsteins vacuum field equations the generalized Quevedo-Mashhoon (QM) metric with parameters M, a and qn (n being an even integer) might be the most suitable one for the description of the exterior gravitational field of some real non-collapsed body. Originally this metric was derived by some Hoenselaers-Kinnersley-Xanthopoulos transformation with the Erez-Rosen metric as seed metric. We verified directly the validity of the corresponding Ernst equations by means of a REDUCE program. By means of the Fodor-Hoenselaers-Perjes formalism we computed the first ten mass and spin multipole moments of the QM metric that obviously have not been published before. Corresponding moments were derived for the static vacuum solutions of Gutsunaev-Manko and Hernandez-Martin. A direct comparison between the multipole moments of these non-isometric spacetimes is given.
IBIS: A hollow-cathode multipole boundary ion source
The plasma production and containment system for a high-power continuously operating magnetic multipole ion source has been designed and constructed. Preliminary tests on this system prior to high voltage extraction of large beams indicate advantageous performance for neutral-beam injection applications. The source has produced 80 A to the extractor region at 0.33 A/cm2 with a discharge of 330 A at 80 V. Density uniformity is better than 1% over a 16-cm diameter, dropping to -4% at 18 cm, with plasma noise of less than 3%. Gas utilizaion efficiency and atomic (H+) species output are anticipated to be high due to a source length of 40 cm. This quiet efficient performance is attributed to the use of a hollow-tube LaB6 cathode and an improved magnetic multipole confinement system
Fractal escapes in Newtonian and relativistic multipole gravitational fields
Servio de Moura, A P; Moura, Alessandro P. S. de; Letelier, Patricio S.
1999-01-01
We study the planar motion of test particles in gravitational fields produced by an external material halo, of the type found in many astrophysical systems, such as elliptical galaxies and globular clusters. Both the Newtonian and the general-relativistic dynamics are examined, and in the relativistic case the dynamics of both massive and massless particles are investigated. The halo field is given in general by a multipole expansion; we restrict ourselves to multipole fields of pure order, whose Newtonian potentials are homogeneous polynomials in cartesian coordinates. A pure (n)-pole field has (n) different escapes, one of which is chosen by the particle according to its initial conditions. We find that the escape has a fractal dependency on the initial conditions for (n>2) both in the Newtonian and the relativistic cases for massive test particles, but with important differences between them. The relativistic motion of massless particles, however, was found to be regular for all the fields we could study. ...
Design and optimization of multipole lens and Wien filter systems
The differential algebra (DA) method has been employed to compute the optical properties and aberrations up to the fifth order of multipole systems containing electrostatic and magnetic round, quadrupole, hexapole and octopole lenses, and Wien filters. A new software package has been developed, which computes the geometrical and chromatic aberrations up to the fifth order by using a single DA ray trace. It also has an optimization module where a weighted set of aberrations can be minimized by the automatic adjustment of a set of user-defined system variables. In this paper, we present our new method for designing and optimizing multipole systems including Wien filters, and illustrate its application with three relevant examples.
Determination of gross plasma equilibrium from magnetic multipoles
A new approximate technique to determine the gross plasma equilibrium parameters, major radius, minor radius, elongation and triangularity for an up-down symmetric plasma is developed. It is based on a multipole representation of the externally applied poloidal magnetic field, relating specific terms to the equilibrium parameters. The technique shows reasonable agreement with free boundary MHD equilibrium results. The method is useful in dynamic simulation and control studies
Neutron scattering by Dirac multipoles with application to cuprate superconductors
Lovesey, S. W.; Khalyavin, D. D.
2016-01-01
Ordered magnetic charge created by Dirac multipoles that are magnetic and polar is examined. It has previously been revealed in the pseudo-gap phase of high-Tc materials by use of the Kerr effect and magnetic neutron Bragg diffraction. The empirical revelations dent the credibility of existing theories of the pseudo-gap phase. There are several forms of the polar operator for magnetic neutron scattering built from spin and electric dipole operators of unpaired electrons. Construction of Dirac...
The multipole resonance probe: characterization of a prototype
Lapke, Martin; Oberrath, Jens; Brinkmann, Ralf Peter; Mussenbrock, Thomas [Lehrstuhl fuer Theoretische Elektrotechnik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Schulz, Christian; Rolfes, Ilona [Lehrstuhl fuer Hochfrequenzsysteme, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Storch, Robert; Musch, Thomas [Lehrstuhl fuer Elektronische Schaltungstechnik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Styrnoll, Tim; Awakowicz, Peter [Lehrstuhl fuer Allgemeine Elektrotechnik und Plasmatechnik, Ruhr Universitaet Bochum, D-44780 Bochum (Germany); Zietz, Christian [Institut fuer Hochfrequenztechnik und Funksysteme, Leibniz Universitaet Hannover, D-30167 Hannover (Germany)
2011-08-15
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. (brief communication)
Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum.
Schnieders, Michael J; Ponder, Jay W
2007-11-01
The generalized Born (GB) model of continuum electrostatics is an analytic approximation to the Poisson equation useful for predicting the electrostatic component of the solvation free energy for solutes ranging in size from small organic molecules to large macromolecular complexes. This work presents a new continuum electrostatics model based on Kirkwood's analytic result for the electrostatic component of the solvation free energy for a solute with arbitrary charge distribution. Unlike GB, which is limited to monopoles, our generalized Kirkwood (GK) model can treat solute electrostatics represented by any combination of permanent and induced atomic multipole moments of arbitrary degree. Here we apply the GK model to the newly developed Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field, which includes permanent atomic multipoles through the quadrupole and treats polarization via induced dipoles. A derivation of the GK gradient is presented, which enables energy minimization or molecular dynamics of an AMOEBA solute within a GK continuum. For a series of 55 proteins, GK electrostatic solvation free energies are compared to the Polarizable Multipole Poisson-Boltzmann (PMPB) model and yield a mean unsigned relative difference of 0.9%. Additionally, the reaction field of GK compares well to that of the PMPB model, as shown by a mean unsigned relative difference of 2.7% in predicting the total solvated dipole moment for each protein in this test set. The CPU time needed for GK relative to vacuum AMOEBA calculations is approximately a factor of 3, making it suitable for applications that require significant sampling of configuration space. PMID:26636202
Extension of the Multipole Approach to Random Metamaterials
A. Chipouline
2012-01-01
Full Text Available Influence of the short-range lateral disorder in the meta-atoms positioning on the effective parameters of the metamaterials is investigated theoretically using the multipole approach. Random variation of the near field quasi-static interaction between metaatoms in form of double wires is shown to be the reason for the effective permittivity and permeability changes. The obtained analytical results are compared with the known experimental ones.
Photodetachment of cold OH- in a multipole ion trap
Trippel, S.; Mikosch, J.; Berhane, R.; Otto, R; Weidemüller, M.; Wester, R.
2006-01-01
The absolute photodetachment cross section of OH- anions at a rotational and translational temperature of 170K is determined by measuring the detachment-induced decay rate of the anions in a multipole radio-frequency ion trap. In comparison with previous results, the obtained cross section shows the importance of the initial rotational state distribution. Using a tomography scan of the photodetachment laser through the trapped ion cloud, the derived cross section is model-independent and thus...
Windowed multipole sensitivity to target accuracy of the optimization procedure
This paper compares the accuracy of the windowed multipole direct Doppler broadening method to that of the ENDF-B/VII.1 libraries that come with MCNP6. Various windowed multipole libraries were generated with different maximum allowed relative errors. Then, the libraries were compared to the MCNP6 data via resonance integral and through single assembly Monte Carlo analysis. Since the windowed multipole uses resonance parameters, resonance integrals are only affected by the number of resonances included in the library and not by the order of the background fitting function. The relative performance of each library with varying maximum allowed error was evaluated. It was found that setting a maximum target relative error of 0.1% in the library provided highly accurate data that closely matches the MCNP6 data for all temperatures of interest, while still having suitable computational performance. Additionally, a library with a maximum relative error of 1% also provided reasonable accuracy on eigenvalue and reaction rates with a noticeable improvement on performance, but with a few statistically significant differences with the MCNP6 data. (author)
Multipole gas thruster design. Ph.D. Thesis
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.
Librado, Pablo; Der Sarkissian, Clio; Ermini, Luca;
2015-01-01
Yakutia, Sakha Republic, in the Siberian Far East, represents one of the coldest places on Earth, with winter record temperatures dropping below −70 °C. Nevertheless, Yakutian horses survive all year round in the open air due to striking phenotypic adaptations, including compact body conformations......, extremely hairy winter coats, and acute seasonal differences in metabolic activities. The evolutionary origins of Yakutian horses and the genetic basis of their adaptations remain, however, contentious. Here, we present the complete genomes of nine present-day Yakutian horses and two ancient specimens...
Cluster-Based Multipolling Sequencing Algorithm for Collecting RFID Data in Wireless LANs
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.
The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins
Shi, Yue; Xia, Zhen; Zhang, Jiajing; Best, Robert; Wu, Chuanjie; Ponder, Jay W.; Ren, Pengyu
2013-01-01
Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in various chemical and physical environments. The atomic multipole electrostatic parameters for each amino acid residue type are derived from high-level gas phase quantum mechanical calculations via...
A Finite Field Method for Calculating Molecular Polarizability Tensors for Arbitrary Multipole Rank
Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.
2011-01-01
A finite field method for calculating spherical tensor molecular polarizability tensors αlm;l′m′ = ∂Δlm/∂ϕl′m′* by numerical derivatives of induced molecular multipole Δlm with respect to gradients of electrostatic potential ϕl′m′* is described for arbitrary multipole ranks l and l′. Inter-conversion formulae for transforming multipole moments and polarizability tensors between spherical and traceless Cartesian tensor conventions are derived. As an example, molecular polarizability tensors up...
Mac-Phy Cross-Layer analysis and design of Mimo-Ofdm Wlans based on fast link adaptation
Martorell Lliteras, Gabriel
2013-01-01
The latestWLAN standard, known as IEEE 802.11n, has notably increased the network capacity with respect to its predecessors thanks to the incorporation of the multipleinput multiple-output (MIMO) technology. Nonetheless, the new amendment, as its previous ones, does not specify how crucial configuration mechanisms, most notably the adaptive modulation and coding (AMC) algorithm should be implemented. The AMC process has proved essential to fully exploit the system resources in ...
A fast and efficient algorithm to compute BPX- and overlapping preconditioner for adaptive 3D-FEM
Eibner, Tino
2008-01-01
In this paper we consider the well-known BPX-preconditioner in conjunction with adaptive FEM. We present an algorithm which enables us to compute the preconditioner with optimal complexity by a total of only O(DoF) additional memory. Furthermore, we show how to combine the BPX-preconditioner with an overlapping Additive-Schwarz-preconditioner to obtain a preconditioner for finite element spaces with arbitrary polynomial degree distributions. Numerical examples illustr...
Yuan, Wu-Jie; Zhou, Jian-Fang; Zhou, Changsong
2016-04-01
Microsaccades are very small eye movements during fixation. Experimentally, they have been found to play an important role in visual information processing. However, neural responses induced by microsaccades are not yet well understood and are rarely studied theoretically. Here we propose a network model with a cascading adaptation including both retinal adaptation and short-term depression (STD) at thalamocortical synapses. In the neural network model, we compare the microsaccade-induced neural responses in the presence of STD and those without STD. It is found that the cascading with STD can give rise to faster and sharper responses to microsaccades. Moreover, STD can enhance response effectiveness and sensitivity to microsaccadic spatiotemporal changes, suggesting improved detection of small eye movements (or moving visual objects). We also explore the mechanism of the response properties in the model. Our studies strongly indicate that STD plays an important role in neural responses to microsaccades. Our model considers simultaneously retinal adaptation and STD at thalamocortical synapses in the study of microsaccade-induced neural activity, and may be useful for further investigation of the functional roles of microsaccades in visual information processing.
The lag-phase during diauxic growth is a trade-off between fast adaptation and high growth rate
Chu, Dominique; Barnes, David J.
2016-04-01
Bi-phasic or diauxic growth is often observed when microbes are grown in a chemically defined medium containing two sugars (for example glucose and lactose). Typically, the two growth stages are separated by an often lengthy phase of arrested growth, the so-called lag-phase. Diauxic growth is usually interpreted as an adaptation to maximise population growth in multi-nutrient environments. However, the lag-phase implies a substantial loss of growth during the switch-over. It therefore remains unexplained why the lag-phase is adaptive. Here we show by means of a stochastic simulation model based on the bacterial PTS system that it is not possible to shorten the lag-phase without incurring a permanent growth-penalty. Mechanistically, this is due to the inherent and well established limitations of biological sensors to operate efficiently at a given resource cost. Hence, there is a trade-off between lost growth during the diauxic switch and the long-term growth potential of the cell. Using simulated evolution we predict that the lag-phase will evolve depending on the distribution of conditions experienced during adaptation. In environments where switching is less frequently required, the lag-phase will evolve to be longer whereas, in frequently changing environments, the lag-phase will evolve to be shorter.
K. Kadambavanam
2016-07-01
Full Text Available Fast Generalized Fuzzy c-means clustering algorithm (FGFCM and its variants are effective methods for image clustering. Even though the incorporation of local spatial information to the objective function reduces their sensitivity to noise to some extent, they are still lack behind in suppressing the effect of noise and outliers on the edges and tiny areas of input image. This article proposes an algorithm to mitigate the disadvantage of FGFCM and its variants and enhances the performance of clustering. The experiments on the synthetic and real images are presented, to exhibit the improvements in the image clustering due to the proposed algorithm.
Alemayehu, Fikadu Reta; Frenck, Georg; van der Linden, Leon;
2013-01-01
to environmental stress, we conducted a selection experiment over five plant generations (G0–G4) in three scenarios, where atmospheric [CO2] and temperature were increased as single factors and in combination. The treatments represented the expected environmental characteristics in Northern Europe around year 2075...... to environmental change needs to be explored in order to select the most productive genotypes. Presently, it is unknown whether cereal crops like spring barley can adapt to climate stressors over relatively few generations. To evaluate if strong selection pressures could change the performance of barley...
Takashi Uebanso
Full Text Available Fibroblast growth factor 21 (FGF21 has recently emerged as a metabolic hormone involved in regulating glucose and lipid metabolism in mouse, but the regulatory mechanisms and actions of FGF21 in humans remain unclear. Here we have investigated the regulatory mechanisms of the human FGF21 gene at the transcriptional level. A deletion study of the human FGF21 promoter (-1672 to +230 bp revealed two fasting signals, including peroxisome proliferator-activated receptor α (PPARα and glucagon signals, that independently induced human FGF21 gene transcription in mouse primary hepatocytes. In addition, two feeding signals, glucose and xylitol, also dose-dependently induced human FGF21 gene transcription and mRNA expression in both human HepG2 cells and mouse primary hepatocytes. FGF21 protein expression and secretion were also induced by high glucose stimulation. The human FGF21 promoter (-1672 to +230 bp was found to have a carbohydrate-responsive element at -380 to -366 bp, which is distinct from the PPAR response element (PPRE. Knock-down of the carbohydrate response element binding protein by RNAi diminished glucose-induced human FGF21 transcription. Moreover, we found that a region from -555 to -443 bp of the human FGF21 promoter region exerts an important role in the activation of basic transcription. In conclusion, human FGF21 gene expression is paradoxically and independently regulated by both fasting and feeding signals. These regulatory mechanisms suggest that human FGF21 is increased with nutritional crisis, including starvation and overfeeding.
Excitation and photon decay of giant multipole resonances
A brief review of the excitation of giant multipole resonances via Coulomb excitation is given which emphasizes the very large cross sections that can be realized through this reaction for both isoscalar and isovector resonances. Discussion and results where available, are provide for the measurement of the photon decay of one and two phonon giant resonances. It is pointed out throughout the presentation that the use of E1 photons as a ''tag'' provides a means to observe weakly excited resonances that cannot be observed in the singles spectra. 14 refs., 12 figs., 1 tab
Anomalies in the low CMB multipoles and extended foregrounds
Abramo, L. Raul; Sodre Jr., Laerte; Wuensche, Carlos Alexandre
2006-01-01
We discuss how an extended foreground of the cosmic microwave background (CMB) can account for the anomalies in the low multipoles of the CMB anisotropies. The distortion needed to account for the anomalies is consistent with a cold spot with the spatial geometry of the Local Supercluster (LSC) and a temperature quadrupole of order DeltaT_2^2 ~ 50 microK^2. If this hypothetic foreground is subtracted from the CMB data, the amplitude of the quadrupole (l=2) is substantially increased, and the ...
Experimental demonstration of a surface-electrode multipole ion trap
Maurice, Mark; Green, Dylan; Farr, Andrew; Burke, Timothy; Hilleke, Russell; Clark, Robert
2015-01-01
We report on the design and experimental characterization of a surface-electrode multipole ion trap. Individual microscopic sugar particles are confined in the trap. The trajectories of driven particle motion are compared with a theoretical model, both to verify qualitative predictions of the model, and to measure the charge-to-mass ratio of the confined particle. The generation of harmonics of the driving frequency is observed as a key signature of the nonlinear nature of the trap. We remark on possible applications of our traps, including to mass spectrometry.
New Multipole Method for 3-D Capacitance Extraction
Zhao-Zhi Yang; Ze-Yi Wang
2004-01-01
This paper describes an effcient improvement of the multipole accelerated boundary element method for 3-D capacitance extraction.The overall relations between the positions of 2-D boundary elements are considered instead of only the relations between the center-points of the elements,and a new method of cube partitioning is introduced.Numerical results are presented to demonstrate that the method is accurate and has nearly linear computational growth as O(n),where n is the number of panels/boundary elements.The proposed method is more accurate and much faster than Fastcap.
Super-Inflation, Non-Singular Bounce, and Low Multipoles
Biswas, Tirthabir
2013-01-01
In this paper we present a simple argument that shows a non-singular bouncing cosmology naturally yields an era of super-inflation which can precede the phase of normal potential driven inflation. One of the consequences of a super-inflation phase is that it might be able to account for suppressing the low multipole in the amplitude of the cosmic microwave background radiation. We are able to constrain the number of e-folds of super-inflation from the current Planck data to be roughly 3 e-folds in a model independent way.
Analytical expressions for fringe fields in multipole magnets
Muratori, B. D.; Jones, J. K.; Wolski, A.
2015-06-01
Fringe fields in multipole magnets can have a variety of effects on the linear and nonlinear dynamics of particles moving along an accelerator beam line. An accurate model of an accelerator must include realistic models of the magnet fringe fields. Fringe fields for dipoles are well understood and can be modeled at an early stage of accelerator design in such codes as mad8, madx, gpt or elegant. Existing techniques for quadrupole and higher order multipoles rely either on the use of a numerical field map, or on a description of the field in the form of a series expansion about a chosen axis. Usually, it is not until the later stages of a design project that such descriptions (based on magnet modeling or measurement) become available. Furthermore, series expansions rely on the assumption that the beam travels more or less on axis throughout the beam line; but in some types of machines (for example, Fixed Field Alternating Gradients or FFAGs) this is not a good assumption. Furthermore, some tracking codes, such as gpt, use methods for including space charge effects that require fields to vary smoothly and continuously along a beam line: in such cases, realistic fringe field models are of significant importance. In this paper, a method for constructing analytical expressions for multipole fringe fields is presented. Such expressions allow fringe field effects to be included in beam dynamics simulations from the start of an accelerator design project, even before detailed magnet design work has been undertaken. The magnetostatic Maxwell equations are solved analytically and a solution that fits all orders of multipoles is derived. Quadrupole fringe fields are considered in detail as these are the ones that give the strongest effects. The analytic expressions for quadrupole fringe fields are compared with data obtained from numerical modeling codes in two cases: a magnet in the high luminosity upgrade of the Large Hadron Collider inner triplet, and a magnet in the
Studies of giant multipole resonances with intermediate energy heavy ions
The role of intermediate energy heavy ions in the study of giant multipole resonances is explored, with emphasis on gamma decay coincidence experiments. Experiments on 208Pb bombarded by 22 MeV/nucleon and 84 MeV/nucleon 17O are discussed and compared. The role of Coulomb excitation in the 84 MeV/nucleon data is emphasized and some consequences for study of isovector resonance strength are explored. A comparison of the excitation and decay of the isovector giant dipole resonance in 208Pb and 209Bi excited with 84 MeV/nucleon 17O scattering is presented. 19 refs., 15 figs., 1 tab
Ideal Multipole Ion Traps from Planar Ring Electrodes
Clark, Robert J
2012-01-01
We present designs for multipole ion traps based on a set of planar, annular, concentric electrodes which require only rf potentials to confine ions. These traps have many desirable properties. Depending on one's choice of experimental parameters, we predict that mm-scale surface traps may have trap depths as high as tens of electron volts, or micromotion amplitudes in a 2-D ion crystal as low as tens of nanometers. Several example traps are studied, and the scaling of those properties with voltage, frequency, and trap scale, for small numbers of ions, is derived. Applications to quantum information science, frequency metrology, and cold ion-atom collisions are discussed.
Application of toroidal multipoles to facilitate tokamak reactor studies
A method of calculating the vacuum magnetic flux for plasma equilibrium over a range of aspect ratio A and major radius R is presented. Toroidal multipoles are used to fit the vacuum flux for a set of reference equilibria and the fitted moments are then used to parametrize the flux over the design space in A and R. An example is given in which the equilibrium flux for a D-shaped tokamak plasma is predicted and compared with the actual equilibrium code vacuum flux
The Formation of Multipoles during the High-Temperature Creep of Austenitic Stainless Steels
Howell, J.; Nielsson, O.; Horsewell, Andy;
1981-01-01
It is shown that multipole dislocation configurations can arise during power-law creep of certain austenitic stainless steels. These multipoles have been analysed in some detail for two particular steels (Alloy 800 and a modified AISI 316L) and it is suggested that they arise either during...
Ren, Xiang
2012-01-01
Transform Invariant Low-rank Textures (TILT) is a novel and powerful tool that can effectively rectify a rich class of low-rank textures in 3D scenes from 2D images despite significant deformation and corruption. The existing algorithm for solving TILT is based on the alternating direction method (ADM). It suffers from high computational cost and is not theoretically guaranteed to converge to a correct solution. In this paper, we propose a novel algorithm to speed up solving TILT, with guaranteed convergence. Our method is based on the recently proposed linearized alternating direction method with adaptive penalty (LADMAP). To further reduce computation, warm starts are also introduced to initialize the variables better and cut the cost on singular value decomposition. Extensive experimental results on both synthetic and real data demonstrate that this new algorithm works much more efficiently and robustly than the existing algorithm. It could be at least five times faster than the previous method.
基于自适应排列的快速图像加密算法%Fast Image Encryption Algorithm Based on Self-adaptive Permutation
刘梅
2009-01-01
现有自适应图像加密算法可以抵抗已知明文攻击,其单轮加密速度很快,但安全性和整体加密速度较低.基于自适应排列提出一种新的快速图像加密算法,在确保加密操作简单高效的前提下,改变加密前后图像的像素分布.实验结果表明,该算法性能优于其他同类算法.%Existing self-adaptive image encryption algorithm is resistant to known plaintext attacks and with high speed of single round eneryption, but its security and speed of whole round encryption is low. This paper proposes a new fast image encryption algorithm based on self-adaptive permutation. This algorithm insures the simpleness and high efficiency of encryption operation, and changes the pixel distribution of encrypted image compared with that of original image. Experimental results show that this algorithm has better performance than other kindred algorithms.
Highlights: • A novel hybrid method based on decomposition of SCUC into QP and BP problems is proposed. • An adapted binary programming and an enhanced dual neural network model are applied. • The proposed EDNN is exactly convergent to the global optimal solution of QP. • An AC power flow procedure is developed for including contingency/security issues. • It is suited for large-scale systems, providing both accurate and fast solutions. - Abstract: This paper presents a novel hybrid method for solving the security constrained unit commitment (SCUC) problem. The proposed formulation requires much less computation time in comparison with other methods while assuring the accuracy of the results. Furthermore, the framework provided here allows including an accurate description of warmth-dependent startup costs, valve point effects, multiple fuel costs, forbidden zones of operation, and AC load flow bounds. To solve the nonconvex problem, an adapted binary programming method and enhanced dual neural network model are utilized as optimization tools, and a procedure for AC power flow modeling is developed for including contingency/security issues, as new contributions to earlier studies. Unlike classical SCUC methods, the proposed method allows to simultaneously solve the unit commitment problem and comply with the network limits. In addition to conventional test systems, a real-world large-scale power system with 493 units has been used to fully validate the effectiveness of the novel hybrid method proposed
The gravitational time delay in the field of a slowly moving body with arbitrary multipoles
We calculate the time delay of light in the gravitational field of a slowly moving body with arbitrary multipoles (mass and spin multipole moments) by the Time-Transfer-Function (TTF) formalism. The parameters we use, first introduced by Kopeikin for a gravitational source at rest, make the integration of the TTF very elegant and simple. Results completely coincide with expressions from the literature. The results for a moving body (with constant velocity) with complete multipole-structure are new, according to our knowledge. - Highlights: • The Time-Transfer-Function (TTF) is used to calculate the gravitational time delay. • The time delay for a body with arbitrary multipoles at rest is calculated in a very simply manner. • The gravitational time delay induced by a slowly moving body with arbitrary multipoles is derived for the first time
Michel-López, C Y; González-Mendoza, D; Grimaldo-Juarez, O
2013-01-01
The extraction of high-quality genomic DNA from Prosopis spp for polymerase chain reaction (PCR) amplification is complicated, owing to the presence of a high percentage of secondary metabolites that bind to or co-precipitate with nucleic acids. In the present study, we report a modified sodium dodecyl sulfate/phenol protocol that eliminates the use of liquid nitrogen in the maceration process, β-mercaptoethanol in the buffer extraction, and the ethanol precipitation step. The A₂₆₀/A₂₈₀ absorbance ratios of the isolated DNA were approximately 2.0 to 1.9, suggesting that the DNA fraction was pure and can be used for further PCR analysis. The DNA isolated by this protocol is of sufficient quality for molecular applications; this technique could be applied to other organisms that have similar substances that hinder DNA extraction. Finally, this proposal represents an alternative fast, cheap, and effective method for the isolation of genomic DNA from fresh leaves of Prosopis spp, even in low-technology laboratories. PMID:24089098
The visual shape and multipole moments of the sun
Solar diameter measurements made in 1983 at the Santa Catalina Laboratory for Experimental Relativity by Astrometry (SCLERA) have been analyzed for the Sun's quadrupole and hexadecapole shape terms. Expressing the Sun's apparent diameter as a Legendre series, these two terms represent the P2 and P4 coefficients, respectively. The theoretical framework used to provide a relationship between the observed shape of the Sun and the multipole moments of the solar gravitational potential fields has been improved to include in general the effect of differential rotation in both latitude and radius. The gravitational potential multipole moments, expressed as the P2 and P4 coefficients of a Legendre series, have been found to be J2 = (3.4 +- 1.0) E-6 and J4 = (1.7 +- 1.1) E-6, respectively. The total apparent oblateness ΔR = (equator-polar radii) found from SCLERA observations is ΔR = 13.8 milliarcseconds. The surface rotation contribution ΔR' to the apparent solar shape is ΔR' = 7.9 milliarcseconds. The quoted uncertainties represent formal statistical 1 σ errors only. Evidence for periodic shape distortions near the equator have also been found. 30 refs., 1 fig., 3 tabs
On the Fly Doppler Broadening Using Multipole Representation
On the Fly Doppler broadening is the technique to avoid pre-generation of the microscopic cross section, in other words, reduce the amount of storage. Currently, there are different types of formalisms used by NJOY code to generate reaction cross section and accomplish its Doppler broadening. Single-Level Breit-Wigner (SLBW) formalism is limited to well-separated resonances, in other words, it does not consider interference between energy levels. Multi-Level Breit- Wigner formalism (MLBW) was tested as the candidate for the cross section generation in the Monte Carlo code, which is under development in UNIST. According to the results, MLBW method requires huge amount of computational time to produce cross section at certain energy point. Reich-Moore (RM) technique can generate only 0K cross section, which means that it cannot produce broaden cross section directly from resonance parameters. The first step was to convert resonance parameters given in nuclear data file into multipoles. MPR shows very high potential to be used as the formalism in the on-the-fly Doppler broadening module of MCS. One of the main reasons is that comparison of the time cost shown in Table IV supports application of multipole representation
Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules.
Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W
2011-10-11
An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities and heats of vaporization of neat liquids. As a validation, the hydrogen bonding energies and structures of gas phase heterodimers with water are evaluated using the resulting potential. For 32 homo- and heterodimers, the association energy agrees with ab initio results to within 0.4 kcal/mol. The RMS deviation of hydrogen bond distance from QM optimized geometry is less than 0.06 Å. In addition, liquid self-diffusion and static dielectric constants computed from molecular dynamics simulation are consistent with experimental values. The force field is also used to compute the solvation free energy of 27 compounds not included in the parameterization process, with a RMS error of 0.69 kcal/mol. The results obtained in this study suggest the AMOEBA force field performs well across different environments and phases. The key algorithms involved in the electrostatic model and a protocol for developing parameters are detailed to facilitate extension to additional molecular systems. PMID:22022236
Timm eSchoening
2015-04-01
Full Text Available Marine researchers continue to create large quantities of benthic images e.g. using AUVs (Autonomous Underwater Vehicles. In order to quantify the size of sessile objects in the images, a pixel-to-centimetre ratio is required for each image, often indirectly provided through a geometric laser point (LP pattern, projected onto the seafloor. Manual annotation of these LPs in all images is too time-consuming and thus infeasible for nowadays data volumes. Because of the technical evolution of camera rigs, the LP's geometrical layout and colour features vary for different expeditions and projects. This makes the application of one algorithm, tuned to a strictly defined LP pattern, also ineffective.Here we present the web-tool DELPHI, that efficiently learns the LP layout for one image transect / collection from just a small number of hand labelled LPs and applies this layout model to the rest of the data. The efficiency in adapting to new data allows to compute the LPs and the pixel-to-centimetre ratio fully automatic and with high accuracy. DELPHI is applied to two real-world examples and shows clear improvements regarding reduction of tuning effort for new LP patterns as well as increasing detection performance.
Artificial intelligence is foreseen as the base for new control systems aimed to replace traditional controllers and to assist and eventually advise plant operators. This paper discusses the development of an indirect model reference adaptive control (MRAC) system, using the artificial neural network (ANN) technique, and its implementation to control the outlet steam temperature of a sodium to water evaporator. The ANN technique is applied in the identification and in the control process of the indirect MRAC system. The emphasis is placed on demonstrating the efficacy of the indirect MRAC system in controlling the outlet steam temperature of the evaporator, and on showing the important function covered by the ANN technique. An important characteristic of this control system is that it relays only on some selected input variables and output variables of the evaporator model. These are the variables that can be actually measured or calculated in a real environment. The results obtained applying the indirect MRAC system to control the evaporator model are quite remarkable. The outlet temperature of the steam is almost perfectly kept close to its desired set point, when the evaporator is forced to depart from steady state conditions, either due to the variation of some input variables or due to the alteration of some of its internal parameters. The results also show the importance of the role played by the ANN technique in the overall control action. The connecting weights of the ANN nodes self adjust to follow the modifications which may occur in the characteristic of the evaporator model during a transient. The efficiency and the accuracy of the control action highly depends on the on-line identification process of the ANN, which is responsible for upgrading the connecting weights of the ANN nodes. (J.P.N.)
Planar charged-particle trajectories in multipole magnetic fields
D. M. Willis
Full Text Available This paper provides a complete generalization of the classic result that the radius of curvature (ρ of a charged-particle trajectory confined to the equatorial plane of a magnetic dipole is directly proportional to the cube of the particle's equatorial distance (ϖ from the dipole (i.e. ρ ∝ ϖ^{3}. Comparable results are derived for the radii of curvature of all possible planar charged-particle trajectories in an individual static magnetic multipole of arbitrary order m and degree n. Such trajectories arise wherever there exists a plane (or planes such that the multipole magnetic field is locally perpendicular to this plane (or planes, everywhere apart from possibly at a set of magnetic neutral lines. Therefore planar trajectories exist in the equatorial plane of an axisymmetric (m = 0, or zonal, magnetic multipole, provided n is odd: the radius of curvature varies directly as ϖ^{n}^{+2}. This result reduces to the classic one in the case of a zonal magnetic dipole (n =1. Planar trajectories exist in 2m meridional planes in the case of the general tesseral (0 < m < n magnetic multipole. These meridional planes are defined by the 2m roots of the equation cos[m(Φ – Φ_{n}^{m}] = 0, where Φ_{n}^{m} = (1/m arctan (h_{n}^{m}/g_{n}^{m}; g_{n}^{m} and h_{n}^{m} denote the spherical harmonic coefficients. Equatorial planar trajectories also exist if (n – m is odd. The polar axis (θ = 0,π of a tesseral magnetic multipole is a magnetic neutral line if m > 1. A further 2m(n – m neutral lines exist at the intersections of the 2m meridional planes with the (n – m cones defined by the (n
Giant resonance of electrical multipole from droplet model
The formalism of the electrical multipole resonance developed from the Droplet nuclear model is presented. It combines the approaches of Goldhaber-Teller (GT) and Steinwedel-Jensen (SJ) and it shows the relative contribution of Coulomb, superficial and neutron excess energies. It also discusses the calculation of half-width. The model evaluates correctly the resonance energies as a function of nuclear mass and allows, through the Mixture Index, the prediction of the complementary participation of modes SJ and GT in the giant nuclear resonance. Values of the mixture index, for each multipolarity, reproduce well the form factors obtained from experiments of charged particle inelastic scattering. The formalism presented for the calculation of the half-width gives a macroscopic description of the friction mechanism. The establishment of the macroscopic structure of the Dissipation Function is used as a reference in the comparison of microscopic calculations. (Author)
Disentangling multipole contributions to collective excitations in fullerenes
Schüler, Michael; Pavlyukh, Yaroslav
2015-01-01
Angular resolved electron energy-loss spectroscopy (EELS) gives access to the momentum and the energy dispersion of electronic excitations and allows to explore the transition from individual to collective excitations. Dimensionality and geometry play thereby a key role. As a prototypical example we analyze theoretically the case of Buckminster fullerene C60 using ab initio calculations based on the time-dependent density-functional theory. Utilizing the non-negative matrix factorization method, multipole contributions to various collective modes are isolated, imaged in real space, and their energy and momentum dependencies are traced. A possible experiment is suggested to access the multipolar excitations selectively via EELS with electron vortex (twisted) beams. Furthermore, we construct an accurate analytical model for the response function. Both the model and the ab initio cross sections are in excellent agreement with recent experimental data.
Real space electrostatics for multipoles. III. Dielectric Properties
Lamichhane, Madan; Newman, Kathie E; Gezelter, J Daniel
2016-01-01
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the dielectric properties of fluids that emerge from simulations using these methods. Most electrostatic methods (including the Ewald sum) require correction to the conducting boundary fluctuation formula for the static dielectric constants, and we discuss the derivation of these corrections for the new real space methods. For quadrupolar fluids, the analogous material property is the quadrupolar susceptibility. As in the dipolar case, the fluctuation formula for the quadrupolar susceptibility has corrections that depend on the electrostatic method being utilized. One of the most important effects measured by both the static dielectric and quadrupolar susceptibility is the ability to screen charges embedded in the fluid. We use potentials of mean force between solvated ions to...
Elliptical multipole wiggler beamlines at the advanced photon source
The Basic Energy Sciences Synchrotron Radiation Center Collaborative Access Team has built three independent beamlines, which simultaneously utilize the X-ray radiation from an elliptical multipole wiggler, located at Sector 11 of the Advanced Photon Source. This insertion device produces circularly polarized X-rays on-axis and linearly polarized X-rays above and below the ring plane. The lower linearly polarized radiation is used in the monochromatic 11ID-D station for scattering and spectroscopy experiments in the 5-40 keV range. The on-axis circularly polarized photons are used for magnetic Compton scattering experiments in the 11ID-B station. The upper linearly polarized radiation is utilized by the high-energy diffraction station, 11ID-C. We report here on the beamline optics and experimental station equipment
Studies of giant multipole resonances with intermediate energy heavy ions
Beene, J.R.
1989-01-01
The role of intermediate energy heavy ions in the study of giant multipole resonances is explored, with emphasis on gamma decay coincidence experiments. Experiments on /sup 208/Pb bombarded by 22 MeV/nucleon and 84 MeV/nucleon /sup 17/O are discussed and compared. The role of Coulomb excitation in the 84 MeV/nucleon data is emphasized and some consequences for study of isovector resonance strength are explored. A comparison of the excitation and decay of the isovector giant dipole resonance in /sup 208/Pb and /sup 209/Bi excited with 84 MeV/nucleon /sup 17/O scattering is presented. 19 refs., 15 figs., 1 tab.
Point sources and multipoles in inverse scattering theory
Potthast, Roland
2001-01-01
Over the last twenty years, the growing availability of computing power has had an enormous impact on the classical fields of direct and inverse scattering. The study of inverse scattering, in particular, has developed rapidly with the ability to perform computational simulations of scattering processes and led to remarkable advances in a range of applications, from medical imaging and radar to remote sensing and seismic exploration. Point Sources and Multipoles in Inverse Scattering Theory provides a survey of recent developments in inverse acoustic and electromagnetic scattering theory. Focusing on methods developed over the last six years by Colton, Kirsch, and the author, this treatment uses point sources combined with several far-reaching techniques to obtain qualitative reconstruction methods. The author addresses questions of uniqueness, stability, and reconstructions for both two-and three-dimensional problems.With interest in extracting information about an object through scattered waves at an all-ti...
The specification of a multipole wiggler for CAMD
The growth of CAMD's research program over the last several years, in particular following the commissioning of a 7 T wiggler, has produced a demand for both higher beam brightness and flux density. Consequently, new insertion devices, such as a multi-pole wiggler (MPW), are being considered. A proposal has been submitted to the National Science Foundation for the funding of an MPW which would replace the existing 7 T wavelength shifter. The outline specification for this device is presented and also results of tests of modified optics for the CAMD storage ring which will be needed to accommodate the MPW. The modified optics have a reduced vertical aperture requirement of 20 mm at the location of the MPW
Analytical study of the conjecture rule for the combination of multipole effects in LHC
Guignard, Gilbert
1997-01-01
This paper summarizes the analytical investigation done on the conjecture law found by tracking for the effect on the dynamic aperture of the combination of two multipoles of various order. A one-dimensional model leading to an integrable system has been used to find closed formulae for the dynamic aperture associated with a fully distributed multipole. The combination has then been studied and the resulting expression compared with the assumed conjecture law. For integrated multipoles small with respect to the focusing strength, the conjecture appears to hold, though with an exponent different from the one expected by crude reasoning.
Multipole moments of rare-earth nuclei in the generator coordinate method
The collective multipole moment operators Qλcoll are constructed within the generator coordinate method (GCM) in gaussian overlap approximation (GOA). BCS wave functions are used as the generator functions. The Nilsson single-particle plus pairing hamiltonian is employed in this paper. When constructing the collective hamiltonian, the potential energies are evaluated by the Strutinsky shell correction method and the mass parameters are obtained by the GCM+GOA or the cranking model. The kinetic and zero-point corrections to Qλcoll are found not to influence the mean values or the multipole moments by more than 1%. The GCM multipole moments are in good agreement with experimental data. (orig.)
The article presents the multipole expansion for the electron-nucleus scattering cross-section at high energies within framework of the unified electroweak theory. The electroweak currents of the nucleus is expanded into simple components with definite angular momentum, which are called the multipole form factors. The multipole expansion of the cross-section is a consequence of the above expansion. Besides the familiar electromagnetic form factors FLX, there are new form factors VLX and ALX related to weak interactions, corresponding to the vector and axial weak currents. The obtained general expressions are applied to the nucleus 6Li, where the partial form factors are computed in the multiparticle shell model. (author)
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum
Schnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W.
2007-03-01
Modeling the change in the electrostatics of organic molecules upon moving from vacuum into solvent, due to polarization, has long been an interesting problem. In vacuum, experimental values for the dipole moments and polarizabilities of small, rigid molecules are known to high accuracy; however, it has generally been difficult to determine these quantities for a polar molecule in water. A theoretical approach introduced by Onsager [J. Am. Chem. Soc. 58, 1486 (1936)] used vacuum properties of small molecules, including polarizability, dipole moment, and size, to predict experimentally known permittivities of neat liquids via the Poisson equation. Since this important advance in understanding the condensed phase, a large number of computational methods have been developed to study solutes embedded in a continuum via numerical solutions to the Poisson-Boltzmann equation. Only recently have the classical force fields used for studying biomolecules begun to include explicit polarization in their functional forms. Here the authors describe the theory underlying a newly developed polarizable multipole Poisson-Boltzmann (PMPB) continuum electrostatics model, which builds on the atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field. As an application of the PMPB methodology, results are presented for several small folded proteins studied by molecular dynamics in explicit water as well as embedded in the PMPB continuum. The dipole moment of each protein increased on average by a factor of 1.27 in explicit AMOEBA water and 1.26 in continuum solvent. The essentially identical electrostatic response in both models suggests that PMPB electrostatics offers an efficient alternative to sampling explicit solvent molecules for a variety of interesting applications, including binding energies, conformational analysis, and pKa prediction. Introduction of 150mM salt lowered the electrostatic solvation energy between 2 and 13kcal /mole, depending on
Collective multipole excitations based on correlated realistic nucleon-nucleon interactions
We investigate collective multipole excitations for closed shell nuclei from 16O to 208Pb using correlated realistic nucleon-nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central and tensor correlations a re treated explicitly within the Unitary Correlation Operator Method (UCOM), which provides a phase-shift equivalent correlated interaction VUCOM adapted to simple uncorrelated Hilbert spaces. The same unitary transformation that defines the correlated interaction is used to derive correlated transition operators. Using VUCOM we solve the Hartree-Fock problem and employ the single-particle states as starting point for the RPA. By construction, the UCOM-RPA is fully self-consistent, i.e. the same correlated nucleon-nucleon interact ion is used in calculations of the HF ground state and in the residual RPA interaction. Consequently, the spurious state associated with the center-of-mass motion is properly removed and the sum-rules are exhausted within ±3%. The UCOM-RPA scheme results in a collective character of giant monopole, dipole, and quadrupole resonances in closed-shell nuclei across the nuclear chart. For the isoscalar giant monopole resonance, the resonance energies are in agreement with experiment hinting at a reasonable compressibility. However, in the 1- and 2+ channels the resonance energies are overestimated due to missing long-range correlations and three-body contributions. (orig.)
Kong, Weiwei; Lei, Yang; Zhao, Huaixun
2014-11-01
The issue of visible light and infrared images fusion has been an active topic in both military and civilian areas, and a great many relevant algorithms and techniques have been developed accordingly. This paper addresses a novel adaptive approach to the above two patterns of images fusion problem, employing multi-scale geometry analysis (MGA) of non-subsampled shearlet transform (NSST) and fast non-negative matrix factorization (FNMF) together. Compared with other existing conventional MGA tools, NSST owns not only better feature-capturing capabilities, but also much lower computational complexities. As a modification version of the classic NMF model, FNMF overcomes the local optimum property inherent in NMF to a large extent. Furthermore, use of the FNMF with a less complex structure and much fewer iteration numbers required leads to the enhancement of the overall computational efficiency, which is undoubtedly meaningful and promising in so many real-time applications especially the military and medical technologies. Experimental results indicate that the proposed method is superior to other current popular ones in both aspects of subjective visual and objective performance.
A multipole-based water potential with implicit polarization for biomolecular simulations.
Walsh, T R; Liang, T
2009-04-30
A new water potential, DMIP (distributed multipoles, implicit polarization), is constructed using distributed multipoles to describe the electrostatic interactions, while accounting for polarization implicitly. In this procedure, small clusters are randomly sampled from atomistic simulations of bulk water using the AMOEBA (Ren and Ponder, J Comput Chem 2002, 23, 1497) potential. The multipole moments of the central water in each cluster are obtained from ab initio densities for each cluster, and the moments are then averaged over all clusters. Properties of bulk water calculated using DMIP compare favorably with existing data from AMOEBA simulations and experiment, with a conservative estimate of reduction in compute time of roughly 40%. The implicit force-field is also shown to work compatibly with existing polarizable multipole-based force-fields for biomolecules. PMID:18785240
A detailed proof of the fundamental theorem of STF multipole expansion in linearized gravity
Zschocke, Sven
2014-01-01
The linearized field equations of general relativity in harmonic coordinates are given by an inhomogeneous wave equation. In the region exterior to the matter field, the retarded solution of this wave equation can be expanded in terms of 10 Cartesian symmetric and tracefree (STF) multipoles in post-Minkowskian approximation. For such a multipole decomposition only three and rather weak assumptions are required: 1. No-incoming radiation condition. 2. The matter source is spatially compact. 3. A spherical expansion for the metric outside the matter source is possible. During the last decades, the STF multipole expansion has been established as a powerful tool in several fields of gravitational physics: celestial mechanics, theory of gravitational waves and in the theory of light propagation and astrometry. But despite its formidable importance, an explicit proof of the fundamental theorem of STF multipole expansion has not been presented thus far, while only some parts of it are distributed into several publica...
Collective multipole-like signatures of entanglement in symmetric N-qubit systems
Devi, A. R. Usha; Prabhu, R.; Rajagopal, A K
2006-01-01
A cogent theory of collective multipole-like quantum correlations in symmetric multiqubit states is presented by employing SO(3) irreducible spherical tensor representation. An arbitrary bipartite division of this system leads to a family of inequalities to detect entanglement involving averages of these tensors expressed in terms of the total system angular momentum operator. Implications of this theory to the quantum nature of multipole-like correlations of all orders in the Dicke states ar...
Fast triangulated vortex methods for the 2D Eulen equations
Russo, Giovanni; Strain, John A.
1994-04-01
Vortex methods for inviscid incompressible two-dimensional fluid flow are usually based on blob approximations. This paper presents a vortex method in which the vorticity is approximated by a piecewise polynomial interpolant on a Delaunay triangulation of the vortices. An efficient reconstruction of the Delaunay triangulation at each step makes the method accurate for long times. The vertices of the triangulation move with the fluid velocity, which is reconstructed from the vorticity via a simplified fast multipole method for the Biot-Savart law with a continuous source distribution. The initial distribution of vortices is constructed from the initial vorticity field by an adaptive approximation method which produces good accuracy even for discontinuous initial data. Numerical results show that the method is highly accurate over long time intervals. Experiments with single and multiple circular and elliptical rotating patches of both piecewise constant and smooth vorticity indicate that the method produces much smaller errors than blob methods with the same number of degrees of freedom, at little additional cost. Generalizations to domains with boundaries, viscous flow, and three space dimensions are discussed.
Productive Large Scale Personal Computing: Fast Multipole Methods on GPU/CPU Systems Project
National Aeronautics and Space Administration — To be used naturally in design optimization, parametric study and achieve quick total time-to-solution, simulation must naturally and personally be available to the...
Treecode and fast multipole method for N-body simulation with CUDA
Yokota, Rio
2010-01-01
Due to the variety and importance of applications of treecodes and FMM, the combination of algorithmic acceleration with hardware acceleration can have tremendous impact. Alas, programming these algorithms efficiently is no piece of cake. In this contribution, we aim to present GPU kernels for treecode and FMM in, as much as possible, an uncomplicated, accessible way. The interested reader should consult some of the copious literature on the subject for a deeper understanding of the algorithms themselves. Here, we will offer the briefest of summaries. We will focus our attention on achieving a GPU implementation that is efficient in its utilization of the architecture, but without applying the most advanced techniques known in the field (which would complicate the presentation).
Spectral Kinetic Simulation of the Ideal Multipole Resonance Probe
Gong, Junbo; Wilczek, Sebastian; Szeremley, Daniel; Oberrath, Jens; Eremin, Denis; Dobrygin, Wladislaw; Schilling, Christian; Friedrichs, Michael; Brinkmann, Ralf Peter
2015-09-01
The term Active Plasma Resonance Spectroscopy (APRS) denotes a class of diagnostic techniques which utilize the natural ability of plasmas to resonate on or near the electron plasma frequency ωpe: An RF signal in the GHz range is coupled into the plasma via an electric probe; the spectral response of the plasma is recorded, and a mathematical model is used to determine plasma parameters such as the electron density ne or the electron temperature Te. One particular realization of the method is the Multipole Resonance Probe (MRP). The ideal MRP is a geometrically simplified version of that probe; it consists of two dielectrically shielded, hemispherical electrodes to which the RF signal is applied. A particle-based numerical algorithm is described which enables a kinetic simulation of the interaction of the probe with the plasma. Similar to the well-known particle-in-cell (PIC), it contains of two modules, a particle pusher and a field solver. The Poisson solver determines, with the help of a truncated expansion into spherical harmonics, the new electric field at each particle position directly without invoking a numerical grid. The effort of the scheme scales linearly with the ensemble size N.
Plasma Heating and Losses in Toroidal Multipole Fields
The heating and loss of plasmas have been studied in three pulsed, toroidal multipole devices: a large levitated octupole, a small supported octupole and a very small supported quadrupole. Plasmas are produced by gun injection and heated by electron and ion cyclotron resonance heating and ohmic heating. Electron cyclotron heating rates have been measured over a wide range of parameters, and the results are in quantitative agreement with stochastic heating theory. Electron cyclotron resonance heating produces ions with energies larger than predicted by theory. With the addition of a toroidal field, ohmic heating gives densities as high as 1013cm-3 in the toroidal quadrupole and 1012cm-3 in the small octupole. Plasma losses for n=5 x 109cm-3 plasmas are inferred from Langmuir probe and Fabry-Perot interferometer measurements, and measured with special striped collectors on the wall and rings. The loss to a levitated ring is measured using a modulated light beam telemeter. The confinement is better than Bohm but considerably worse than classical. Low frequency convective cells which are fixed in space are observed. These cells around the ring are diminished when a weak toroidal field is added, and loss collectors show a vastly reduced flux to the rings. Analysis of the spatial density profile shows features of B-independent diffusion. The confinement is sensitive to some kinds of dc field errors, but surprisingly insensitive to perturbations of the ac confining field
Internal conversion coefficients of high multipole transitions: Experiment and theories
Gerl, J.; Vijay Sai, K.; Sainath, M.; Gowrishankar, R.; Venkataramaniah, K.
2008-09-01
A compilation of the available experimental internal conversion coefficients (ICCs), αT, αK, αL, and ratios K/L and K/LM of high multipole ( L > 2) transitions for a number of elements in the range 21 ⩽ Z ⩽ 94 is presented. Our listing of experimental data includes 194 data sets on 110 E3 transitions, 10 data sets on 6 E4 transitions, 11 data sets on 7 E5 transitions, 38 data sets on 21 M3 transitions, and 132 data sets on 68 M4 transitions. Data with less than 10% experimental uncertainty have been selected for comparison with the theoretical values of Hager and Seltzer [R.S. Hager, E.C. Seltzer, Nucl. Data Tables A 4 (1968) 1], Rosel et al. [F. Rösel, H.M. Fries, K. Alder, H.C. Pauli, At. Data Nucl. Data Tables 21 (1978) 91], and BRICC. The relative percentage deviations (%Δ) have been calculated for each of the above theories and the averages (%Δ¯) are estimated. The Band et al. [I.M. Band, M.B. Trzhaskovskaya, C.W. Nestor Jr., P.O. Tikkanen, S. Raman, At. Data Nucl. Data Tables 81 (2002) 1] tables, using the BRICC interpolation code, are seen to give theoretical ICCs closest to experimental values.
A multipole superconducting wiggler for Canadian light source
Bekhtenev, E. A.; Khruschev, S. V.; Kuper, E. A.; Lev, V. H.; Mezentsev, N. A.; Miginsky, E. G.; Repkov, V. V.; Shkaruba, B. A.; Syrovatin, V. M.; Tsukanov, V. M.
2006-12-01
A contract for multipole superconducting wiggler design and fabrication between The University of Saskatchewan and Budker Institute of Nuclear Physics was signed in October 2003. A wiggler with the photons energy range 4 to 40 keV, the maximum field 1.9 T, and the period length as small as possible was required for the micro-XAFS beamline. In 2004 the 2 T 63-pole superconducting wiggler with the average period length 34 mm was fabricated in BINP. To eliminate the undulator-type spectrum, the periodicity of the wiggler was broken. A new approach to the cryostat design enabled long-time (up to 6 months) machine operation without liquid helium refilling (LHe consumption <0.03 l/h). After successful tests the wiggler was installed on the Canadian Light Source (CLS) storage ring with the energy 2.9 GeV in January 2005. The main parameters of the magnet and the cryogenic systems, as well as magnet measurements data, cryogenic system test data, and experimental results during machine operation on the CLS storage ring are presented.
Neptune radio emission in dipole and multipole magnetic fields
Sawyer, C. B.; King, N. V.; Romig, J. H.; Warwick, J. W.
1995-01-01
We study Neptune's smooth radio emission in two ways: we simulate the observations and we then consider the radio effects of Neptune's magnetic multipoles. A procedure to deduce the characteristics of radio sources observed by the Planetary Radio Astronomy experiment minimizes limiting assumptions and maximizes use of the data, including quantitative measurement of circular polarization. Study of specific sources simulates time variation of intensity and apparent polarization of their integrated emission over an extended time period. The method is applied to Neptune smooth recurrent emission (SRE). Time series are modeled with both broad and beamed emission patterns, and at two frequencies which exhibit different time variation of polarization. These dipole-based results are overturned by consideration of more complex models of Neptune's magnetic field. Any smooth emission from the anticipated auroral radio source is weak and briefly observed. Dominant SRE originates complex fields at midlatitude. Possible SRE source locations overlap that of 'high-latitude' emission (HLE) between +(out) and -(in) quadrupoles. This is the first identification of multipolar magnetic structure with a major source of planetary radio emission.
Efficient Kriging via Fast Matrix-Vector Products
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.
Brusa, M.; Perna, M.; Cresci, G.; Schramm, M.; Delvecchio, I.; Lanzuisi, G.; Mainieri, V.; Mignoli, M.; Zamorani, G.; Berta, S.; Bongiorno, A.; Comastri, A.; Fiore, F.; Kakkad, D.; Marconi, A.; Rosario, D.; Contini, T.; Lamareille, F.
2016-04-01
Aims: Outflow winds are invoked in co-evolutionary models to link the growth of SMBH and galaxies through feedback phenomena, and from the analysis of both galaxies and active galactic nuclei (AGN) samples at z ~ 1-3, it is becoming clear that powerful outflows may be very common in AGN hosts. High-resolution and high S/N observations are needed to uncover the physical properties of the wind through kinematics analysis. Methods: We exploited VLT/VIMOS, VLT/SINFONI, and Subaru/IRCS adaptive optics (AO) data to study the kinematics properties on the scale of the host galaxy of XID5395; this galaxy is a luminous, X-ray obscured starburst/quasar (SB-QSO) merging system at z ~ 1.5, detected in the XMM-COSMOS field, associated with an extreme [O II] emitter (with equivalent width, EW, ~200 Å). For the first time, we mapped the kinematics of the [O III] and Hα line complexes and linked them with the [O II] emission at high resolution. The high spatial resolution achieved allowed us to resolve all the components of the SB-QSO system. Results: Our analysis, with a resolution of few kpc, reveals complexities and asymmetries in and around the nucleus of XID5395. The velocity field measured via non-parametric analysis reveals different kinematic components with maximum blueshifted and redshifted velocities up to ≳ 1300 km s-1 that are not spatially coincident with the nuclear core. These extreme values of the observed velocities and spatial location can be explained by the presence of fast moving material. We also spectroscopically confirm the presence of a merging system at the same redshift as the AGN host. Conclusions: We propose that EW as large as >150 Å in X-ray selected AGN may be an efficient criterion to isolate objects associated with the short, transition phase of "feedback" in the AGN-galaxy co-evolutionary path. This co-evolutionary path subsequently evolves into an unobscured QSO, as suggested from the different observational evidence (e.g. merger, compact
Application of Gaussian Electrostatic Model (GEM) Distributed Multipoles in the AMOEBA Force Field.
Cisneros, G Andrés
2012-12-11
We present the inclusion of distributed multipoles obtained from the Gaussian Electrostatic Model (GEM) into the AMOEBA force field. As a proof of principle, we have reparametrized water and alanine di-peptide. The GEM distributed multipoles (GEM-DM) have been obtained at the same levels of theory as those used for the original AMOEBA parametrization. The use of GEM allows the derivation of the distributed multipoles from the analytical fit to the molecular density or the numerical fit to the molecular electrostatic potential (mESP). In addition, GEM-DM are intrinsically finite of the highest order of the auxiliary basis used for the GEM fit. We also present the fitting of multipoles for the di-methyl imidazolium/chloride (DMIM(+)-Cl(-)) ionic liquid pair. Results for intermolecular Coulomb for all test systems show very good agreement. MD simulations for a reparametrized AMOEBA water model with GEM-DM provide results on par with the original AMOEBA force field for a series of bulk properties including liquid density and enthalpy of vaporization. A package for the calculation of GEM Hermite coefficients and derived distributed multipoles using the numerical procedure is also presented and released under the GNU public license. PMID:26593198
a Detailed Proof of the Fundamental Theorem of STF Multipole Expansion in Linearized Gravity
Zschocke, Sven
2014-10-01
The linearized field equations of general relativity in harmonic coordinates are given by an inhomogeneous wave equation. In the region exterior to the matter field, the retarded solution of this wave equation can be expanded in terms of 10 Cartesian symmetric and tracefree (STF) multipoles in post-Minkowskian approximation. For such a multipole decomposition only three and rather weak assumptions are required: (1) No-incoming-radiation condition. (2) The matter source is spatially compact. (3) A spherical expansion for the metric outside the matter source is possible. During the last decades, the STF multipole expansion has been established as a powerful tool in several fields of gravitational physics: celestial mechanics, theory of gravitational waves and in the theory of light propagation and astrometry. But despite its formidable importance, an explicit proof of the fundamental theorem of STF multipole expansion has not been presented so far, while only some parts of it are distributed into several publications. In a technical but more didactical form, an explicit and detailed mathematical proof of each individual step of this important theorem of STF multipole expansion is represented.
United polarizable multipole water model for molecular mechanics simulation
Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu [Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Wang, Lee-Ping; Pande, Vijay S. [Department of Chemistry, Stanford University, Stanford, California 94305 (United States)
2015-07-07
We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interaction site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.
United polarizable multipole water model for molecular mechanics simulation
We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interaction site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water
Anomalies in the low CMB multipoles and extended foregrounds
We discuss how an extended foreground of the cosmic microwave background (CMB) can account for the anomalies in the low multipoles of the CMB anisotropies. The distortion needed to account for the anomalies is consistent with a cold spot with the spatial geometry of the local supercluster (LSC) and a temperature quadrupole of order ΔT22≅50 μK2. If this hypothetic foreground is subtracted from the CMB data, the amplitude of the quadrupole (l=2) is substantially increased, and the statistically improbable alignment of the quadrupole with the octopole (l=3) is substantially weakened, increasing dramatically the likelihood of the cleaned maps. By placing the foreground on random locations and then computing the likelihood of the cleaned maps we can estimate the most likely place for this foreground. Although the 1-year WMAP data clearly points the location of this hypothetical foreground to the LSC or its specular image (i.e., the vicinity of the poles of the cosmic dipole axis), the three-year data seems to point to these locations as well as the north ecliptic pole. We show that this is consistent with the symmetries of the cosmic quadrupole. We also discuss a possible mechanism that could have generated this foreground: the thermal Sunyaev-Zeldovich effect caused by hot electrons in the LSC. We argue that the temperature and density of the hot gas which are necessary to generate such an effect, though in the upper end of the expected range of values, are marginally consistent with present observations of the X-ray background of spectral distortions of the CMB
Fast time variations of supernova neutrino fluxes and their detectability
Lund, Tina; Marek, Andreas; Lunardini, Cecilia; Janka, Hans-Thomas; Raffelt, Georg
2010-01-01
In the delayed explosion scenario of core-collapse supernovae (SNe), the accretion phase shows pronounced convective overturns and a low-multipole hydrodynamic instability, the standing accretion shock instability (SASI). These effects imprint detectable fast time variations on the emerging neutrino flux. Among existing detectors, IceCube is best suited to this task, providing an event rate of ~1000 events per ms during the accretion phase for a fiducial SN distance of 10 kpc, comparable to w...
Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides
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.
Anti-de-Sitter regular electric multipoles: towards Einstein-Maxwell-AdS solitons
Herdeiro, Carlos
2015-01-01
We discuss electrostatics in Anti-de-Sitter ($AdS$) spacetime, in global coordinates. We observe that the multipolar expansion has two crucial differences to that in Minkowski spacetime. First, there are everywhere regular solutions, with finite energy, for every multipole moment except for the monopole. Second, all multipole moments decay with the same inverse power of the areal radius, $1/r$, as spatial infinity is approached. The first observation suggests there may be regular, self-gravitating, Einstein-Maxwell solitons in $AdS$ spacetime. The second observation, renders a Lichnerowicz-type no-soliton theorem inapplicable. Consequently, we suggest Einstein-Maxwell solitons exist in $AdS$, and we support this claim by computing the first order metric perturbations sourced by test electric field multipoles, which are obtained analytically in closed form.
Platonic topology and CMB fluctuations: Homotopy, anisotropy, and multipole selection rules
Kramer, Peter
2009-01-01
The Cosmic Microwave Background CMB originates from an early stage in the history of the universe. Observed low multipole contributions of CMB fluctuations have motivated the search for selection rules from the underlying topology of 3-space. Everitt (2004) has generated all homotopies for Platonic spherical 3-manifolds by face gluings. We transform the glue generators into isomorphic deck transformations. The deck transformations act on a spherical Platonic 3-manifold as prototile and tile the 3-sphere by its images. A complete set of orthonormal functions on the 3-sphere is spanned by the Wigner harmonic polynomials. For a tetrahedral, two cubic and three octahedral manifolds we construct algebraically linear combinations of Wigner polynomials, invariant under deck transformations and with domain the manifold. We prove boundary conditions on polyhedral faces from homotopy. By algebraic means we pass to a multipole expansion. Assuming random models of the CMB radiation, we derive multipole selection rules, d...
Tunable multipole resonances in plasmonic crystals made by four-beam holographic lithography
Luo, Y.; Li, X.; Zhang, X.; Prybolsky, S.; Shepard, G. D.; Strauf, S., E-mail: Strauf@stevens.edu [Department of Physics and Engineering Physics, Stevens Institute of Technology, Castle Point on the Hudson, Hoboken, New Jersey 07030 (United States)
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 of 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.
A SMALL UNBALANCED MAGNETRON SPUTTERING SOURCE WITH MULTIPOLE MAGNETIC FIELD ANODE
郑思孝; 孙官清; 等
1994-01-01
A small unbalanced magnetron atom source with multipole cusp magnetic field anode is described.The co-axial magnetron rpinciple is extended to the circular planar magnetron atom source,which raises the efficiency of sputtering target area up to 60%.The multipole magnetic field is put in the anode.which makes the unbalanced magnetron atom source run in a higher discharge current at a lower arc voltage condition.Meanwhile.the sputtering atoms through out the anode can be ionized partially,because the electron reaching the anode have to suffer multiple collisons in order to advance across the multipole magnetic field lines in the anode,which enhances the chemical reactivity of the ejecting atoms in film growth and improve the property of film depositing.
The electrostatic potential generated by topological atoms. II. Inverse multipole moments.
Rafat, M; Popelier, P L A
2005-11-22
Quantum chemical topology defines finite atoms, whose bounded electron density generates a well-defined electrostatic potential. A multipole expansion based on spherical tensors provides a potential that is formally convergent outside the divergence sphere. Part I of this series [P. L. A. Popelier and M. Rafat, Chem. Phys. Lett.376, 148 (2003)] showed that a continuous multipole expansion expands the convergence region, thereby allowing the electrostatic potential to be evaluated at short range. Here, we propose a different method, based on "inverse" multipole moments, enabling an expansion that converges everywhere. These moments are defined by inverse (i.e., negative) powers of the magnitude of the position vector describing the electron density inside the atom. We illustrate this technique on nitrogen in N(2), oxygen in H(2)O, and oxygen in the phenolic group of the amino acid tyrosine. The proposed method constitutes a considerable advance over the method presented in Part I. PMID:16351236
Beker, Wiktor; Langner, Karol M; Dyguda-Kazimierowicz, Edyta; Feliks, Mikołaj; Sokalski, W Andrzej
2013-08-01
The relative stability of biologically relevant, hydrogen bonded complexes with shortened distances can be assessed at low cost by the electrostatic multipole term alone more successfully than by ab initio methods. These results imply that atomic multipole moments may help improve ligand-receptor ranking predictions, particularly in cases where accurate structural data are not available. PMID:23696072
Effects of Crab Cavities' Multipole Content in an Electron-Ion Collider
Satogata, Todd J. [Jefferson Lab., Newport News, VA (United States); Morozov, Vasiliy [Jefferson Lab., Newport News, VA (United States); Delayen, Jean R. [Old Dominion Univ., Norfolk, VA (United States); Jefferson Lab., Newport News, VA (United States); Castillo, Alejandro [Old Dominion Univ., Norfolk, VA (United States)
2015-09-01
The impact on the beam dynamics of the Medium Energy Electron-Ion Colider (MEIC) due to the multipole content of the 750 MHz crab cavity was studied using thin multipole elements for 6D phase space particle tracking in ELEGANT. Target values of the sextupole component for the cavity’s field expansion were used to perform preliminary studies on the proton beam stability when compared to the case of pure dipole content of the rf kicks. Finally, important effects on the beam sizes due to non-linear components of the crab cavities’ fields were identified, and some criteria for their future study were proposed.
The selection rule of electronic multipole transitions derived from symmetry analysis
There is an only possibility to derive the symmetrical wave function, i.e. the symmetrized basis function, for each irreducible representation based on the group analysis, and so is for the selection rule for electronic multipole transitions: E1, E2 and E3. The present work devotes to derive the selection rule for electronic multipole transitions for group C2V and D2h. The selection rule derived from angular momentum is one of special cases. It is in agreement with the calculations of H2O and CC molecules by method SAC-CI/6-31G. (authors)
Quantum Phase for an Electric Multipole Moment in Noncommutative Quantum Mechanics
Hekim, Mamatabdulla; Anwar, Abduwali; Wang, Jianhua
2016-07-01
We study the noncommutative nonrelativistic quantum dynamics of a neutral particle, which possesses an electric multipole moment, in the presence of an external magnetic field. First, by introducing a shift for the magnetic field we give the Schrödinger equations in the presence of an external magnetic field both on a noncommutative space and a noncommutative phase space, respectively. Then by solving the Schrödinger equations, we obtain quantum phases of the electric multipole moment both on a noncommutative space and a noncommutative phase space. We demonstrate that these phase are geometric and dispersive.
Multipole Field Effects for the Superconducting Parallel-Bar Deflecting/Crabbing Cavities
The superconducting parallel-bar deflecting/crabbing cavity is currently being considered as one of the design options in rf separation for the Jefferson Lab 12 GeV upgrade and for the crabbing cavity for the proposed LHC luminosity upgrade. Knowledge of multipole field effects is important for accurate beam dynamics study of rf structures. The multipole components can be accurately determined numerically using the electromagnetic surface field data in the rf structure. This paper discusses the detailed analysis of those components for the fundamental deflecting/crabbing mode and higher order modes in the parallel-bar deflecting/crabbing cavity
Apparatus and method of dissociating ions in a multipole ion guide
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.
Metin Orbay; Telhat Ozdogan
2001-01-01
As an example of the use of the analytical formulas derived for electric multipole moment integrals over STOs in our previous work (I.L Guseinov,et al.,J.Mol.Struct.(Theochem) 465 (1999) 5),the 2v-pole electric moments have been calculated for the ground electronic states of LiH,BH and FH of the first-row diatomic hydride molecules. Calculated electric multipole moment values are in agreement with literatures.By the use of these analytical formulas the 2v -pole moments for multiatomic molecules can be evaluated most efficiently and accurately by employing STOs as basis sets.
A novel polyphase multipole square-wave permanent magnet motor drive for electric vehicles
Chan, CC; Jiang, JZ; Wang, XY; Chau, KT; Chen, GH
1994-01-01
A novel high-power-density permanent magnet (PM) motor drive for electric vehicles (EVs) is proposed. The motor is a polyphase multipole square-wave PM motor, which can be classified as a kind of PM brushless DC motor. The distinct features of the proposed motor as compared to those of the conventional PM brushless DC motor are as follows. First, the multipole magnetic circuit arrangement enables the minimization of the magnetic yoke, resulting in the reduction of motor volume and weight. Sec...
Estimation of emittance degradation due to multi-pole fields of XFEL bunch compressors
In order to obtain a high-brightness electron beam in an XFEL, the electron bunch should be longitudinally compressed in a linear accelerator using magnetic bunch compressors composed of four bending magnets. The bunch compression requires a large energy chirp on the electron bunch, which produces a horizontal spread of the beam size inside bunch compressors. Since the bending magnets have multi-pole field components, they leak energy-dispersion and degrade emittance downstream of the chicane. In this paper, the emittance degradation due to the multi-pole fields of the bending magnets is estimated using simplified analytical formulae for the XFEL/SPring-8. (author)
On the stability of two-layer geostrophic point-vortex multipoles
Kizner, Ziv
2014-04-01
A point-vortex multipole is an ensemble of m+1 vortices (m = 2, 3, …) possessing a m-fold symmetry, with the "core vortex" being located at the centre and m identical "satellite vortices" located at the vertices of an equilateral m-sided polygon (at m > 2) or at the ends of a straight-line segment (at m = 2). At m = 2, m = 3, and m = 4, the multipole is commonly termed a tripole, a quadrupole, and a pentapole, respectively, and the distance from the core vortex to the satellite vortices, the multipole leg. A multipole is said to be stable if, in response to sufficiently small initial perturbations in the distances between the vortices, the variations in the distances remain small for all times. The main issue of this article is an analytical study of the nonlinear stability of point-vortex tripoles characterized by that their core and satellite vortices reside in different layers of a two-layer f-plane quasigeostrophic model. Also the stability of pentapoles and quadrupoles is discussed. The parameters affecting the stability properties of a multipole are the length of its leg and the intensity of the core vortex relative to the satellite vortices. Among the invariants of the dynamical system that describes the motion of an ensemble of m+1 vortices, there are two ones depending on the distances between the vortices only. To establish the stability/instability of a multipole, we consider the restriction of one of the two invariants to the sheet (in the phase space) constituted by the states at which the second invariant takes the same value as at the multipole equilibrium state. Two versions of the method are presented and employed to analyze the stability of collinear states (m = 2) and non-collinear states (m > 2). For tripoles, complete stability analysis is performed resulting in the determination of the regions of stability/instability in the parameter plane. Depending on the parameters, a multipole can rotate clockwise or counterclockwise, and also can be
Plasma Injection, Heating, Confinement, and losses In Multipole Structures
Plasma behaviour and losses to the walls and to the surfaces of the isolated levitated hoops in a toroidal octupole have been examined for gun-injected and for microwave-produced plasmas with densities of 109 to 1011 cm-3 in the volume of 8 x 106 cm3 . Methods of plasma focusing by a magnetic lens which increase the gun plasma stream density by a factor of 40 are being applied to the octupole to raise the density. It has been discovered that electron cyclotron resonance heating (ECRH) also generates hot ions in the levitated octupole. The energy and density of these ions is comparable to that of gun-injected plasma (10 eV to 200 eV). Thin striped multi-electrode plasma collectors measure losses to surfaces with minimum mechanical of electrical disturbance to the body of the plasma, and a modulated light beam has been used to transmit signals outward from an isolated hoop. Losses to the hoop are sensitive to the time variation of B. A three-dimensional search of plasma structure with thin probes revealed some fluctuations during plasma motion caused by B more noticeable in the larger levitated octupole than in a small one-third scale supported hoop octupole. Correction of port-hole-field disturbances in the small octupole have been successful in reducing losses by 30% in the vicinity of the hole. Injection inside the confinement region of the small octupole has been used with small plasma sources to produce densities of 1013 cm-3. These studies have shown that stability and trapping efficiency are dependent on the location and orientation of the injector but not on the density. A toroidal magnetic field of 1000 G is being added to the levitated octupole. The transport of.plasma (Te = 2 eV, n = 109 cm-3) to the internal ring of a d.c. multipole-like device was increased by over a factor of 10 by the addition of a 1% magnetic perturbation which caused field lines to spiral across the confinement region. The plasma transport was reduced by a factor of 30 to 50 with the
Gray, Morgan; Rodionov, Sergey; Bocquet, Marc; Bertino, Laurent; Ferrari, Marc; Fusco, Thierry
2014-01-01
We propose a new algorithm for an adaptive optics system control law, based on the Linear Quadratic Gaussian approach and a Kalman Filter adaptation with localizations. It allows to handle non-stationary behaviors, to obtain performance close to the optimality defined with the residual phase variance minimization criterion, and to reduce the computational burden with an intrinsically parallel implementation on the Extremely Large Telescopes (ELTs).
Defining the systematic and random multipole errors for Main Injector Tracking
At the Fermilab Magnet Test Facility (MTF) measurements of magnet field shape and strength have been performed. The tracking of the Fermi Main Injector (FMI) lattice requires a detailed knowledge of the magnetic field quality and its variation from magnet to magnet. As of this date only two prototype dipole magnets have been built, not enough to do a statistical analysis. For this purpose we have used old Main Ping dipole measurements. Measurements on a subset of Main Ring (MR) quadrupoles are also available. From the different sets of measurements available to us we have separated in our simulation the end multipoles from the body multipoles. Such a dissection of the magnet enables us to study more closely the effects of the end multipoles on the performance of the Main Injector. In particular we have studied the closed orbit errors due to variations in effective length of the long and short type dipoles. Tables of multipole errors are presented at both injection (8.9 GeV/c) and slow extraction (120 GeV/c) energies
Upper threshold for stability of multipole-mode solitons in nonlocal nonlinear media
Xu, Zhiyong; Kartashov, Yaroslav V.; Torner, Lluis
2005-01-01
We address the stability of multipole-mode solitons in nonlocal Kerr-type nonlinear media. Such solitons comprise several out-of-phase peaks packed together by the forces acting between them. We discover that dipole-, triple-, and quadrupole-mode solitons can be made stable, whereas all higher-order soliton bound states are unstable.
In this work we extend the use of multipole moments expansion to the case of inner radiation fields. A series expansion of the photon flux was established. The main advantage of this approach is that it offers the opportunity to treat both inner and external radiation field cases. We determined the expression of the inner multipole moments in both spherical harmonics and in cartesian coordinates. As an application we applied the analytical model to a radiation facility used for small target irradiation. Theoretical, experimental and simulation studies were performed, in air and in a product, and good agreement was reached.Conventional dose distribution study for gamma irradiation facility involves the use of isodose maps. The establishment of these maps requires the measurement of the absorbed dose in many points, which makes the task expensive experimentally and very long by simulation. However, a lack of points of measurement can distort the dose distribution cartography. To overcome these problems, we present in this paper a mathematical method to describe the dose distribution in air. This method is based on the multipole expansion in spherical harmonics of the photon flux emitted by the gamma source. The determination of the multipole coefficients of this development allows the modeling of the radiation field around the gamma source. (Author)
Higher-order multipole amplitude measurement in psi ' -> gamma chi(c2)
Ablikim, M.; Achasov, M. N.; Alberto, D.; An, F. F.; An, Q.; An, Z. H.; Bai, J. Z.; Baldini, R.; Ban, Y.; Becker, J.; Berger, N.; Bertani, M.; Bian, J. M.; Boger, E.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Calcaterra, A. C.; Cao, G. F.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denysenko, I.; Destefanis, M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fang, J.; Fang, S. S.; Feng, C. Q.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Han, Y. L.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, B.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jia, L. K.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Kuehn, W.; Lai, W.; Lange, J. S.; Leung, J. K. C.; Li, C. H.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, K.; Li, Lei; Li, N. B.; Li, Q. J.; Li, S. L.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, X. T.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H.; Liu, H. B.; Liu, H. H.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K.; Liu, K.; Liu, K. Y.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Y. W.; Liu, Yong; Liu, Z. A.; Liu, Zhiqiang; Liu, Zhiqing; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lv, M.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, S.; Ma, T.; Ma, X.; Ma, X. Y.; Maggiora, M.; Malik, Q. A.; Mao, H.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Muchnoi, N. Yu; Nefedov, Y.; Nikolaev, I. B.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Park, J. W.; Pelizaeus, M.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Pun, C. S. J.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, X. D.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tian, H. L.; Toth, D.; Varner, G. S.; Wang, B.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, Q. J.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Wen, Q. G.; Wen, S. P.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, W.; Wu, Z.; Xiao, Z. J.; Xie, Y. G.; Xiu, Q. L.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Q. J.; Xu, X. P.; Xu, Y.; Xu, Z. R.; Xu, Z. Z.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, T.; Yang, Y.; Yang, Y. X.; Ye, H.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, S. P.; Yuan, C. Z.; Yuan, W. L.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, L.; Zhang, S. H.; Zhang, T. R.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. S.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, Jiawei; Zhao, Jingwei; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhao, Z. L.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zheng, Z. P.; Zhong, B.; Zhong, J.; Zhong, L.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Zuo, J. X.
2011-01-01
Using 106 x 10(6) psi' events collected with the BESIII detector at the BEPCII storage ring, the higher-order multipole amplitudes in the radiative transition psi' -> gamma chi(c2) -> gamma pi(+)pi(-)/gamma K+K- are measured. A fit to the chi(c2) production and decay angular distributions yields M2
Multipole field components of doublet q-magnet for MeV ion microbeam
A MeV ion microbeam system for ion beam analysis has been installed and connected with a 1.7 MV tandem accelerator at Waseda University, where field mapping is carried out to study field parameters of the doublet quadrupole magnet. The mapping uses a ray tracing program for computer simulation of the ion microbeam system. The distribution of the vertical component of the field strength in a horizontal median plane of the doublet quadrupole magnet is measured by using a Hall probe. Field strength measurements are analyzed in the first step, by using a model function to express two-dimensional distribution parameters covering the magnet geometry, multipole field and the fringing-field profile. In the second step, the transverse distribution of field strength in the magnet system is analyzed by using a function of multipole field. The longitudinal distributions of the multipole field components are determined through the analysis in the second step. It is found that the measured distribution in the fringing-field region cannot be expressed well by the model function used in the first step. In the second step, multipole field components other than the quadrupole ones are found to localize in the fringing-field region. (N.K.)
Multipole Models of Four-Image Gravitational Lenses with Anomalous Flux Ratios
Congdon, A B; Congdon, Arthur B.; Keeton, Charles R.
2005-01-01
Anomalous radio flux ratios in four-image gravitational lens systems can be explained by adding a clumpy cold dark matter (CDM) component to the potential of the lens galaxy. Evans & Witt (2003) recently suggested that smooth multipole perturbations can 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 k = 5 (and including shear) yields a model that is physical but implausible. Going to higher order (k >~ 9) reduces global departures from ellipticity at the cost of introducing small scale wiggles near the bright images. These localized undulations are more pronounced in B2045+265, where k ~ 17 multipoles are required to smooth...
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.
Elking, Dennis M; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G
2011-11-30
A finite field method for calculating spherical tensor molecular polarizability tensors α(lm;l'm') = ∂Δ(lm)/∂ϕ(l'm')* by numerical derivatives of induced molecular multipole Δ(lm) with respect to gradients of electrostatic potential ϕ(l'm')* is described for arbitrary multipole ranks l and l'. Interconversion formulae for transforming multipole moments and polarizability tensors between spherical and traceless Cartesian tensor conventions are derived. As an example, molecular polarizability tensors up to the hexadecapole-hexadecapole level are calculated for water using the following ab initio methods: Hartree-Fock (HF), Becke three-parameter Lee-Yang-Parr exchange-correlation functional (B3LYP), Møller-Plesset perturbation theory up to second order (MP2), and Coupled Cluster theory with single and double excitations (CCSD). In addition, intermolecular electrostatic and polarization energies calculated by molecular multipoles and polarizability tensors are compared with ab initio reference values calculated by the Reduced Variation Space method for several randomly oriented small molecule dimers separated by a large distance. It is discussed how higher order molecular polarizability tensors can be used as a tool for testing and developing new polarization models for future force fields. PMID:21915883
Two-dimensional multi-pole solitons in nonlocal nonlinear media
Rotschild, C; Kartashov, Y V; Segev, M; Torner, L; Xu, Z; Cohen, Oren; Kartashov, Yaroslav V.; Rotschild, Carmel; Segev, Mordechai; Torner, Lluis; Xu, Zhiyong
2006-01-01
We present the experimental observation of scalar multi-pole solitons in highly nonlocal nonlinear media, including dipole-, tri-pole, quadru-pole, and necklace-type solitons, organized as arrays of out-of-phase bright spots. These complex solitons are meta-stable, but with a large parameters range where the instability is weak, enabling their experimental observation.
Sensitivity analysis in multipole-accelerated panel methods for potential flow
Leathrum, James F., Jr.
1995-01-01
In the design of an airframe, the effect of changing the geometry on resulting computations is necessary for design optimization. The geometry is defined in terms of a series of design variables, including design variables to define the wing planform, tail, canard, pylon, and nacelle. Design optimization in this research is based on how these design variable affect the potential flow. The potential flow is computed as a function of the geometry and location of a series of panels describing the airframe, which are in turn a function of the design variables. Multipole accelerated panel methods improve the computational complexity of the problem and thus are an attractive approach. To utilize the methods in design optimization, it was necessary to define the appropriate sensitivity derivatives. The overhead incurred from finding the sensitivity derivatives in conjunction with the original computation should be small. This research developed the background for multipole-accelerated panel methods and the framework for finding sensitivity derivatives in the methods. Potential flow panel codes are commonly used for powered-lift aerodynamic predictions for three dimensional geometries. Given an airframe which has been discretized into a series of panels to define the airframe geometry, potential is computed as a function of the influence of all panels on all other panels. This is a computationally intensive problem for which efficient solutions are desired to improve the computational time and to allow greater resolution by use of more panels. One such solution is the use of hierarchical multipole methods which entail approximations of the effects of far-field terms. Hierarchical multipole methods have become prevalent in molecular dynamics and gravitational physics, and have been introduced into the fields of capacitance calculations, computational fluid dynamics, and electromagnetics. The methods utilize multipole expansions to describe the effect of bodies (i
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. PMID:27586772
Cheaper Synthesis Of Multipole-Brushless-dc-Motor Current
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.
Stepanyan, Ruben; Frolenkov, Gregory I.
2009-01-01
In inner ear hair cells, activation of mechotransduction channels is followed by extremely rapid deactivation that depends on the influx of Ca2+ through these channels. Although the molecular mechanisms of this “fast” adaptation are largely unknown, the predominant models assume Ca2+ sensitivity as an intrinsic property of yet unidentified mechanotransduction channels. Here we examined mechanotransduction in the hair cells of young postnatal shaker 2 mice (Myo15sh2/sh2). These mice have no fu...
Bianco, D; Knapp, F; Iudice, N. Lo; Vesely, P.; Andreozzi, F; G. De Gregorio; Porrino, A.
2014-01-01
The multipole response of neutron rich O and Sn isotopes is computed in Tamm-Dancoff and random-phase approximations using the canonical Hartree-Fock-Bogoliubov quasi-particle basis. The calculations are performed using an intrinsic Hamiltonian composed of a $V_{lowk}$ potential, deduced from the CD-Bonn nucleon-nucleon interaction, corrected with phenomenological density dependent and spin-orbit terms. The effect of these two pieces on energies and multipole responses is discussed. The probl...
Elking, Dennis M
2016-08-15
New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. The expressions are based on Cartesian tensors with arbitrary multipole rank. The standard method for rotating Cartesian tensor multipoles and calculating torque is to first represent the tensor with n indexes and 3(n) redundant components. In this work, new expressions for directly rotating the unique (n + 1)(n + 2)/2 Cartesian tensor multipole components Θpqr are given by introducing Cartesian tensor rotation matrix elements X(R). A polynomial expression and a recursion relation for X(R) are derived. For comparison, the analogous rotation matrix for spherical tensor multipoles are the Wigner functions D(R). The expressions for X(R) are used to derive simple equations for torque and atomic force. The torque and atomic force equations are applied to the geometry optimization of small molecule crystal unit cells. In addition, a discussion of computational efficiency as a function of increasing multipole rank is given for Cartesian tensors. © 2016 Wiley Periodicals, Inc. PMID:27349179
Nuclear fission and the widths of the isoscalar giant multipole resonances
The dissipative collective motion in nuclei is investigated within the Fermi-liquid model. In the case of large-amplitude collective motion, the macroscopic equations for the nuclear shape parameter are derived from the pressure tensor, the velocity field, and the requisition of motion for the nuclear density. The approach is used both for the description of induced symmetric nuclear fission and isoscalar giant multipole resonances in nuclei. The widths of giant quadrupole resonances are calculated with the obtained value of the viscosity coefficient. The calculated widths are about two times smaller than the experimental values. Therefore, the width of a giant multipole resonance is formed not only by ordinary two-body viscosity but also by a nondissipative contribution that absents on the definition of the dissipative energy during the nuclear descent from the fission barrier
Correlation between the glass transition temperatures and multipole moments for polymers
By carrying out density functional theory (DFT) calculations for 60 polyvinyls, polyethylenes and polymethacrylates repeating units at the B3LYP/6-31G(d) level, two quantum chemical descriptors, the molecular traceless quadrupole moment Θ, the molecular average hexadecapole moment Φ, are obtained and used to predict the glass transition temperature (Tg). A physically meaningful quantitative structure-property relationship (QSPR) model having correlation coefficient 0.953 for the training set and 0.952 for the test set is generated using multiple linear stepwise regression analysis. It suggests that the model obtained here can predict the Tg values of polymers and provide theoretical guidance for polymeric molecular designs. Compared with the existing QSPR models, the proposed model with only two multipole moment descriptors is most simple. This paper encourages the further application of multipole moments to the QSPR studies for polymers
Rapid modelling of the redshift-space power spectrum multipoles for a masked density field
Wilson, M J; Taylor, A N; de la Torre, S
2015-01-01
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' generalisation 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 $10^3-10^4$ 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 VIPERS PDR-1 release and discuss the validity of this technique for wide-angle surveys.
We address multipole surface solitons occurring at the interface between a linear medium and a nonlocal nonlinear medium. We show the impact of nonlocality, the propagation constant, and the linear index difference of two media on the properties of the surface solitons. We find that there exist a threshold value of the degree of the nonlocality at the same linear index difference of two media, only when the degree of the nonlocality goes beyond the value, the multipole surface solitons can be stable. -- Highlights: ► We show the impact of nonlocality and the linear index difference of two media on the properties of the surface solitons. ► For the surface solitons, only when the degree of the nonlocality goes beyond a threshold value, they can be stable. ► The number of poles and the index difference of two media can all influence the threshold value.
Method of reducing multipole content in a conductor assembly during manufacture
Meinke, Rainer
2016-05-24
A method for manufacture of a conductor assembly. The assembly is of the type which, when conducting current, generates a magnetic field or in which, in the presence of a changing magnetic field, a voltage is induced. In an example embodiment one or more first coil rows are formed. The assembly has multiple coil rows about an axis with outer coil rows formed about inner coil rows. A determination is made of deviations from specifications associated with the formed one or more first coil rows. One or more deviations correspond to a magnitude of a multipole field component which departs from a field specification. Based on the deviations, one or more wiring patterns are generated for one or more second coil rows to be formed about the one or more first coil rows. The one or more second coil rows are formed in the assembly. The magnitude of each multipole field component that departs from the field specification is offset.
Real-space quadrature: A convenient, efficient representation for multipole expansions
Rogers, David M.
2015-02-01
Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson's operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation.
Rodríguez Fernández, Ángel
2014-01-01
In the last decades, the interesting features behind the exotic orderings of materials have attracted the attention of many scientists. This new physics can be related to the magnetic and charge multipoles defined by a few electrons around the atomic core in the valence states. The uses of x-rays and neutrons techniques, due to the huge development of large facilities as synchrotrons and spallation sources, have revealed many of these behaviours. In the case of synchrotron sources, photon...
Multiple-type solutions for multipole interface solitons in thermal nonlinear media
Ma, Xuekai; Yang, Zhenjun; Lu, Daquan; Hu, Wei
2011-01-01
We address the existence of multipole interface solitons in one-dimensional thermal nonlinear media with a step in the linear refractive index at the sample center. It is found that there exist two types of solutions for tripole and quadrupole interface solitons. The two types of interface solitons have different profiles, beam widths, mass centers, and stability regions. For a given propagation constant, only one type of interface soliton is proved to be stable, while the other type can also...
Anisotropic Coarse-Grained Model for Proteins Based On Gay–Berne and Electric Multipole Potentials
Shen, Hujun; LI Yan; Ren, Pengyu; Zhang, Dinglin; Li, Guohui
2014-01-01
Gay–Berne anisotropic potential has been widely used to evaluate the nonbonded interactions between coarse-grained particles being described as elliptical rigid bodies. In this paper, we are presenting a coarse-grained model for twenty kinds of amino acids and proteins, based on the anisotropic Gay–Berne and point electric multipole (EMP) potentials. We demonstrate that the anisotropic coarse-grained model, namely GBEMP model, is able to reproduce many key features observed from experimental ...
Polarizable Atomic Multipole X-Ray Refinement: Hydration Geometry and Application to Macromolecules
Fenn, Timothy D.; Schnieders, Michael J; Brunger, Axel T.; Pande, Vijay S.
2010-01-01
We recently developed a polarizable atomic multipole refinement method assisted by the AMOEBA force field for macromolecular crystallography. Compared to standard refinement procedures, the method uses a more rigorous treatment of x-ray scattering and electrostatics that can significantly improve the resultant information contained in an atomic model. We applied this method to high-resolution lysozyme and trypsin data sets, and validated its utility for precisely describing biomolecular elect...
The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.
Shi, Yue; Xia, Zhen; Zhang, Jiajing; Best, Robert; Wu, Chuanjie; Ponder, Jay W; Ren, Pengyu
2013-01-01
Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in various chemical and physical environments. The atomic multipole electrostatic parameters for each amino acid residue type are derived from high-level gas phase quantum mechanical calculations via a consistent and extensible protocol. Molecular polarizability is modeled via a Thole-style damped interactive induction model based upon distributed atomic polarizabilities. Inter- and intramolecular polarization is treated in a consistent fashion via the Thole model. The intramolecular polarization model ensures transferability of electrostatic parameters among different conformations, as demonstrated by the agreement between QM and AMOEBA electrostatic potentials, and dipole moments of dipeptides. The backbone and side chain torsional parameters were determined by comparing to gas-phase QM (RI-TRIM MP2/CBS) conformational energies of dipeptides and to statistical distributions from the Protein Data Bank. Molecular dynamics simulations are reported for short peptides in explicit water to examine their conformational properties in solution. Overall the calculated conformational free energies and J-coupling constants are consistent with PDB statistics and experimental NMR results, respectively. In addition, the experimental crystal structures of a number of proteins are well maintained during molecular dynamics (MD) simulation. While further calculations are necessary to fully validate the force field, initial results suggest the AMOEBA polarizable multipole force field is able to describe the structure and energetics of peptides and proteins, in both gas-phase and solution environments. PMID:24163642
Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond
Svendsen, H.; Overgaard, J.; Busselez, R.; Arnaud, B.; Rabiller, P.; Kurita, A.; Nishibori, E.; Sakata, M.; Takata, M.; Iversen, B. B.
2010-01-01
Accurate structure factors are extracted from synchrotron powder diffraction data measured on crystalline diamond based on a novel multipole model division of overlapping reflection intensities. The approach limits the spherical-atom bias in structure factors extracted from overlapping powder data...... between experiment and theory, and the study therefore demonstrates that synchrotron powder diffraction can indeed provide accurate structure-factor values based on data measured in minutes with limited sample preparation. Thus, potential systematic errors such as extinction and twinning commonly...
Anesa Maolod Omar Al-Najeh
2012-07-01
Full Text Available The packet loss has become an important issue to the research community, which needs to be addressed. In FMIPv6, Packet losses are significantly related to the handover latency and buffer size used for packet buffering. In the case of increased handover latency or decreased buffer size, packet losses will be increased. To solve the problem, we propose an adaptive packet buffering (APT algorithm based on priority of packets and traffic throughput in layer 3 (L3 were the packets are buffered by the predefined rule in the new access point during handover. This algorithm is designed to reduce packet loss in FMIPv6 and high level of throughput and low delay can be achieved through the proposed technique. To achieve a fair comparison with Adaptive Buffer Limit Tuning (ALT algorithm, we have implemented the APT algorithm in Omnet++ along with the FMIPv6 to develop the model and the algorithm. The results of the simulation study show that the proposed algorithm can reduce the packet loss as well as the delay.
Brad Thomas Townsley
2015-05-01
Full Text Available Next Generation Sequencing (NGS is driving rapid advancement in biological understanding and RNA-sequencing (RNA-seq has become an indispensable tool for biology and medicine. There is a growing need for access to these technologies although preparation of NGS libraries remains a bottleneck to wider adoption. Here we report a novel method for the production of strand specific RNA-seq libraries utilizing inherent properties of double-stranded cDNA to capture and incorporate a sequencing adapter. Breath Adapter Directional sequencing (BrAD-seq reduces sample handling and requires far fewer enzymatic steps than most available methods to produce high quality strand-specific RNA-seq libraries. The method we present is optimized for 3-prime Digital Gene Expression (DGE libraries and can easily extend to full transcript coverage shotgun (SHO type strand-specific libraries and is modularized to accommodate a diversity of RNA and DNA input materials. BrAD-seq offers a highly streamlined and inexpensive option for RNA-seq libraries.
Gniewek, Piotr
2016-01-01
The conventional surface integral formula $J_{\\rm surf}[\\Phi]$ and an alternative volume integral formula $J_{\\rm var}[\\Phi]$ are used to compute the asymptotic exchange splitting of the interaction energy of the hydrogen atom and a proton employing the primitive function $\\Phi$ in the form of its truncated multipole expansion. Closed-form formulas are obtained for the asymptotics of $J_{\\rm surf}[\\Phi_N]$ and $J_{\\rm var}[\\Phi_N]$, where $\\Phi_N$ is the multipole expansion of $\\Phi$ truncated after the $1/R^N$ term, $R$ being the internuclear separation. It is shown that the obtained sequences of approximations converge to the exact results with the rate corresponding to the convergence radius equal to 2 and 4 when the surface and the volume integral formulas are used, respectively. When the multipole expansion of a truncated, $K$th order polarization function is used to approximate the primitive function the convergence radius becomes equal to unity in the case of $J_{\\textrm{var}}[\\Phi]$. At low order the ...
From Mie to Fresnel through effective medium approximation with multipole contributions
The Mie theory gives the exact solution to scattering from spherical particles while the Fresnel theory provides the solution to optical behavior of multilayer thin film structures. Often, the bridge between the two theories to explain the behavior of materials such as nanoparticles in a host dielectric matrix, is done by effective medium approximation (EMA) models which exclusively rely on the dipolar response of the scattering objects. Here, we present a way to capture multipole effects using EMA. The effective complex dielectric function of the composite is derived using the Clausius–Mossotti relation and the multipole coefficients of the approximate Mie theory. The optical density (OD) of the dielectric slab is then calculated using the Fresnel approach. We have applied the resulting equation to predict the particle size dependent dipole and quadrupole behavior for spherical Ag nanoparticles embedded in glass matrix. This dielectric function contains the relevant properties of EMA and at the same time predicts the multipole contributions present in the single particle Mie model. (papers)
Application of EEG multipole model in the diagnosis of Alzheimer's disease
无
2008-01-01
In order to find the electroencephalogram (EEG) characteristic parameters typical of Alzheimer's disease (AD) and explore an effective diagnostic method, a new mobile current multipole model was proposed to simulate the AD patient's cortical dipole source activities.The indicators of goodness of fit (GOF) and DtononD (DD) were calculated from EEG samples to evaluate the performance of this model. Relevant results showed that this multipole model with higher GOF values and larger DD change well fitted the pathological electrical activities of cortical neurons aroused by AD's extended sulcus and gyrus in the cerebral cortex. Meanwhile, the products of DD mean & standard variance were found in a clear linear correlation with the diagnostic data of mini-mental state examination (MMSE) used in AD clinics. Furthermore, by tracing this multipole model's indicators in typical patients and contrasting with the functional magnetic resonance image (fMRI) as AD progressed, we suggested that the DD index may be suitable for monitoring the AD developments as a new diagnostic parameter.
Coherent-state multipole moments in electron-hydrogen impact excitation
We present results of various model calculations for the density-matrix elements of hydrogen excited by electron impact. These density-matrix elements are discussed in terms of expectation values of physically understandable observable multipole moment operators and their time derivatives, thereby enabling us to isolate and understand central features of the collision dynamics hidden in the off-diagonal density-matrix elements. The strengths and weaknesses of these various scattering models, including plane-wave Born, distorted-wave Born, Glauber, classical trajectory, quasiclassical close-coupling, and close-coupling approximations are pointed out. The effects of angular momentum barriers, the impulsive nature of excitation, the mixing and splitting of degenerate energy eigenstates of the final state manifold, and the various ranges and times of the interactions occurring durng the collision are described. We observe that perturbative scattering models are inappropriate to describe certain of these multipole, even at very high energies. Experiments which determine these multipole-moment parameters are discussed
Pseudoparticle Multipole Method A Simple Method to Implement High-Accuracy Treecode
Kawai, A; Kawai, Atsushi; Makino, Junichiro
2000-01-01
In this letter we describe the pseudoparticle multipole method (P2M2), a new method to express multipole expansion by a distribution of pseudoparticles. We can use this distribution of particles to calculate high order terms in both the Barnes-Hut treecode and FMM. The primary advantage of P2M2 is that it works on GRAPE. GRAPE is a special-purpose hardware for the calculation of gravitational force between particles. Although the treecode has been implemented on GRAPE, we could handle terms only up to dipole, since GRAPE can calculate forces from point-mass particles only. Thus the calculation cost grows quickly when high accuracy is required. With P2M2, the multipole expansion is expressed by particles, and thus GRAPE can calculate high order terms. Using P2M2, we implemented an arbitrary-order treecode on GRAPE-4. Timing result shows GRAPE-4 accelerates the calculation by a factor between 10 (for low accuracy) to 150 (for high accuracy). Even on general-purpose programmable computers, our method offers the ...
Brusa, M; Cresci, G; Schramm, M; Delvecchio, I; Lanzuisi, G; Mainieri, V; Mignoli, M; Zamorani, G; Berta, S; Bongiorno, A; Comastri, A; Fiore, F; Kakkad, D; Marconi, A; Rosario, D; Contini, T; Lamareille, F
2016-01-01
Outflows are invoked in co-evolutionary models to link the growth of SMBH and galaxies through feedback phenomena, and from the analysis of both galaxies and Active Galactic Nuclei (AGN) samples at z$\\sim1-3$, it is becoming clear that powerful winds are quite common in AGN hosts. High-resolution and high S/N observations are needed in order to uncover the physical properties of the wind through kinematics analysis. We exploited VIMOS, SINFONI and Subaru/IRCS Adaptive Optics data to study the kinematics properties on the scale the host galaxy of XID5395, a luminous, X-ray obscured Starburst/Quasar merging system at z$\\sim1.5$ detected in the XMM-COSMOS field, and associated with an extreme [O II] emitter (EW$\\sim200$ \\AA). We mapped, for the first time, at high resolution the kinematics of the [O III] and H$\\alpha$ line complexes and linked them with the [O II] emission. The high spatial resolution achieved allowed us to resolve all the components of the SB-QSO system. Our analysis with a resolution of few kp...
HP-FASS: A Hybrid Parallel Fast Acoustic Scattering Solver. CMMSE-09
López Fernández, Jesús A.; López Portugués, Miguel; Taboada Varela, José Manuel; Rice, Henry J.; Obelleiro, Fernando
2011-01-01
Abstract Acoustic scattering problems may be accurately posed in terms of the Boundary Elements Method (BEM). Nevertheless, the solution of the linear system of equations produced by the BEM usually requires huge computational resources which limits its applicability. The use of efficient solvers in combination with parallel programming may considerably increase the scope of application of the BEM. In this work, a hybrid parallel implementation of the Fast Multipole Method (FMM) us...
Couch, Sean M; Flocke, Norbert
2013-01-01
Self-gravity computation by multipole expansion is a common approach in problems such as core-collapse and Type Ia supernovae, where single large condensations of mass must be treated. The standard formulation of multipole self-gravity suffers from two significant sources of error, which we correct in the formulation presented in this article. The first source of error is due to the numerical approximation that effectively places grid cell mass at the central point of the cell, then computes the gravitational potential at that point, resulting in a convergence failure of the multipole expansion. We describe a new scheme that avoids this problem by computing gravitational potential at cell faces. The second source of error is due to sub-optimal choice of location for the expansion center, which results in angular power at high multipole $l$ values in the gravitational field, requiring a high --- and expensive --- value of multipole cutoff \\lmax. By introducing a global measure of angular power in the gravitati...
Report of the SSC workshop on distributed multipole correction coils. Task force report
Sah, R. [ed.
1988-01-01
The SSC Workshop on Distributed Multipole Correction Coils was held at Brookhaven National Laboratory on October 13 and 14, 1987. This Workshop was organized by the SSC Central Design Group, and its purpose was to discuss the present status of specifications, designs, and R&D plans for distributed, actively-powered multipole correction coils for the SSC. The Workshop was organized into four consecutive sessions to discuss the following topics: requirements for distributed correction coils, distributed connection coil designs, materials issues, and plans for future R&D. The following conclusions were drawn from the workshop: Accelerator physics considerations indicate that distributed multipole correction coils represent a feasible and flexible method to correct magnetic field errors in the SSC. Considerable progress has been made by Brookhaven National Laboratory in collaboration with industry to develop a possible fabrication technique for distributed correction coils. This technique consists of imbedding superconducting wire in a flexible plastic substrate. Its feasibility for the SSC still needs to be demonstrated. BNL has presented a preliminary plan for the necessary R&D. A successful technique has been developed to manufacture distributed correction coils for HERA. The coil performance is excellent. As yet, no plan has been proposed to study this type of correction coil for the SSC. The results from an experiment to study radiation damage to organic materials, although still preliminary, am providing guidance in selecting the most radiation resistant materials to use in correction coils. The test samples in this experiment were subjected to much larger radiation doses than expected at the SSC. Considerable information on radiation damage is available in the literature.
Multipole-field stabilization of the rotational instability in a theta pinch. I
A theoretical analysis based on the magnetohydrodynamic approximation is carried out on the effect of multipole-field suppression of the rotational instabilities excited in a high-β plasma column. The multipole field is assumed not to penetrate into the plasma column but to exert magnetic pressure on its boundary surface in order to suppress the distortion of the plasma column. Analytical theory, which takes into account only the effects of the fundamental wave, gives the stability criterion for the n = 2 mode as B/sub s/> or =B/sub s/,c = 1/2 (m-1)-1/sup //2r/sub s/Vertical BarΩVertical Bar(μ0 rho0)1/sup //2, where r/sub s/, rho0, and Ω are the radius, mass density, and rotational angular velocity of the plasma column, respectively, 2m the order of the multipole field, B/sub s/ the field strength at radius r/sub s/ in the vacuum state, and μ0 the permeability of vacuum. Numerical calculations including the effects of the waves parasitic to the fundamental wave support the stability criterion for hexapole (m = 3) and octopole (m = 4) fields. For quadrupole (m = 2) fields, it is shown that the stable range of B/sub s/ is limited between 0.841 B/sub s/,c and 0.856 B/sub s/,c, where B/sub s/,c is the analytical threshold for m = 2
The influence of zero-point vibrations on multipole moments of rare earth nuclei
The influence of the zero-point quadrupole-hexadecapole vibrations on multipole moments and mean square radii for rare earth nuclei was investigated. The Born-Oppenheimer approximation was used to separate collective and intrinsic motion. The macroscopic-microscopic method in the potential energy part and cranking model in the kinetic energy part was used to construct the collective Hamiltonian. The intrinsic motion was described in terms of Nilsson single-particle potential and BCS theory. Systematic improvement to static calculations was achieved. (orig.)
Magnetic design and measurement of nonlinear multipole magnets for the APT beam expander system
Barlow, D.B.; Shafer, R.E.; Martinez, R.P. [Los Alamos National Lab., NM (United States); Walstrom, P.L. [Northrop Grumman Corp., Princeton, NJ (United States); Kahn, S.; Jain, A.; Wanderer, P. [Brookhaven National Lab., Upton, NY (United States)
1997-10-01
Two prototype nonlinear multipole magnets have been designed for use in the 800-MeV beam test of the APT beam-expansion concept at LANSCE. The iron-dominated magnets each consist of three independent coils, two for producing a predominantly octupole field with a tunable duodecapole component, and one for canceling the residual quadrupole field. Two such magnets, one for shaping each transverse plane, are required to produce a rectangular, uniform beam current density distribution with sharp edges on the APT target. This report will describe the magnetic design of these magnets, along with field measurements, and a comparison to the magnetic design.
Stability properties of a toroidal z-pinch in an external magnetic multipole field
MHD stability of m=1, axisymmetric, external modes of a toroidal z-pinch immersed in an external multipole field (Extrap configuration) is studied. The description includes the effects of a weak toroidicity, a non-circular plasma cross-section and the influence of induced currents in the external conductors. It is found that the non-circularity of the plasma cross-section always has a destabilizing effect but that the m=1 mode can be stabilized by the external feedback if the non-circularity is small. (author)
Spin-multipole effects in binary black holes and the test-body limit
Vines, Justin; Steinhoff, Jan
2016-01-01
We discuss the Hamiltonian for the conservative dynamics of generic-orbit arbitrary-mass-ratio spinning binary black holes, at the leading post-Newtonian orders at each order in an expansion in spins, to all orders in the spins. The leading-order couplings can all be obtained from a map to the motion of a test black hole (a test body with the spin-induced multipoles of a Kerr black hole) in the Kerr spacetime, as is confirmed with direct post-Newtonian calculations for arbitrary mass ratios. ...
Spin-multipole effects in binary black holes and the test-body limit
Vines, Justin
2016-01-01
We discuss the Hamiltonian for the conservative dynamics of generic-orbit arbitrary-mass-ratio spinning binary black holes, at the leading post-Newtonian orders at each order in an expansion in spins, to all orders in the spins. The leading-order couplings can all be obtained from a map to the motion of a test black hole (a test body with the spin-induced multipoles of a Kerr black hole) in the Kerr spacetime, as is confirmed with direct post-Newtonian calculations for arbitrary mass ratios. Furthermore, all of the couplings can be "deduced" from those of a pole-dipole test body in Kerr.
A formalism is presented that enables the calculation of atomic charge and current densities in Russel-Saunders states of free atoms and ions in terms of scalar and vector spherical harmonics. The electric and magnetic fields generated by the multipole components of charge and current distributions are easily calculated. They are found to have the same multipolarity as their generating sources and Maxwell's equations are satisfied component by component. Calculations of these fields for hydrogen-like atoms and specific transition-metal and rare-earth ions are presented using realistic analytic radial wave functions.
Ayuel, K.; de Châtel, P. F.
2009-05-01
A formalism is presented that enables the calculation of atomic charge and current densities in Russel-Saunders states of free atoms and ions in terms of scalar and vector spherical harmonics. The electric and magnetic fields generated by the multipole components of charge and current distributions are easily calculated. They are found to have the same multipolarity as their generating sources and Maxwell's equations are satisfied component by component. Calculations of these fields for hydrogen-like atoms and specific transition-metal and rare-earth ions are presented using realistic analytic radial wave functions.
Search for astrophysical point sources with IceCube using a multipole analysis
The search for astrophysical point sources of high energy neutrinos is one of the key tasks the IceCube Neutrino Observatory was set up for. Beside the direct search looking for temporal or spatial clustering of measured neutrino directions, a multipole analysis is another promising method to detect a point source signal. Therefor, the sky map of arrival directions is expanded in spherical harmonics. A large number of point sources, which individually are too weak to be detected, would leave a characteristic imprint on the spectrum of observed expansion coefficients. This talk presents the application of this analysis to the data taken with IceCube in its 79-string configuration.
Connection between Lense–Thirring precession, Ernst potential and Thorne multipoles
For stationary axially symmetric spacetimes we find a simple expression for the Lense–Thirring precession in terms of two scalar quantities, the real and imaginary parts of the Ernst potential. Its weak-field approximation is expressed in terms of Thorne multipoles and used to compute the major non-spherical contributions to the precession of a gyroscope orbiting around the Earth. We reproduce previously known results and give a new estimation for non-spherical contributions. We believe the present work has important applications in the interpretation of approximate as well as exact solutions of Einstein field equations. (paper)
Goldstein, M. E.
1975-01-01
A closed-form solution for the sound radiation from multipole sources imbedded in an infinite cylindrical jet with an arbitrary velocity profile is obtained. It is valid in the limit where the wavelength is large compared with the jet radius. Simple formulae for the acoustic pressure field due to convected point sources are also obtained. The results show (in a simple way) how the mean flow affects the radiation pattern from the sources. For convected lateral quadrupoles it causes the exponent of the Doppler factor multiplying the far-field pressure signal to be increased from the value of 3 used by Lighthill to 5.
Multipole lenses with implicit poles and with harmonic distribution of current density in a coil
General theory of the multipole lense with implicit poles is presented. The thickness of lense coil is finite. Current density distribution in the coil cross section is harmonic in the azimuth direction and arbitrary in the radial one. The calculation of yoke contribution in the lence field is given. Two particular lense variants differing from each other in the method of current density radial distribution are considered and necessary calculated relations for the lense with and without yoke ar presented. A comparative analysis of physical and technological peculiarities of these lenses is performed
Multiple-type solutions for multipole interface solitons in thermal nonlinear media
Ma Xuekai; Yang Zhenjun; Lu Daquan; Hu Wei [Laboratory of Photonic Information Technology, South China Normal University, Guangzhou 510631 (China)
2011-09-15
We address the existence of multipole interface solitons in one-dimensional thermal nonlinear media with a step in the linear refractive index at the sample center. It is found that there exist two types of solutions for tripole and quadrupole interface solitons. The two types of interface solitons have different profiles, beam widths, mass centers, and stability regions. For a given propagation constant, only one type of interface soliton is proved to be stable, while the other type can also survive over a long distance. In addition, three types of solutions for fifth-order interface solitons are found.
Multiple-type solutions for multipole interface solitons in thermal nonlinear media
Ma, Xuekai; Yang, Zhenjun; Lu, Daquan; Hu, Wei
2011-09-01
We address the existence of multipole interface solitons in one-dimensional thermal nonlinear media with a step in the linear refractive index at the sample center. It is found that there exist two types of solutions for tripole and quadrupole interface solitons. The two types of interface solitons have different profiles, beam widths, mass centers, and stability regions. For a given propagation constant, only one type of interface soliton is proved to be stable, while the other type can also survive over a long distance. In addition, three types of solutions for fifth-order interface solitons are found.
Multiple-type solutions for multipole interface solitons in thermal nonlinear media
We address the existence of multipole interface solitons in one-dimensional thermal nonlinear media with a step in the linear refractive index at the sample center. It is found that there exist two types of solutions for tripole and quadrupole interface solitons. The two types of interface solitons have different profiles, beam widths, mass centers, and stability regions. For a given propagation constant, only one type of interface soliton is proved to be stable, while the other type can also survive over a long distance. In addition, three types of solutions for fifth-order interface solitons are found.
The isoscalar and isovector collective multipole excitations in exotic nuclei are studied in the framework of a fully self-consistent relativistic continuum random phase approximation (RCRPA). In this method the contribution of the continuum spectrum to nuclear excitations is treated exactly by the single particle Green's function. Different from the cases in stable nuclei, there are strong low-energy excitations in neutron-rich nuclei and proton-rich nuclei. The neutron or proton excess pushes the centroid of the strength function to lower energies and increases the fragmentation of the strength distribution. The effect of treating the contribution of continuum exactly is also discussed. (authors)
Fast polynomial approach to calculating wake fields
In the computation of transverse wake field effects in accelerators, it is necessary to compute expressions of the form given in equations (1). It is usually desired to compute this a large number of times, the values of zi and xi being different at each iteration, other quantities remaining the same. The problem in practical applications is that the computational work grows as Nm2. Thus even using parallel computation to achieve speedup, the elapsed time to obtain a result still increases linearly with Nm. The authors introduce here an approximate method of evaluating the sum in (1) whose computational work increases only as NmlogNm. It involves some significant initial computation which does not have to be repeated at each subsequent iteration. The basis of the approach is to replace the individual contributions of a group of distant macroparticles with a local series expansion. In this respect it is similar in spirit to the so called fast multipole method
Magnetic field analysis for superferric accelerator magnets using elliptic multipoles and advantages
Full text: FAIR (Facility for Antiproton and Ion Research) will build a set of accelerators and storage rings at GSI. Some of them transport charged particle beams of elliptical cross section. Two-dimensional magnetic field calculations as well as magnetic measurements provide precise field information, which is used to improve the properties of the machines using numerical simulations. We develop elliptical multipoles fulfilling Laplace's equation, which enable us to describe the field within the whole aperture consistently. This requires to find a complete set of particular solutions. This selection is not so obvious since the Laplacian in elliptic coordinates has different properties as compared to that of polar coordinates. We illustrate the advantage of this data representation on the FEM calculations performed during the magnet development along with an approach to measure such fields using rotating coils. The derivation of the field representation in elliptic coordinates from the field data measured on circles necessitates the conversion from circular to elliptic multipoles and the solution of overdetermined systems of equations for the expansions coefficients. (author)
Magnetic multipole cylinders from mould-injection Nd2Fe14B plastic bonded magnets (abstract)
Nicolaides, G. K.; Niarchos, D.; Tsamakis, D.; Koubouros, I.; Mitsis, A.
1996-04-01
Mould injection Nd2Fe14B magnetic material of density ρ˜4 g/cc and of an energy product (BH)max˜4 MGOe, has been pressed into the form of cylindrical segments in order to investigate the possibility of preparing cylindrical magnetic multipoles which could be used as magnetic gears. The obtained cylindrical bonded magnet segments have a length of 3 cm and an angle width of φ=90° or φ=45°. These segments are easily magnetized along a radial direction at the angle φ/2, using a conventional electromagnet at a magnetic field of 2 T. Subsequently, the opposite magnetized segments are combined and bonded together with ultrasonic technique. The final result of the above procedure is the formation of a magnetic multipole cylinder which could be used as a magnetic gear. Here, except the preparation technique, we report the maximum torque applied versus the magnetization M of the poles and the distance between the gears. The dependence of the applied torque on the rotational frequency is also examined.
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.
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
Polarizable atomic multipole x-ray refinement: hydration geometry and application to macromolecules.
Fenn, Timothy D; Schnieders, Michael J; Brunger, Axel T; Pande, Vijay S
2010-06-16
We recently developed a polarizable atomic multipole refinement method assisted by the AMOEBA force field for macromolecular crystallography. Compared to standard refinement procedures, the method uses a more rigorous treatment of x-ray scattering and electrostatics that can significantly improve the resultant information contained in an atomic model. We applied this method to high-resolution lysozyme and trypsin data sets, and validated its utility for precisely describing biomolecular electron density, as indicated by a 0.4-0.6% decrease in the R- and R(free)-values, and a corresponding decrease in the relative energy of 0.4-0.8 Kcal/mol/residue. The re-refinements illustrate the ability of force-field electrostatics to orient water networks and catalytically relevant hydrogens, which can be used to make predictions regarding active site function, activity, and protein-ligand interaction energies. Re-refinement of a DNA crystal structure generates the zigzag spine pattern of hydrogen bonding in the minor groove without manual intervention. The polarizable atomic multipole electrostatics model implemented in the AMOEBA force field is applicable and informative for crystal structures solved at any resolution. PMID:20550911
Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications
Sihvola, Ari [Helsinki University of Technology (Finland)
2005-03-11
'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{exclamation_point} 'It can'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
Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.
2016-01-01
We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370
Multipole and field uniformity tailoring of a 750 MHz rf dipole
Delayen, Jean R. [JLAB, Old Dominion University; Castillo, Alejandro [JLAB, Old Dominion University
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 dependency 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.
Real-space quadrature: A convenient, efficient representation for multipole expansions
Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson’s operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation
Real-space quadrature: A convenient, efficient representation for multipole expansions
Rogers, David M., E-mail: davidrogers@usf.edu [University of South Florida, 4202 E. Fowler Ave., CHE 205, Tampa, Florida 33620 (United States)
2015-02-21
Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson’s operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation.
Real-space quadrature: a convenient, efficient representation for multipole expansions.
Rogers, David M
2015-02-21
Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem-completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson's operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation. PMID:25701996
A novel polyphase multipole square-wave permanent magnet motor drive for electric vehicles
Chan, C.C.; Jiang, J.Z.; Chen, G.H.; Wang, X.Y. (Univ. of Hong Kong (Hong Kong). Dept. of Electrical and Electronics Engineering); Chau, K.T. (Hong Kong Polytechnic, Kowloon (Hong Kong). Dept. of Electrical Engineering)
A novel high-power-density permanent-magnet (PM) motor drive for electric vehicles (EV's) is proposed. The motor is a polyphase multipole square-wave PM motor, which can be classified as a kind of PM brushless dc motor. The distinct features of the proposed motor as compared to those of the conventional PM brushless dc motor are as follows. First, the multipole magnetic circuit arrangement enables the minimization of the magnetic yoke, resulting in the reduction of motor volume and weight. Second, the coil span is purposely designed to be equal to one slot pitch, thus saving in the amount of copper used. Third, by using a fractional number of slots per pole per phase, the arrangement of the numbers of poles and slots is so unique that the magnetic force between the stator and the rotor at any rotating position is uniform, hence eliminating the cogging torque that usually occurs in PM motors. Finally, the motor can be controlled to operate at a constant torque region and a constant power region with field weakening, thus both high starting torque and high cruising speed can be achieved. Therefore, as the proposed motor drive possesses the distinct advantages of high power density, high efficiency, and superior dynamic performance, it is very suitable for EV applications. A prototype of a five-phase 22-pole 5-kW motor drive has been designed for an experimental EV.
Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications
'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 can'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
Formation of large-area heavy-ion uniform beams using multipole magnets in TIARA, JAEA
A research and development study related to the uniformization of the transverse beam intensity distribution using multipole magnets is ongoing for a new uniform irradiation method of proton and heavy-ion beams at an azimuthally-varying-field cyclotron facility of TIARA in Japan Atomic Energy Agency. In this method, a uniform transverse intensity distribution can be formed by folding the tail of a Gaussian initial distribution into the inside with a nonlinear focusing force of multipole magnets. First, a Gaussian-like intensity distribution was generated from a complicated distribution of the beam accelerated by the cyclotron through multiple Coulomb scattering using a thin foil at a low loss of beam energy. The response of Gafchromic radiochromic films to various ion beams was investigated for the evaluation of the size and uniformity in a large-area beam. Large-area (>100 cm2) uniform distributions have been attained for argon ion beams of 4 ∼ 13 MeV/u, as well as for proton beams of 10 MeV. Heavy-ion uniform beams will be applied to research and production of functional materials. (author)
Pyzer-Knapp, Edward O; Thompson, Hugh P G; Day, Graeme M
2016-08-01
We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370
Yücel, Abdulkadir C.
2013-07-01
Reliable and effective wireless communication and tracking systems in mine environments are key to ensure miners\\' productivity and safety during routine operations and catastrophic events. The design of such systems greatly benefits from simulation tools capable of analyzing electromagnetic (EM) wave propagation in long mine tunnels and large mine galleries. Existing simulation tools for analyzing EM wave propagation in such environments employ modal decompositions (Emslie et. al., IEEE Trans. Antennas Propag., 23, 192-205, 1975), ray-tracing techniques (Zhang, IEEE Tran. Vehic. Tech., 5, 1308-1314, 2003), and full wave methods. Modal approaches and ray-tracing techniques cannot accurately account for the presence of miners and their equipments, as well as wall roughness (especially when the latter is comparable to the wavelength). Full-wave methods do not suffer from such restrictions but require prohibitively large computational resources. To partially alleviate this computational burden, a 2D integral equation-based domain decomposition technique has recently been proposed (Bakir et. al., in Proc. IEEE Int. Symp. APS, 1-2, 8-14 July 2012). © 2013 IEEE.
In two dimensions, it is convenient to represent the coordinates (x, y) of particles as complex numbers z = x + iy. The energy of interaction of two point charges q1 and q 2 at points represented by the complex numbers z1 and z2 is then since the natural logarithm is the singular part of the Greens function for the two-dimensional Laplace equation. In performing molecular dynamics and Monte Carlo simulations of neutral systems of charged particles or of point dipoles, it is necessary to compute the energies and forces of an infinite periodic system in which the N charges or dipoles at the points z1 ... zn resident in the primary (usually square) simulation cell are replicated everywhere in the plane
Electromagnetic multipole moments of elementary spin-1/2, 1, and 3/2 particles
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
Fast Link Adaptation for MIMO-OFDM
Jensen, Tobias Lindstrøm; Kant, Shashi; Wehinger, Joachim;
2010-01-01
novel MI-based LQM and compare the PER-estimation accuracy obtained with this LQM with that resulting from using other LQMs bymeans of Comprehensive Monte Carlo simulations. Search methods for the MCS in the class that is most suitable for a given channel state are presented. An algorithm for obtaining...
The superconformal algebras of meromorphic vector fields with multipoles, the central extension and the relevant abelian differential of the third kind on the super-Riemann sphere are constructed. The background of our theory concerns with the interaction of closed superstrings. (orig.)
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
Linear estimation of cold magnetic field quality based on warm multipole measurements is being considered as a quality control method for SSC production magnet acceptance. To investigate prediction uncertainties associated with such an approach, axial-scan (Z-scan) magnetic measurements from SSC Prototype Collider Dipole Magnets (CDM's) have been studied. This paper presents a preliminary evaluation of the explanatory ability of warm measurement multipole variation on the prediction of cold magnet multipoles. Two linear estimation methods are presented: least-squares regression, which uses the assumption of fixed independent variable (xi) observations, and the measurement error model, which includes measurement error in the xi's. The influence of warm multipole measurement errors on predicted cold magnet multipole averages is considered. MSD QA is studying warm/cold correlation to answer several magnet quality control questions. How well do warm measurements predict cold (2kA) multipoles? Does sampling error significantly influence estimates of the linear coefficients (slope, intercept and residual standard error)? Is estimation error for the predicted cold magnet average small compared to typical variation along the Z-Axis? What fraction of the multipole RMS tolerance is accounted for by individual magnet prediction uncertainty?
Neutron diffraction study of multipole order in light rare-earth hexaborides
J-M Mignat; J Robert; M Sera; F Iga
2008-10-01
Multipole interactions are known to play a central role in the unconventional properties of light rare-earth hexaborides and especially of CeB6. Substituting Pr at the Ce sites has the effect of enhancing exchange interactions and changing the symmetry of the local 4f charge distribution, while suppressing the octupole moment. The (,) magnetic phase diagrams of the CePr1-B6 compounds display a large variety of ordered phases involving magnetic and/or charge degrees of freedom. Here we focus on the compound Ce0.7Pr0:3B6, which is located slightly beyond the Pr concentration where the antiferroquadrupolar phase of pure CeB6 is suppressed in zero field. The different magnetic structures have been characterized by neutron diffraction and their origin is discussed in connection with recent non-resonant X-ray results by Tanaka et al.
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.
Ultracold neutron accumulation in a superfluid-helium converter with magnetic multipole reflector
Zimmer, O.; Golub, R.
2015-07-01
We analyze the accumulation of ultracold neutrons (UCNs) in a superfluid-helium converter vessel surrounded by a magnetic multipole reflector. We solved the spin-dependent rate equation, employing formulas valid for adiabatic spin transport of trapped UCNs in mechanical equilibrium. Results for saturation UCN densities are obtained in dependence of order and strength of the multipolar field. The addition of magnetic storage to neutron optical potentials can increase the density and energy of the low-field-seeking UCNs produced and serves to mitigate the effects of wall losses on the source performance. It also can provide a highly polarized sample of UCNs without need to polarize the neutron beam incident on the converter. This work was performed in preparation of the UCN source project SuperSUN at the Institut Laue-Langevin.
Multipole plasmons and their disappearance in few-nanometer silver nanoparticles
Raza, Søren; Christensen, Thomas; Di Vece, Marcel; Wubs, Martijn; Mortensen, N Asger; Stenger, Nicolas
2015-01-01
In electron energy-loss spectroscopy (EELS) of individual silver nanoparticles encapsulated in silicon nitride, we observe besides the usual dipole resonance an additional surface plasmon (SP) resonance corresponding to higher angular momenta. We even observe both resonances for nanoparticle radii as small as 4 nm, where previously only the dipole resonance was assumed to play a role. Electron beams positioned outside of the particles mostly excite the dipole mode, but the higher-order resonance can even dominate the dipole peak when exciting at the particle surface, the usual choice for maximal EELS signal. This allows us to study the radius dependence of both resonances separately. For particles smaller than 4 nm, the higher-order SP mode disappears, in agreement with generalized nonlocal optical response (GNOR) theory, while the dipole resonance blueshift exceeds GNOR predictions. Unlike in optical spectra, multipole surface plasmons are important in EELS spectra even of ultra-small metallic nanoparticles.
Multipole plasmons and their disappearance in few-nanometre silver nanoparticles
Raza, Søren; Kadkhodazadeh, Shima; Christensen, Thomas;
2015-01-01
Electron energy-loss spectroscopy can be used for detailed spatial and spectral characterization of optical excitations in metal nanoparticles. In previous electron energy-loss experiments on silver nanoparticles with radii smaller than 20 nm, only the dipolar surface plasmon resonance was assumed...... to play a role. Here, applying electron energy-loss spectroscopy to individual silver nanoparticles encapsulated in silicon nitride, we observe besides the usual dipole resonance an additional surface plasmon resonance corresponding to higher angular momenta for nanoparticle radii as small as 4 nm...... theoretical predictions. Unlike in optical spectra, multipole surface plasmons are important in electron energy-loss spectra even of ultrasmall metallic nanoparticles....
Higher-order multipole amplitude measurement in $\\pspto\\g\\chict$
,
2011-01-01
Using $106\\times10^6$ $\\psp$ events collected with the BESIII detector at the BEPCII storage ring, the higher-order multipole amplitudes in the radiative transition $\\pspto\\g\\chictto\\g\\pp/\\g\\kk$ are measured. A fit to the $\\chict$ production and decay angular distributions yields $M2=0.046\\pm0.010\\pm0.013$ and $E3=0.015\\pm0.008\\pm0.018$, where the first errors are statistical and the second systematic. Here $M2$ denotes the normalized magnetic quadrupole amplitude and $E3$ the normalized electric octupole amplitude. This measurement shows evidence for the existence of the $M2$ signal with $4.4\\sigma$ statistical significance and is consistent with the charm quark having no anomalous magnetic moment.
Grooved multi-pole magnetic gratings for high-resolution positioning systems
Xu, Zhi-Hao; Tseng, Bin-Hui; Chang, Ching; Wang, Sheng-Ching; Chin, Tsung-Shune; Sung, Cheng-Kuo
2015-06-01
Magnetic encoders are much advantageous for precision positioning specifically under harsh environments. The finer the magnetic pole-pitches of the magnetic scale in a magnetic encoder the higher the resolution of the encoder. In this paper, a grooved multi-pole magnetic grating (MPMG) is substituted for conventional non-structured magnetic scale. A MPMG with pole-pitch of 200 µm was prepared by photo-lithography and electro-deposition. Simulation was first done to attain the relationship among magnetic flux density, magnetic properties of electrodeposited alloy layers, magnetizing directions and the grating dimensions. The MPMG can be fully magnetized for use by just a single pulse in a solenoid coil. Magnetic properties were investigated in which CoNiP layers were electrodeposited under various current densities. Measured magnetic flux densities versus grating heights, magnetizing directions and detection gaps on magnetized MPMG validate the applicability of ultra-fine pitched MPMG.
Mihalcea, Bogdan M; Stan, Cristina; Visan, Gina T; Ganciu, Mihai; Filinov, Vladimir E; Lapitsky, Dmitry S; Deputatova, Lidiya V; Syrovatka, Roman A
2015-01-01
Trapping of microparticles and aerosols is of great interest for physics and chemistry. We report microparticle trapping in multipole linear Paul trap geometries, operating under Standard Ambient Temperature and Pressure (SATP) conditions. An 8-electrode and a 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 the microparticles, depending on the a.c. trapping frequency and particle specific charge ratio. The electric potential within the trap was mapped using the electrolytic tank method. Particle dynamics was 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.
Axion like particle Dark Matter may explain the anomalies of CMB multipoles
Yang, Qiaoli
2015-01-01
The axions/axion like particles (ALPs) may constitute a major part of dark matter. Recently people find that dark matter axions can thermalize and form a Bose-Einstein condensate with a long correlation length. For the ALPs the thermalization scenario is similar. We find that for the linear regime of perturbation the ALPs are different from ordinary point like dark matter particles with additional terms in the first order velocity equation. The differences are especially compelling for string theory originated lighter ALPs. Also, axions/ALPs with a long correlation length can be thermalized due to gravitational interaction therefore alter the entropy of large scale. We propose that it can be a mechanism to explain the anomalies of Cosmic Microwave Background (CMB) multipoles if the mass of ALPs is order of $10^{-29}{\\rm eV}$.
Effects of the tensor force on the multipole response in finite nuclei
We present a thorough analysis of the effects of tensor interaction on the multipole response of magic nuclei, using the fully self-consistent random phase approximation model with Skyrme interactions. We disentangle the modifications to the static mean field induced by the tensor terms, and the specific features of the residual particle-hole (p-h) tensor interaction, for quadrupole (2+), octupole (3-), and also magnetic dipole (1+) responses. It is pointed out that the tensor force has a larger effect on the magnetic dipole states than on the natural parity states 2+ and 3-, especially at the mean-field level. Perspectives for a better assessment of the tensor force parameters are discussed.
Magnetic Compton scattering using the elliptical multipole wiggler at sector 11-ID-B
Magnetic Compton scattering has been used to measure the momentum distribution of magnetic electrons in several materials. The polarization and frequency tunability of the elliptical multipole wiggler (EMW) makes it an ideal source for magnetic Compton scattering experiments. We performed the measurements using 50, 100 and 150 keV photons simultaneously. The EMW was operated at Ky=14 (Ec=32 keV) and Kx between 0.6 and 1.03. The degree of circular polarization was about 80% or higher. The sample was mounted between the poles of an electromagnet in a field of 0.8 T. The majority of Compton scattering measurements were performed by switching the magnet polarity. Tests using an iron foil target gave a similar magnetic Compton profile by either switching the magnetic field or the photon helicity. A 9-element Ge solid state detector array was used for detection
Impact of low-energy multipole excitations and pygmy resonances on radiative nucleon captures
Tsoneva N.
2016-01-01
Full Text Available Nuclear structure theory is considered in the framework of the development of a microscopic model for nucleon-capture astrophysical implementations. In particular, microscopically obtained strength functions from a theoretical method incorporating density functional theory and quasiparticle-phonon model are used as an input in a statistical reaction model. The approach is applied in systematic investigations of the impact of low-energy multipole excitations and pygmy resonances on dipole photoabsorption and radiative neutronand proton-capture cross sections of key s- and r-process nuclei which is discussed in comparison with the experiment. For the cases of the short-lived isotopes 89Zr and 91Mo theoretical predictions are made.
Impact of low-energy multipole excitations and pygmy resonances on radiative nucleon captures
Tsoneva, N.; Lenske, H.
2016-01-01
Nuclear structure theory is considered in the framework of the development of a microscopic model for nucleon-capture astrophysical implementations. In particular, microscopically obtained strength functions from a theoretical method incorporating density functional theory and quasiparticle-phonon model are used as an input in a statistical reaction model. The approach is applied in systematic investigations of the impact of low-energy multipole excitations and pygmy resonances on dipole photoabsorption and radiative neutronand proton-capture cross sections of key s- and r-process nuclei which is discussed in comparison with the experiment. For the cases of the short-lived isotopes 89Zr and 91Mo theoretical predictions are made.
Viewer preferences for adaptive playout
Deshpande, Sachin
2013-03-01
Adaptive media playout techniques are used to avoid buffer underflow in a dynamic streaming environment where the available bandwidth may be fluctuating. In this paper we report human perceptions from audio quality studies that we performed on speech and music samples for adaptive audio playout. Test methods based on ITU-R BS. 1534-1 recommendation were used. Studies were conducted for both slow playout and fast playout. Two scales - a coarse scale and a finer scale was used for the slow and fast audio playout factors. Results from our study can be used to determine acceptable slow and fast playout factors for speech and music content. An adaptive media playout algorithm could use knowledge of these upper and lower bounds on playback speeds to decide its adaptive playback schedule.
Robust Optimal Adaptive Control Method with Large Adaptive Gain
Nguyen, Nhan T.
2009-01-01
In the presence of large uncertainties, a control system needs to be able to adapt rapidly to regain performance. Fast adaptation is referred to the implementation of adaptive control with a large adaptive gain to reduce the tracking error rapidly. However, a large adaptive gain can lead to high-frequency oscillations which can adversely affect robustness of an adaptive control law. A new adaptive control modification is presented that can achieve robust adaptation with a large adaptive gain without incurring high-frequency oscillations as with the standard model-reference adaptive control. The modification is based on the minimization of the Y2 norm of the tracking error, which is formulated as an optimal control problem. The optimality condition is used to derive the modification using the gradient method. The optimal control modification results in a stable adaptation and allows a large adaptive gain to be used for better tracking while providing sufficient stability robustness. Simulations were conducted for a damaged generic transport aircraft with both standard adaptive control and the adaptive optimal control modification technique. The results demonstrate the effectiveness of the proposed modification in tracking a reference model while maintaining a sufficient time delay margin.
Fast Algorithm for k-nearest Neighbor Serch Based on Adaptive Spatial Sphere%基于自适应空间球的k最近邻域快速搜索算法
杨军; 林岩龙; 王小鹏; 张瑞峰
2014-01-01
To solve the problem of low efficiency and weak stability in searching k-nearest neighbor of large-scale scattered point cloud by using sphere space,a fast algorithm for finding k-nearest neighbor is presented. Point cloud data is divided into different sub-space by using partition strategy without considering k. The radius of the initial dynamic sphere is determined adaptively based on the approximate density of sampling points in a sub-space. The k-nearest candidate points are searched by the circumscribed cube of a dynamic sphere. When the number of k-nearest candidate points does not meet the requirement, or the search fails, the expanding extent is ensured by a circumsphere of the circumscribed cube. Experimental results show that the proposed method obtains not only a better performance and automation than the existing algorithms,but also a quite stability for the anticipated point number of the sub-space and sampling density.%利用空间球搜索大规模点云数据k邻域存在速率慢和稳定性差的问题，为此，提出一种新的k邻域快速搜索算法。利用与k无关的分块策略对点云进行分块，使用候选点所在子块内采样点的近似密度自适应确定候选点的初始动态球半径，应用动态球的外切立方体搜索k邻域候选点。当候选点数目不满足要求或搜索不成功时，采用候选点动态球外切立方体的外接球扩大搜索范围。实验结果表明，与已有算法相比，该算法的k邻域搜索效率明显提高，而且当子块内预设点数变化、采样密度提高时具有较强稳定性，自动化程度较高。
Bianco, D; Iudice, N Lo; Vesely, P; Andreozzi, F; De Gregorio, G; Porrino, A
2014-01-01
The multipole response of neutron rich O and Sn isotopes is computed in Tamm-Dancoff and random-phase approximations using the canonical Hartree-Fock-Bogoliubov quasi-particle basis. The calculations are performed using an intrinsic Hamiltonian composed of a $V_{lowk}$ potential, deduced from the CD-Bonn nucleon-nucleon interaction, corrected with phenomenological density dependent and spin-orbit terms. The effect of these two pieces on energies and multipole responses is discussed. The problem of removing the spurious admixtures induced by the center of mass motion and by the violation of the number of particles is investigated. The differences between the two theoretical approaches are discussed quantitatively. Attention is then focused on the dipole strength distribution, including the low-lying transitions associated to the pygmy resonance. Monopole and quadrupole responses are also briefly investigated. A detailed comparison with the available experimental spectra contributes to clarify the extent of val...
We present a modification of the wall formula for one body dissipation in order to include the effect of irregularity in the shape of the one body potential on the dissipation mechanism. We arrive at a dissipation rate which is a scaled version of the wall formula developed earlier by Blocki et al. We show that the scaling factor is determined by a measure of chaos in the single particle motion. As an illustration, we obtain this measure of chaos for particles in a multipole deformed cavity with a view to use the scaled wall formula to calculate the damping widths of multipole vibrations of the cavity wall. Considering the amplitudes of the vibrations typical of the giant resonances in nuclei, it is observed that the effect of the shape dependence is to strongly suppress the damping caused by the original wall formula. copyright 1996 The American Physical Society
Fast computation of general forward gravitation problems
Casenave, Fabien; Métivier, Laurent; Pajot-Métivier, Gwendoline; Panet, Isabelle
2016-07-01
We consider the well-known problem of the forward computation of the gradient of the gravitational potential generated by a mass density distribution of general 3D geometry. Many methods have been developed for given geometries, and the computation time often appears as a limiting practical issue for considering large or complex problems. In this work, we develop a fast method to carry out this computation, where a tetrahedral mesh is used to model the mass density distribution. Depending on the close- or long-range nature of the involved interactions, the algorithm automatically switches between analytic integration formulae and numerical quadratic formulae, and relies on the Fast Multipole Method to drastically increase the computation speed of the long-range interactions. The parameters of the algorithm are empirically chosen for the computations to be the fastest possible while guarantying a given relative accuracy of the result. Computations that would load many-core clusters for days can now be carried out on a desk computer in minutes. The computation of the contribution of topographical masses to the Earth's gravitational field at the altitude of the GOCE satellite and over France are proposed as numerical illustrations of the method.
Jahn, Kornél; Bokor, Nándor
2013-02-01
A technique using vector Slepian harmonics and vector Slepian multipole fields is presented for a general treatment of the inverse problem of high numerical aperture focusing. A prescribed intensity distribution or electric field distribution in the focal volume is approximated using numerical optimization and the corresponding illuminating field at the entrance pupil is constructed. Three examples from the recent literature are chosen to illustrate the method.
Aznauryan, I. G.
2002-01-01
Two approaches for analysis of pion photo- and electroproduction on nucleons in the resonance energy region are checked at $Q^2=0$ using the results of GWU(VPI) partial-wave analysis of photoproduction data. The approaches are based on dispersion relations and unitary isobar model. Within dispersion relations good description of photoproduction multipoles is obtained up to $W=1.8 GeV$. Within unitary isobar model, modified with increasing energy by incorporation of Regge poles, and with unifi...
Bereau, Tristan; von Lilienfeld, O. Anatole
2014-01-01
We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and e...
Matsumoto, Kazunori; Motoki, Kentaro; Miyamoto, Masahiro; Uetani, Yasuhiro
1998-10-01
Effects of an improved multi-pole magnetic field on a plasma production generated by a polyphase ac glow discharge with multiple electrodes have been investigated. Conventional configuration of the multi-pole magnetic filed has been modified to suppress plasma losses at both ends of the chamber due to ExB drift motion. The modified multi-pole magnetic field has enabled us to produce a multiple magnetron-plasma at a considerably low pressure less than mTorr. The low temperature plasma has been widely used as the fine processing technology of a dry etching and as the thin film formation technology of a sputtering coating. Large-scale plasmas which can be generated at a low gas-pressure have been desired for more wider dry etching and greater sputter coating. The purpose of this study is to develop a large-scale and low-cost plasma generator by using a polyphase ac power source with the low frequency. In this session, we will present the experimental result as to a multiple magnetron-plasma generated in the modified twenty-four poles magnetic field by using the twenty-four-phase ac power source with the commercial electric power frequency of 60Hz. The ac power is supplied to twenty-four electrodes which are fixed to the water-cooled chamber-wall through sheet insulators so that the electrodes can be cooled indirectly.
Völlinger, C
2000-01-01
This note presents a scheme for compensating the persistent current multipole errors of the LHC dipoles by making the coil protection sheets from soft magnetic material of 0.5 mm thickness. The material properties assumed in this study are those of iron sheets with a very low content of impurities (99.99% pure Fe). The non-linearities in the upramp cycle on the b3 multipole component can be reduced by the factor of four (while decreasing the b5 variation by the factor of two. Using sheets of slightly different thicknesses offers a tuning possibility for the series magnet coils and can compensate deviations arising from cables of different suppliers. The calculation method is based on a semi-analytical hysteresis model for hard superconductors and an M(B) - iteration using the method of coupled boundary elements - finite elements (BEM - FEM). It is now possible to compute persistent current multipole errors of geometries with arbitrarily shaped iron yokes and thin layers of soft magnetic material such as tunin...
Petersen, Kjell Yngve; Søndergaard, Karin; Kongshaug, Jesper
2015-01-01
Adaptive LightingAdaptive lighting is based on a partial automation of the possibilities to adjust the colour tone and brightness levels of light in order to adapt to people’s needs and desires. IT support is key to the technical developments that afford adaptive control systems. The possibilities offered by adaptive lighting control are created by the ways that the system components, the network and data flow can be coordinated through software so that the dynamic variations are controlled i...
Multipole theory and the Hehl-Obukhov decomposition of the electromagnetic constitutive tensor
de Lange, O. L.; Raab, R. E.
2015-05-01
The Hehl-Obukhov decomposition expresses the 36 independent components of the electromagnetic constitutive tensor for a local linear anisotropic medium in a useful general form comprising seven macroscopic property tensors: four of second rank, two vectors, and a four-dimensional (pseudo)scalar. We consider homogeneous media and show that in semi-classical multipole theory, the first full realization of this formulation is obtained (in terms of molecular polarizability tensors) at third order (electric octopole-magnetic quadrupole order). The calculations are an extension of a direct method previously used at second order (electric quadrupole-magnetic dipole order). We consider in what sense this theory is independent of the choice of molecular coordinate origins relative to which polarizabilities are evaluated. The pseudoscalar (axion) observable is expressed relative to the crystallographic origin. The other six property tensors are invariant (with respect to an arbitrary choice of each molecular coordinate origin), or zero, at first and second orders. At third order, this invariance has to be imposed (by transformation of the response fields)—an aspect that is required by consideration of isotropic fluids and is consistent with the invariance of transmission phenomena in dielectrics. Alternative derivations of the property tensors are reviewed, with emphasis on the pseudoscalar, constraint-breaking, translational invariance, and uniqueness.
Usually it is accepted that the probabilities of the electric-multipole electron transitions are rapidly decreasing functions of their multipolarity. Therefore while calculating the probabilities of electronic transitions between the configurations of certain chosen parities, it seems sufficient to take into account the first nonzero term, i.e., to consider the electron transitions of lowest multipolarity permitted by the exact selection rules. This paper aims at verifying this assumption on the example of electric-octupole transitions in W24+ ion. For this purpose the large-scale multiconfiguration Hartree-Fock and Dirac-Fock calculations have been performed for the configurations [Kr]4d104f4 and [Kr]4d104f35s energy levels of W24+ ion. The relativistic corrections were taken into account in the quasirelativistic Breit-Pauli and fully relativistic Breit (taking into account QED effects) approximations. The role of correlation, relativistic, and QED corrections is discussed. Line strengths, oscillator strengths, and transition probabilities in Coulomb and Babushkin gauges are presented for E1 and E3 transitions among these levels.
Effects of foreign gases on H- formation in a magnetic multipole hydrogen plasma source
The effects of admixtures of argon and xenon and of nitrogen (for the purpose of comparison between atomic and molecular additives) to a given H2 base pressure are investigated with respect to the vibrational populations of hydrogen molecules in the electronic ground state, to the density of negative ions and to the electron energy distribution function (EEDF). This work aims to unravel the influence of the vibrational population distribution and the EEDF on the formation of negative hydrogen ions in the volume of a magnetic multipole plasma source. The admixtures of these foreign gases lead to a measurable state-specific decrease in the population of the high vibrational states of the H2 molecule. Higher states exhibit a clearly stronger decrease with increasing foreign gas partial pressure. The measured density of the negative ions decreases with increasing noble gas partial pressure, despite the fact that the low-energy fraction of the measured EEDF is modified such that the efficiency of ion formation by dissociative attachment is more favourable. The various measurements are compared for the case of the H2-Ar discharge, with a global model developed for the stationary plasma state. The decrease in the density of the negative ions with increasing argon admixture can be reproduced by the model with high accuracy on the basis of measured population distributions of the vibrationally excited H2 molecules and the measured EEDF
Oberberg, Moritz; Styrnoll, Tim; Ries, Stefan; Bienholz, Stefan; Awakowicz, Peter
2015-09-01
Reactive sputter processes are used for the deposition of hard, wear-resistant and non-corrosive ceramic layers such as aluminum oxide (Al2O3) . A well known problem is target poisoning at high reactive gas flows, which results from the reaction of the reactive gas with the metal target. Consequently, the sputter rate decreases and secondary electron emission increases. Both parameters show a non-linear hysteresis behavior as a function of the reactive gas flow and this leads to process instabilities. This work presents a new control method of Al2O3 deposition in a multiple frequency CCP (MFCCP) based on plasma parameters. Until today, process controls use parameters such as spectral line intensities of sputtered metal as an indicator for the sputter rate. A coupling between plasma and substrate is not considered. The control system in this work uses a new plasma diagnostic method: The multipole resonance probe (MRP) measures plasma parameters such as electron density by analyzing a typical resonance frequency of the system response. This concept combines target processes and plasma effects and directly controls the sputter source instead of the resulting target parameters.
Measuring our peculiar velocity on the CMB with high-multipole off-diagonal correlations
Our peculiar velocity with respect to the CMB rest frame is known to induce a large dipole in the CMB. However, the motion of an observer has also the effect of distorting the anisotropies at all scales, as shown by Challinor and Van Leeuwen (2002), due to aberration and Doppler effects. We propose to measure independently our local motion by using off-diagonal two-point correlation functions for high multipoles. We study the observability of the signal for temperature and polarization anisotropies. We point out that Planck can measure the velocity β with an error of about 30% and the direction with an error of about 20°. This method constitutes a cross-check, which can be useful to verify that our CMB dipole is due mainly to our velocity or to disentangle the velocity from other possible intrinsic sources. Although in this paper we focus on our peculiar velocity, a similar effect would result also from other intrinsic vectorial distortion of the CMB which would induce a dipolar lensing. Measuring the off-diagonal correlation terms is therefore a test for a preferred direction on the CMB sky
WinTRAX: A raytracing software package for the design of multipole focusing systems
Grime, G.W., E-mail: g.grime@surrey.ac.uk [University of Surrey, Ion Beam Centre, Advanced Technology Institute, Guildford GU2 7XH (United Kingdom)
2013-07-01
The software package TRAX was a simulation tool for modelling the path of charged particles through linear cylindrical multipole fields described by analytical expressions and was a development of the earlier OXRAY program (Grime and Watt, 1983; Grime et al., 1982) [1,2]. In a 2005 comparison of raytracing software packages (Incerti et al., 2005) [3], TRAX/OXRAY was compared with Geant4 and Zgoubi and was found to give close agreement with the more modern codes. TRAX was a text-based program which was only available for operation in a now rare VMS workstation environment, so a new program, WinTRAX, has been developed for the Windows operating system. This implements the same basic computing strategy as TRAX, and key sections of the code are direct translations from FORTRAN to C++, but the Windows environment is exploited to make an intuitive graphical user interface which simplifies and enhances many operations including system definition and storage, optimisation, beam simulation (including with misaligned elements) and aberration coefficient determination. This paper describes the program and presents comparisons with other software and real installations.
Nuclear photonics at ultra-high counting rates and higher multipole excitations
Thirolf, P G; Filipescu, D; Gernhäuser, R; Günther, M M; Jentschel, M; Marginean, N; Pietralla, N
2012-01-01
Next-generation gamma beams 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 10^13 gamma/sec. The beam structure as presently foreseen for MEGa-Ray and ELI-NP builds upon a structure of macro-pulses (~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 the target, resulting in an instantaneous photon flux of about 10^18 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~10^-6. Thus level-selective spectroscopy of higher multipole excitations will become accessible with good contrast for the first time...
Solar oscillations, gravitational multipole field of the sun and the solar neutrino paradox
The visual solar oblateness work and the solar seismological work on the internal rotation of the sun are reviewed and their implications concerning the static gravitational multipole moments of the sun are discussed. The results of this work are quite deviant which is indicative of the complexity encountered and of the necessity for continued studies based on a diverse set of observing techniques. The evidence for phase-locked internal gravity modes of the sun is reviewed and the implications for the solar neutrino paradox are discussed. The rather unique possibility for testing the relevance which the phase-locked gravity modes have to this paradox is also noted. The oscillating perturbations in the sun's gravitational field produced by the classified internal gravity modes and the phase-locked modes are inferred from the observed temperature eigenfunctions. Strains of the order of 10-18 in gravitational radiation detectors based on free masses are inferred for frequencies near 100 μHz. The relevance of these findings is discussed in terms of a new technique for use in solar seismological studies and of producing background signals in studies of low-frequency gravitational radiation. 64 refs., 2 figs
A Polarizable Multipole-based Force Field for Dimethyl and Trimethyl Phosphate
Zhang, Changsheng; Lu, Chao; Wang, Qiantao; Ponder, Jay W.; Ren, Pengyu
2016-01-01
Using quantum mechanical studies and liquid phase simulations, the AMOEBA force field for dimethylphosphate (DMP) ion and trimethylphosphate (TMP) has been developed. Based on ab initio calculations, it was found that ion binding and the solution environment significantly impact both the molecular geometry and the energy differences between conformations. Atomic multipole moments are derived from MP2/cc-pVQZ calculations of methyl phosphates at several conformations with accounting of chemical environments. Many-body polarization is handled via a Thole-style induction model using distributed atomic polarizabilities. Van der Waals parameters of phosphate and oxygen atoms are determined by fitting to the quantum mechanical interaction energy curves for water with DMP or TMP. Additional stretch-torsion and angle-torsion coupling terms were introduced in order to capture asymmetry in P-O bond lengths and angles due to the generalized anomeric effect. The resulting force field for DMP and TMP is able to accurately describe both the molecular structure and conformational energy surface, including bond and angle variations with conformation, as well as interaction of both species with water and metal ions. The force field was further validated for liquid TMP by comparing simulated density and heat of vaporization values with experimental data. Structural insight obtained from MD simulations indicates liquid TMP is stabilized by both nonpolar-nonpolar contacts and hydrogen bonding. The current study is an important step towards developing the AMOEBA model for nucleic acids. PMID:26574325
Polarizable atomic multipole X-ray refinement: weighting schemes for macromolecular diffraction.
Fenn, T D; Schnieders, M J
2011-11-01
In the past, weighting between the sum of chemical and data-based targets in macromolecular crystallographic refinement was based on comparing the gradients or Hessian diagonal terms of the two potential functions. Here, limitations of this scheme are demonstrated, especially in the context of a maximum-likelihood target that is inherently weighted by the model and data errors. In fact, the congruence between the maximum-likelihood target and a chemical potential based on polarizable atomic multipole electrostatics evaluated with Ewald summation has opened the door to a transferable static weight. An optimal static weight is derived from first principles and is demonstrated to be transferable across a broad range of data resolutions in the context of a recent implementation of X-ray crystallographic refinement using the polarizable AMOEBA force field and it is shown that the resulting models are balanced with respect to optimizing both R(free) and MolProbity scores. Conversely, the classical automatic weighting scheme is shown to lead to underfitting or overfitting of the data and poor model geometry. The benefits of this approach for low-resolution diffraction data, where the need for prior chemical information is of particular importance, are also highlighted. It is demonstrated that this method is transferable between low- and high-resolution maximum-likelihood-based crystallographic refinement, which proves for the first time that resolution-dependent parameterization of either the weight or the chemical potential is unnecessary. PMID:22101822
Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent
Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu
2011-10-01
A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into "alpha helix" and "beta sheet" structures. The 5-residue polyalanine displays a substantial increase in the "beta strand" fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling.
WinTRAX: A raytracing software package for the design of multipole focusing systems
The software package TRAX was a simulation tool for modelling the path of charged particles through linear cylindrical multipole fields described by analytical expressions and was a development of the earlier OXRAY program (Grime and Watt, 1983; Grime et al., 1982) [1,2]. In a 2005 comparison of raytracing software packages (Incerti et al., 2005) [3], TRAX/OXRAY was compared with Geant4 and Zgoubi and was found to give close agreement with the more modern codes. TRAX was a text-based program which was only available for operation in a now rare VMS workstation environment, so a new program, WinTRAX, has been developed for the Windows operating system. This implements the same basic computing strategy as TRAX, and key sections of the code are direct translations from FORTRAN to C++, but the Windows environment is exploited to make an intuitive graphical user interface which simplifies and enhances many operations including system definition and storage, optimisation, beam simulation (including with misaligned elements) and aberration coefficient determination. This paper describes the program and presents comparisons with other software and real installations
Li, Guohui; Shen, Hujun; Zhang, Dinglin; Li, Yan; Wang, Honglei
2016-02-01
In this work, we attempt to apply a coarse-grained (CG) model, which is based on anisotropic Gay-Berne and electric multipole (EMP) potentials, to the modeling of nucleic acids. First, a comparison has been made between the CG and atomistic models (AMBER point-charge model) in the modeling of DNA and RNA hairpin structures. The CG results have demonstrated a good quality in maintaining the nucleic acid hairpin structures, in reproducing the dynamics of backbone atoms of nucleic acids, and in describing the hydrogen-bonding interactions between nucleic acid base pairs. Second, the CG and atomistic AMBER models yield comparable results in modeling double-stranded DNA and RNA molecules. It is encouraging that our CG model is capable of reproducing many elastic features of nucleic acid base pairs in terms of the distributions of the interbase pair step parameters (such as shift, slide, tilt, and twist) and the intrabase pair parameters (such as buckle, propeller, shear, and stretch). Finally, The GBEMP model has shown a promising ability to predict the melting temperatures of DNA duplexes with different lengths. PMID:26717419
Conceptual design of a 14 cm period multipole wiggler at PLS
Kim, D E; Suh, H S; Jung, Y G; Park, K H; Bak, J S
2001-01-01
Pohang Accelerator Laboratory (PAL) is developing a Multipole Wiggler (MPW14) to utilize high-energy (approx 30 keV) synchrotron radiation at Pohang Light Source (PLS). The MPW14 is a hybrid type device to achieve maximum peak flux density and wide beam fan that can serve two beamlines. PLS MPW14-features period of 14 cm, minimum gap of 14 mm, 20 full field periods, maximum flux density of 2.06 T, 3036 mm total magnetic structure length. The peak flux density is very high compared to the other wigglers of similar pole gap and the period. The high peak flux density was possible using advanced new magnetic material and optimized magnetic geometry. The MPW14 will be used in hard X-ray region of 10-30 keV at 2.5 GeV electron energy. The total photon power is 6.19 kW and the peak power density is 5.27 kW/mrad sup 2 at 2.5 GeV, 150 mA. To withstand the big magnetic loads with minimum deflections, C-type support structure is designed with detailed FEM structural analysis. In this article, all the conceptual design e...
Multipole Gravitational Lensing and High-order Perturbations on the Quadrupole Lens
Chu, Z; Li, G L; Kang, X
2013-01-01
An arbitrary surface mass density of gravitational lens can be decomposed into multipole components. We simulate the ray-tracing for the multipolar mass distribution of generalized SIS (Singular Isothermal Sphere) model, based on the deflection angles which are analytically calculated. The magnification patterns in the source plane are then derived from inverse shooting technique. As have been found, the caustics of odd mode lenses are composed of two overlapping layers for some lens models. When a point source traverses such kind of overlapping caustics, the image numbers change by \\pm 4, rather than \\pm 2. There are two kinds of images for the caustics. One is the critical curve and the other is the transition locus. It is found that the image number of the fold is exactly the average value of image numbers on two sides of the fold, while the image number of the cusp is equal to the smaller one. We also focus on the magnification patterns of the quadrupole (m = 2) lenses under the perturbations of m = 3, 4 ...
MULTIPOLE GRAVITATIONAL LENSING AND HIGH-ORDER PERTURBATIONS ON THE QUADRUPOLE LENS
Chu, Z.; Lin, W. P. [Key Laboratory for Research in Galaxies and Cosmology, Shanghai Astronomical Observatory, Chinese Academy of Sciences, 80 Nandan Road, Shanghai 200030 (China); Li, G. L. [Purple Mountain Observatory, 2 West Beijing Road, Nanjing 210008 (China); Kang, X., E-mail: chuzhe@shao.ac.cn, E-mail: linwp@shao.ac.cn [Partner Group of MPI for Astronomy, Purple Mountain Observatory, 2 West Beijing Road, Nanjing 210008 (China)
2013-03-10
An arbitrary surface mass density of the gravitational lens can be decomposed into multipole components. We simulate the ray tracing for the multipolar mass distribution of the generalized Singular Isothermal Sphere model based on deflection angles, which are analytically calculated. The magnification patterns in the source plane are then derived from an inverse shooting technique. As has been found, the caustics of odd mode lenses are composed of two overlapping layers for some lens models. When a point source traverses this kind of overlapping caustics, the image numbers change by {+-}4, rather than {+-}2. There are two kinds of caustic images. One is the critical curve and the other is the transition locus. It is found that the image number of the fold is exactly the average value of image numbers on two sides of the fold, while the image number of the cusp is equal to the smaller one. We also focus on the magnification patterns of the quadrupole (m = 2) lenses under the perturbations of m = 3, 4, and 5 mode components and found that one, two, and three butterfly or swallowtail singularities can be produced, respectively. With the increasing intensity of the high-order perturbations, the singularities grow up to bring sixfold image regions. If these perturbations are large enough to let two or three of the butterflies or swallowtails make contact, then eightfold or tenfold image regions can be produced as well. The possible astronomical applications are discussed.
Stability of spherically symmetric, charged black holes and multipole moments for stationary systems
This dissertation is written in two parts. Part I deals with the question of stability of a spherically symmetric, charged black hole against scalar, electromagnetic, and gravitational perturbations. It consists of two papers written in collaboration with Igor D. Novikov, Vernon D. Sandberg and A.A. Starobinsky. In these papers the dynamical evolution of these perturbations on the interior of a Reissner-Nordstrom black hole is described. The instability of the hole's Cauchy horizon is discussed in detail in terms of the energy densities of the test fields as measured by a freely falling observer approaching the Cauchy horizon. It is concluded that the Cauchy horizon of the analytically extended Reissner-Nordstrom solution is highly unstable and not a physical feature of a realistic gravitational collapse. Part II of this dissertation addresses two problems closely connected with multipole structure of stationary, asymptotically flat spacetimes. It consists of two papers written in collaboration with Kip S. Thorne. The first one shows the equivalence of the moments defined by Kip S. Thorne and the moments defined by Robert Geroch and Richard Hansen. The second proves a conjecture by Kip S. Thorne: In the limit of ''slow'' motion, general relativistic gravity produces no changes whatsoever in the classical Euler equations of rigid body motion. This conjecture is proved by giving an algorithm for generating rigidly rotating solutions of Einstein's equation from nonrotating, static solutions
Stability of spherically symmetric, charged black holes and multipole moments for stationary systems
Gursel, H.Y.
1983-01-01
This dissertation is written in two parts. Part I deals with the question of stability of a spherically symmetric, charged black hole against scalar, electromagnetic, and gravitational perturbations. It consists of two papers written in collaboration with Igor D. Novikov, Vernon D. Sandberg and A.A. Starobinsky. In these papers the dynamical evolution of these perturbations on the interior of a Reissner-Nordstrom black hole is described. The instability of the hole's Cauchy horizon is discussed in detail in terms of the energy densities of the test fields as measured by a freely falling observer approaching the Cauchy horizon. It is concluded that the Cauchy horizon of the analytically extended Reissner-Nordstrom solution is highly unstable and not a physical feature of a realistic gravitational collapse. Part II of this dissertation addresses two problems closely connected with multipole structure of stationary, asymptotically flat spacetimes. It consists of two papers written in collaboration with Kip S. Thorne. The first one shows the equivalence of the moments defined by Kip S. Thorne and the moments defined by Robert Geroch and Richard Hansen. The second proves a conjecture by Kip S. Thorne: In the limit of ''slow'' motion, general relativistic gravity produces no changes whatsoever in the classical Euler equations of rigid body motion. This conjecture is proved by giving an algorithm for generating rigidly rotating solutions of Einstein's equation from nonrotating, static solutions.
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
We present a linear-scaling symmetry-adapted perturbation theory (SAPT) method that is based on an atomic orbital (AO) formulation of zeroth-order SAPT (SAPT0). The non-dispersive terms are realized with linear-scaling cost using both the continuous fast multipole method (CFMM) and the linear exchange (LinK) approach for integral contractions as well as our efficient Laplace-based coupled-perturbed self-consistent field method (DL-CPSCF) for evaluating response densities. The reformulation of the dispersion term is based on our linear-scaling AO Møller-Plesset second-order perturbation theory (AO-MP2) method, that uses our recently introduced QQR-type screening [S. A. Maurer, D. S. Lambrecht, J. Kussmann, and C. Ochsenfeld, J. Chem. Phys. 138, 014101 (2013)] for preselecting numerically significant energy contributions. Similar to scaled opposite-spin MP2, we neglect the exchange-dispersion term in SAPT and introduce a scaling factor for the dispersion term, which compensates for the error and at the same time accounts for basis set incompleteness effects and intramonomer correlation. We show in extensive benchmark calculations that the new scaled-dispersion (sd-)SAPT0 approach provides reliable results for small and large interacting systems where the results with a small 6-31G** basis are roughly comparable to supermolecular MP2 calculations in a triple-zeta basis. The performance of our method is demonstrated with timings on cellulose fragments, DNA systems, and cutouts of a protein-ligand complex with up to 1100 atoms on a single computer core
Staša Stropnik; Jana Kodrič
2013-01-01
Adaptive skills are defined as a collection of conceptual, social and practical skills that are learned by people in order to function in their everyday lives. They include an individual's ability to adapt to and manage her or his surroundings to effectively function and meet social or community expectations. Good adaptive skills promote individual's independence in different environments, whereas poorly developed adaptive skills are connected to individual's dependency and with g...
Das, Dilip
2015-07-01
There is a large class of problems in the field of fluid structure interaction where higher-order boundary conditions arise for a second-order partial differential equation. Various methods are being used to tackle these kind of mixed boundary-value problems associated with the Laplace's equation (or Helmholtz equation) arising in the study of waves propagating through solids or fluids. One of the widely used methods in wave structure interaction is the multipole expansion method. This expansion involves a general combination of a regular wave, a wave source, a wave dipole and a regular wave-free part. The wave-free part can be further expanded in terms of wave-free multipoles which are termed as wave-free potentials. These are singular solutions of Laplace's equation or two-dimensional Helmholz equation. Construction of these wave-free potentials and multipoles are presented here in a systematic manner for a number of situations such as two-dimensional non-oblique and oblique waves, three dimensional waves in two-layer fluid with free surface condition with higher order partial derivative are considered. In particular, these are obtained taking into account of the effect of the presence of surface tension at the free surface and also in the presence of an ice-cover modelled as a thin elastic plate. Also for limiting case, it can be shown that the multipoles and wave-free potential functions go over to the single layer multipoles and wave-free potential.
Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate.
Zhang, Changsheng; Lu, Chao; Wang, Qiantao; Ponder, Jay W; Ren, Pengyu
2015-11-10
Phosphate groups are commonly observed in biomolecules such as nucleic acids and lipids. Due to their highly charged and polarizable nature, modeling these compounds with classical force fields is challenging. Using quantum mechanical studies and liquid-phase simulations, the AMOEBA force field for dimethyl phosphate (DMP) ion and trimethyl phosphate (TMP) has been developed. On the basis of ab initio calculations, it was found that ion binding and the solution environment significantly impact both the molecular geometry and the energy differences between conformations. Atomic multipole moments are derived from MP2/cc-pVQZ calculations of methyl phosphates at several conformations with their chemical environments taken into account. Many-body polarization is handled via a Thole-style induction model using distributed atomic polarizabilities. van der Waals parameters of phosphate and oxygen atoms are determined by fitting to the quantum mechanical interaction energy curves for water with DMP or TMP. Additional stretch-torsion and angle-torsion coupling terms were introduced in order to capture asymmetry in P-O bond lengths and angles due to the generalized anomeric effect. The resulting force field for DMP and TMP is able to accurately describe both the molecular structure and conformational energy surface, including bond and angle variations with conformation, as well as interaction of both species with water and metal ions. The force field was further validated for TMP in the condensed phase by computing hydration free energy, liquid density, and heat of vaporization. The polarization behavior between liquid TMP and TMP in water is drastically different. PMID:26574325
Lin, Dejun
2015-09-01
Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green's function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4-16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A
Petersen, Kjell Yngve; Søndergaard, Karin; Kongshaug, Jesper
2015-01-01
Adaptive Lighting Adaptive lighting is based on a partial automation of the possibilities to adjust the colour tone and brightness levels of light in order to adapt to people’s needs and desires. IT support is key to the technical developments that afford adaptive control systems. The possibilities...... offered by adaptive lighting control are created by the ways that the system components, the network and data flow can be coordinated through software so that the dynamic variations are controlled in ways that meaningfully adapt according to people’s situations and design intentions. This book discusses...... distributed differently into an architectural body. We also examine what might occur when light is dynamic and able to change colour, intensity and direction, and when it is adaptive and can be brought into interaction with its surroundings. In short, what happens to an architectural space when artificial...
Hansen, Anca Daniela; Michalke, G.
2009-01-01
Emphasis in this paper is on the fault ride-through and grid support capabilities of multi-pole permanent magnet synchronous generator (PMSG) wind turbines with a full-scale frequency converter. These wind turbines are announced to be very attractive, especially for large offshore wind farms. A...... discussed by means of simulations with the use of a transmission power system generic model developed and delivered by the Danish Transmission System Operator Energinet.dk. The simulation results show how a PMSG wind farm equipped with an additional voltage control can help a nearby active stall wind farm...
Xu, Peijun; Shen, Hujun; Yang, Lu; Ding, Yang; Li, Beibei; Shao, Ying; Mao, Yingchen; Li, Guohui
2013-02-01
Coarse-grained studies of CH(3)SH, CH(3)CHO and CHCl(3) liquids, based on anisotropic Gay-Berne (GB) and electric multipole potentials (EMP), demonstrate that the coarse-grained model is able to qualitatively reproduce the results obtained from the atomistic model (AMOEBA polarizable force field) and allows for significant saving in computation time. It should be pointed out that the accuracy of the coarse-grained model is very sensitive to how well the anisotropic GB particle is defined and how satisfactorily the EMP sites are chosen. PMID:22961621
Bereau, Tristan; von Lilienfeld, O Anatole
2015-01-01
Accurate predictions of van der Waals forces require faithful models of dispersion, permanent and induced multipole-moments, as well as penetration and repulsion. We introduce a universal combined physics- and data-driven model of dispersion and multipole-moment contributions, respectively. Atomic multipoles are estimated "on-the-fly" for any organic molecule in any conformation using a machine learning approach trained on quantum chemistry results for tens of thousands of atoms in varying chemical environments drawn from thousands of organic molecules. Globally neutral, cationic, and anionic molecular charge states can be treated with individual models. Dispersion interactions are included via recently-proposed classical many-body potentials. For nearly one thousand intermolecular dimers, this approximate van der Waals model is found to reach an accuracy similar to that of state-of-the-art force fields, while bypassing the need for parametrization. Estimates of cohesive energies for the benzene crystal confi...
Fast polynomial approach to calculating wake fields
Goldstein, C.I.; Peierls, R.F. [Brookhaven National Lab., Upton, NY (United States). Dept. of Applied Science
1997-06-15
In the computation of transverse wake field effects in accelerators, it is necessary to compute expressions of the form given in equations (1). It is usually desired to compute this a large number of times, the values of z{sub i} and x{sub i} being different at each iteration, other quantities remaining the same. The problem in practical applications is that the computational work grows as N{sub m}{sup 2}. Thus even using parallel computation to achieve speedup, the elapsed time to obtain a result still increases linearly with N{sub m}. The authors introduce here an approximate method of evaluating the sum in (1) whose computational work increases only as N{sub m}logN{sub m}. It involves some significant initial computation which does not have to be repeated at each subsequent iteration. The basis of the approach is to replace the individual contributions of a group of distant macroparticles with a local series expansion. In this respect it is similar in spirit to the so called fast multipole method.
Petersen, Kjell Yngve; Søndergaard, Karin; Kongshaug, Jesper
2015-01-01
Adaptive Lighting Adaptive lighting is based on a partial automation of the possibilities to adjust the colour tone and brightness levels of light in order to adapt to people’s needs and desires. IT support is key to the technical developments that afford adaptive control systems. The possibilities...... offered by adaptive lighting control are created by the ways that the system components, the network and data flow can be coordinated through software so that the dynamic variations are controlled in ways that meaningfully adapt according to people’s situations and design intentions. This book discusses...... the investigations of lighting scenarios carried out in two test installations: White Cube and White Box. The test installations are discussed as large-scale experiential instruments. In these test installations we examine what could potentially occur when light using LED technology is integrated and...
Ivanov; Zhurova; Zhurov; Tanaka; Tsirelson
1999-12-01
The electron density and electrostatic potential of KNiF(3), nickel potassium trifluoride, were studied using multipole and orbital model treatment of the precision X-ray diffraction data measured by vacuum-camera-imaging plate and four-circle diffractometer methods. Different experimental methods lead to similar multipole and atomic displacement parameters and to qualitatively the same electron densities. Good agreement was also achieved for the Laplacians of the electron density and the electrostatic potentials. Some pitfalls of the vacuum-camera-imaging plate method that could be improved are discussed. PMID:10927434
Staša Stropnik
2013-02-01
Full Text Available Adaptive skills are defined as a collection of conceptual, social and practical skills that are learned by people in order to function in their everyday lives. They include an individual's ability to adapt to and manage her or his surroundings to effectively function and meet social or community expectations. Good adaptive skills promote individual's independence in different environments, whereas poorly developed adaptive skills are connected to individual's dependency and with greater need for control and help with everyday tasks. Assessment of adaptive skills is often connected to assessment of intellectual disability, due to the reason that the diagnosis of intellectual disability includes lower levels of achievements on standardized tests of intellectual abilities as well as important deficits in adaptive skills. Assessment of adaptive behavior is a part of standard assessment battery with children and adults with different problems, disorders or disabilities that affect their everyday functioning. This contribution also presents psychometric tools most regularly used for assessment of adaptive skills and characteristics of adaptive skills with individual clinical groups.
National Aeronautics and Space Administration — Advanced Diagnostics and Prognostics Testbed (ADAPT) Project Lead: Scott Poll Subject Fault diagnosis in electrical power systems Description The Advanced...
... page: //medlineplus.gov/ency/patientinstructions/000105.htm Fast food tips To use the sharing features on this ... fast food. When You Go to a Fast Food Restaurant Knowing the amount of calories, fat, and ...
Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A
General-relativistic deflection of light by mass, dipole, and quadrupole moments of the gravitational field of a moving massive planet in the solar system is derived in the approximation of the linearized Einstein equations. All terms of order 1 μas are taken into account, parametrized, and classified in accordance with their physical origin. The monopolar light-ray deflection, modulated by the radial Doppler effect, is associated with the total mass and radial velocity of the gravitating body. It displaces the apparent positions of stars in the sky plane radially away from the origin of the celestial coordinates associated with the planet. The dipolar deflection of light is due to a translational mismatch of the center of mass of the planet and the origin of the planetary coordinates caused by the inaccuracy of planetary ephemeris. It can also originate from the difference between the null cone for light and that for gravity that is not allowed in general relativity but can exist in some of the alternative theories of gravity. The dipolar gravity field pulls the apparent position of a star in the plane of the sky in both radial and orthoradial directions with respect to the origin of the coordinates. The quadrupolar deflection of light is caused by the physical oblateness, J2, of the planet, but in any practical experiment it will have an admixture of the translation-dependent quadrupole due to inaccuracy of planetary ephemeris. This leads to a bias in the estimated value of J2 that should be minimized by applying an iterative data reduction method designed to disentangle the different multipole moments and to fit out the translation-dependent dipolar and quadrupolar components of light deflection. The method of microarcsecond interferometric astrometry has the potential of greatly improving the planetary ephemerides, getting unbiased measurements of planetary quadrupoles, and of thoroughly testing the null-cone structure of the gravitational field and the speed
Schnieders, Michael J; Fenn, Timothy D; Pande, Vijay S
2011-04-12
Refinement of macromolecular models from X-ray crystallography experiments benefits from prior chemical knowledge at all resolutions. As the quality of the prior chemical knowledge from quantum or classical molecular physics improves, in principle so will resulting structural models. Due to limitations in computer performance and electrostatic algorithms, commonly used macromolecules X-ray crystallography refinement protocols have had limited support for rigorous molecular physics in the past. For example, electrostatics is often neglected in favor of nonbonded interactions based on a purely repulsive van der Waals potential. In this work we present advanced algorithms for desktop workstations that open the door to X-ray refinement of even the most challenging macromolecular data sets using state-of-the-art classical molecular physics. First we describe theory for particle mesh Ewald (PME) summation that consistently handles the symmetry of all 230 space groups, replicates of the unit cell such that the minimum image convention can be used with a real space cutoff of any size and the combination of space group symmetry with replicates. An implementation of symmetry accelerated PME for the polarizable atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field is presented. Relative to a single CPU core performing calculations on a P1 unit cell, our AMOEBA engine called Force Field X (FFX) accelerates energy evaluations by more than a factor of 24 on an 8-core workstation with a Tesla GPU coprocessor for 30 structures that contain 240 000 atoms on average in the unit cell. The benefit of AMOEBA electrostatics evaluated with PME for macromolecular X-ray crystallography refinement is demonstrated via rerefinement of 10 crystallographic data sets that range in resolution from 1.7 to 4.5 Å. Beginning from structures obtained by local optimization without electrostatics, further optimization using AMOEBA with PME electrostatics improved
A systematic study of Ca+ atomic properties is carried out using a high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the levels up to n=7. Recommended values and estimates of their uncertainties are provided for a large number of electric-dipole transitions. Electric-dipole scalar polarizabilities for the 5s, 6s, 7s, 8s, 4pj, 5pj, 3dj, and 4dj states and tensor polarizabilities for the 4p3/2, 5p3/2, 3dj, and 4dj states in Ca+ are calculated. Methods are developed to accurately treat the contributions from highly excited states, resulting in significant (factor of 3) improvement in the accuracy of the 3d5/2 static polarizability value, 31.8(3)a03, in comparison with the previous calculation [Arora et al., Phys. Rev. A 76, 064501 (2007).]. The blackbody radiation shift of the 4s-3d5/2 clock transition in Ca+ is calculated to be 0.381(4) Hz at room temperature, T=300 K. Electric-quadrupole 4s-nd and electric-octupole 4s-nf matrix elements are calculated to obtain the ground-state multipole E2 and E3 static polarizabilities. Excitation energies of the ns, np, nd, nf, and ng states with n≤ 7 in are evaluated and compared with experiment. Recommended values are provided for the 7p1/2, 7p3/2, 8p1/2, and 8p3/2 removal energies for which experimental measurements are not available. The hyperfine constants A are determined for the low-lying levels up to n=7. The quadratic Stark effect on hyperfine structure levels of 43Ca+ ground state is investigated. These calculations provide recommended values critically evaluated for their accuracy for a number of Ca+ atomic properties for use in planning and analysis of various experiments as well as theoretical modeling.
Lin, Dejun, E-mail: dejun.lin@gmail.com [Department of Biochemistry and Biophysics, University of Rochester Medical Center, Rochester, New York 14642 (United States)
2015-09-21
Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A
Lin, Dejun
2015-09-21
Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between the kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green's function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4-16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A
FAST: FAST Analysis of Sequences Toolbox
Travis J. Lawrence
2015-05-01
Full Text Available FAST (FAST Analysis of Sequences Toolbox provides simple, powerful open source command-line tools to filter, transform, annotate and analyze biological sequence data. Modeled after the GNU (GNU’s Not Unix Textutils such as grep, cut, and tr, FAST tools such as fasgrep, fascut, and fastr make it easy to rapidly prototype expressive bioinformatic workflows in a compact and generic command vocabulary. Compact combinatorial encoding of data workflows with FAST commands can simplify the documentation and reproducibility of bioinformatic protocols, supporting better transparency in biological data science. Interface self-consistency and conformity with conventions of GNU, Matlab, Perl, BioPerl, R and GenBank help make FAST easy and rewarding to learn. FAST automates numerical, taxonomic, and text-based sorting, selection and transformation of sequence records and alignment sites based on content, index ranges, descriptive tags, annotated features, and in-line calculated analytics, including composition and codon usage. Automated content- and feature-based extraction of sites and support for molecular population genetic statistics makes FAST useful for molecular evolutionary analysis. FAST is portable, easy to install and secure thanks to the relative maturity of its Perl and BioPerl foundations, with stable releases posted to CPAN. Development as well as a publicly accessible Cookbook and Wiki are available on the FAST GitHub repository at https://github.com/tlawrence3/FAST. The default data exchange format in FAST is Multi-FastA (specifically, a restriction of BioPerl FastA format. Sanger and Illumina 1.8+ FastQ formatted files are also supported. FAST makes it easier for non-programmer biologists to interactively investigate and control biological data at the speed of thought.
Multipole analysis of IceCube data to search for dark matter accumulated in the Galactic halo
Aartsen, M G; Adams, J; Aguilar, J A; Ahlers, M; Ahrens, M; Altmann, D; Anderson, T; Arguelles, C; Arlen, T C; Auffenberg, J; Bai, X; Barwick, S W; Baum, V; Beatty, J J; Tjus, J Becker; Becker, K -H; BenZvi, S; Berghaus, P; Berley, D; Bernardini, E; Bernhard, A; Besson, D Z; Binder, G; Bindig, D; Bissok, M; Blaufuss, E; Blumenthal, J; Boersma, D J; Bohm, C; Bos, F; Bose, D; Böser, S; Botner, O; Brayeur, L; Bretz, H -P; Brown, A M; Casey, J; Casier, M; Chirkin, D; Christov, A; Christy, B; Clark, K; Classen, L; Clevermann, F; Coenders, S; Cowen, D F; Silva, A H Cruz; Danninger, M; Daughhetee, J; Davis, J C; Day, M; de André, J P A M; De Clercq, C; De Ridder, S; Desiati, P; de Vries, K D; de With, M; DeYoung, T; Díaz-Vélez, J C; Dunkman, M; Eagan, R; Eberhardt, B; Eichmann, B; Eisch, J; Euler, S; Evenson, P A; Fadiran, O; Fazely, A R; Fedynitch, A; Feintzeig, J; Felde, J; Feusels, T; Filimonov, K; Finley, C; Fischer-Wasels, T; Flis, S; Franckowiak, A; Frantzen, K; Fuchs, T; Gaisser, T K; Gallagher, J; Gerhardt, L; Gier, D; Gladstone, L; Glüsenkamp, T; Goldschmidt, A; Golup, G; Gonzalez, J G; Goodman, J A; Góra, D; Grandmont, D T; Grant, D; Gretskov, P; Groh, J C; Groß, A; Ha, C; Haack, C; Ismail, A Haj; Hallen, P; Hallgren, A; Halzen, F; Hanson, K; Hebecker, D; Heereman, D; Heinen, D; Helbing, K; Hellauer, R; Hellwig, D; Hickford, S; Hill, G C; Hoffman, K D; Hoffmann, R; Homeier, A; Hoshina, K; Huang, F; Huelsnitz, W; Hulth, P O; Hultqvist, K; Hussain, S; Ishihara, A; Jacobi, E; Jacobsen, J; Jagielski, K; Japaridze, G S; Jero, K; Jlelati, O; Jurkovic, M; Kaminsky, B; Kappes, A; Karg, T; Karle, A; Kauer, M; Kelley, J L; Kheirandish, A; Kiryluk, J; Kläs, J; Klein, S R; Köhne, J -H; Kohnen, G; Kolanoski, H; Koob, A; Köpke, L; Kopper, C; Kopper, S; Koskinen, D J; Kowalski, M; Kriesten, A; Krings, K; Kroll, G; Kroll, M; Kunnen, J; Kurahashi, N; Kuwabara, T; Labare, M; Larsen, D T; Larson, M J; Lesiak-Bzdak, M; Leuermann, M; Leute, J; Lünemann, J; Macías, O; Madsen, J; Maggi, G; Maruyama, R; Mase, K; Matis, H S; McNally, F; Meagher, K; Medici, M; Meli, A; Meures, T; Miarecki, S; Middell, E; Middlemas, E; Milke, N; Miller, J; Mohrmann, L; Montaruli, T; Morse, R; Nahnhauer, R; Naumann, U; Niederhausen, H; Nowicki, S C; Nygren, D R; Obertacke, A; Odrowski, S; Olivas, A; Omairat, A; O'Murchadha, A; Palczewski, T; Paul, L; Penek, Ö; Pepper, J A; Heros, C Pérez de los; Pfendner, C; Pieloth, D; Pinat, E; Posselt, J; Price, P B; Przybylski, G T; Pütz, J; Quinnan, M; Rädel, L; Rameez, M; Rawlins, K; Redl, P; Rees, I; Reimann, R; Resconi, E; Rhode, W; Richman, M; Riedel, B; Robertson, S; Rodrigues, J P; Rongen, M; Rott, C; Ruhe, T; Ruzybayev, B; Ryckbosch, D; Saba, S M; Sander, H -G; Sandroos, J; Santander, M; Sarkar, S; Schatto, K; Scheriau, F; Schmidt, T; Schmitz, M; Schoenen, S; Schöneberg, S; Schönwald, A; Schukraft, A; Schulte, L; Schulz, O; Seckel, D; Sestayo, Y; Seunarine, S; Shanidze, R; Sheremata, C; Smith, M W E; Soldin, D; Spiczak, G M; Spiering, C; Stamatikos, M; Stanev, T; Stanisha, N A; Stasik, A; Stezelberger, T; Stokstad, R G; Stößl, A; Strahler, E A; Ström, R; Strotjohann, N L; Sullivan, G W; Taavola, H; Taboada, I; Tamburro, A; Tepe, A; Ter-Antonyan, S; Terliuk, A; Tešić, G; Tilav, S; Toale, P A; Tobin, M N; Tosi, D; Tselengidou, M; Unger, E; Usner, M; Vallecorsa, S; van Eijndhoven, N; Vandenbroucke, J; van Santen, J; Vehring, M; Voge, M; Vraeghe, M; Walck, C; Wallraff, M; Weaver, Ch; Wellons, M; Wendt, C; Westerhoff, S; Whelan, B J; Whitehorn, N; Wichary, C; Wiebe, K; Wiebusch, C H; Williams, D R; Wissing, H; Wolf, M; Wood, T R; Woschnagg, K; Xu, D L; Xu, X W; Yanez, J P; Yodh, G; Yoshida, S; Zarzhitsky, P; Ziemann, J; Zierke, S; Zoll, M
2014-01-01
Dark matter which is bound in the Galactic halo might self-annihilate and produce a flux of stable final state particles, e.g. high energy neutrinos. These neutrinos can be detected with IceCube, a cubic-kilometer sized Cherenkov detector. Given IceCube's large field of view, a characteristic anisotropy of the additional neutrino flux is expected. In this paper we describe a multipole method to search for such a large-scale anisotropy in IceCube data. This method uses the expansion coefficients of a multipole expansion of neutrino arrival directions and incorporates signal-specific weights for each expansion coefficient. We apply the technique to a high-purity muon neutrino sample from the Northern Hemisphere. The final result is compatible with the null-hypothesis. As no signal was observed, we present limits on the self-annihilation cross-section averaged over the relative velocity distribution $\\langle\\sigma v\\rangle$ down to $1.9\\cdot 10^{-23}\\,\\mathrm{cm}^3\\mathrm{s}^{-1}$ for a dark matter particle mass...
Multipole analysis of IceCube data to search for dark matter accumulated in the Galactic halo
Aartsen, M.G.; Hill, G.C.; Robertson, S.; Whelan, B.J. [University of Adelaide, School of Chemistry and Physics, Adelaide, SA (Australia); Ackermann, M.; Berghaus, P.; Bernardini, E.; Bretz, H.P.; Cruz Silva, A.H.; Gluesenkamp, T.; Gora, D.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stoessl, A.; Terliuk, A.; Yanez, J.P. [DESY, Zeuthen (Germany); Adams, J.; Brown, A.M.; Hickford, S.; Macias, O. [University of Canterbury, Department of Physics and Astronomy, Christchurch (New Zealand); Aguilar, J.A.; Altmann, D.; Christov, A.; Montaruli, T.; Rameez, M.; Vallecorsa, S. [Universite de Geneve, Departement de physique nucleaire et corpusculaire, Geneva (Switzerland); Ahlers, M.; Arguelles, C.; BenZvi, S.; Chirkin, D.; Day, M.; Desiati, P.; Diaz-Velez, J.C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kauer, M.; Kelley, J.L.; Kheirandish, A.; Kopper, C.; Kurahashi, N.; Larsen, D.T.; Maruyama, R.; McNally, F.; Middlemas, E.; Morse, R.; Rees, I.; Riedel, B.; Rodrigues, J.P.; Santander, M.; Tobin, M.N.; Tosi, D.; Vandenbroucke, J.; Van Santen, J.; Weaver, C.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N. [University of Wisconsin, Department of Physics, Wisconsin IceCube Particle Astrophysics Center, Madison, WI (United States); Ahrens, M.; Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P.O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M. [Stockholm University, Department of Physics, Oskar Klein Centre, Stockholm (Sweden); Anderson, T.; Arlen, T.C.; De Andre, J.P.A.M.; DeYoung, T.; Dunkman, M.; Eagan, R.; Groh, J.C.; Huang, F.; Quinnan, M.; Smith, M.W.E.; Stanisha, N.A.; Tesic, G. [Pennsylvania State University, Department of Physics, University Park, PA (United States); Auffenberg, J.; Bissok, M.; Blumenthal, J.; Gier, D.; Gretskov, P.; Haack, C.; Hallen, P.; Heinen, D.; Hellwig, D.; Jagielski, K.; Koob, A.; Kriesten, A.; Krings, K.; Leuermann, M.; Paul, L.; Penek, Oe.; Puetz, J.; Raedel, L.; Reimann, R.; Rongen, M.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wichary, C.; Wiebusch, C.H.; Zierke, S. [RWTH Aachen University, III. Physikalisches Institut, Aachen (Germany); Bai, X. [South Dakota School of Mines and Technology, Physics Department, Rapid City, SD (United States); Barwick, S.W.; Yodh, G. [University of California, Department of Physics and Astronomy, Irvine, CA (United States); Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H.G.; Schatto, K.; Wiebe, K. [University of Mainz, Institute of Physics, Mainz (Germany); Beatty, J.J. [Ohio State University, Department of Physics, Center for Cosmology and Astro-Particle Physics, Columbus, OH (United States); Ohio State University, Department of Astronomy, Columbus, OH (United States); Becker Tjus, J.; Bos, F.; Eichmann, B.; Fedynitch, A.; Kroll, M.; Saba, S.M.; Schoeneberg, S.; Unger, E. [Ruhr-Universitaet Bochum, Fakultaet fuer Physik und Astronomie, Bochum (Germany); Becker, K.H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A. [University of Wuppertal, Department of Physics, Wuppertal (Germany); Berley, D.; Blaufuss, E.; Christy, B.; Felde, J.; Goodman, J.A.; Hellauer, R.; Hoffman, K.D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G.W.; Wissing, H. [University of Maryland, Department of Physics, College Park, MD (United States); Bernhard, A.; Coenders, S.; Gross, A.; Jurkovic, M.; Leute, J.; Resconi, E.; Schulz, O.; Sestayo, Y. [Technische Universitaet Muenchen, Garching (Germany); Besson, D.Z. [University of Kansas, Department of Physics and Astronomy, Lawrence, KS (United States); Binder, G.; Gerhardt, L.; Ha, C.; Klein, S.R.; Miarecki, S. [University of California, Department of Physics, Berkeley, CA (United States); Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Boersma, D.J.; Botner, O.; Euler, S.; Hallgren, A.; Perez de los Heros, C.; Stroem, R.; Taavola, H. [Uppsala University, Department of Physics and Astronomy, Uppsala (Sweden); Bose, D.; Rott, C. [Sungkyunkwan University, Department of Physics, Suwon (Korea, Republic of); Collaboration: IceCube Collaboration; and others
2015-01-01
Dark matter which is bound in the Galactic halo might self-annihilate and produce a flux of stable final state particles, e.g. high energy neutrinos. These neutrinos can be detected with IceCube, a cubic-kilometer sized Cherenkov detector. Given IceCube's large field of view, a characteristic anisotropy of the additional neutrino flux is expected. In this paper we describe a multipole method to search for such a large-scale anisotropy in IceCube data. This method uses the expansion coefficients of a multipole expansion of neutrino arrival directions and incorporates signal-specific weights for each expansion coefficient. We apply the technique to a high-purity muon neutrino sample from the Northern Hemisphere. The final result is compatible with the nullhypothesis. As no signal was observed, we present limits on the self-annihilation cross-section averaged over the relative velocity distribution left angle σ{sub A}υ right angle down to 1.9 x 10{sup -23} cm{sup 3} s{sup -1} for a dark matter particle mass of 700-1,000 GeV and direct annihilation into ν anti ν. The resulting exclusion limits come close to exclusion limits from γ-ray experiments, that focus on the outer Galactic halo, for high dark matter masses of a few TeV and hard annihilation channels. (orig.)
Multipole analysis of IceCube data to search for dark matter accumulated in the Galactic halo
Dark matter which is bound in the Galactic halo might self-annihilate and produce a flux of stable final state particles, e.g. high energy neutrinos. These neutrinos can be detected with IceCube, a cubic-kilometer sized Cherenkov detector. Given IceCube's large field of view, a characteristic anisotropy of the additional neutrino flux is expected. In this paper we describe a multipole method to search for such a large-scale anisotropy in IceCube data. This method uses the expansion coefficients of a multipole expansion of neutrino arrival directions and incorporates signal-specific weights for each expansion coefficient. We apply the technique to a high-purity muon neutrino sample from the Northern Hemisphere. The final result is compatible with the nullhypothesis. As no signal was observed, we present limits on the self-annihilation cross-section averaged over the relative velocity distribution left angle σAυ right angle down to 1.9 x 10-23 cm3 s-1 for a dark matter particle mass of 700-1,000 GeV and direct annihilation into ν anti ν. The resulting exclusion limits come close to exclusion limits from γ-ray experiments, that focus on the outer Galactic halo, for high dark matter masses of a few TeV and hard annihilation channels. (orig.)
Bertinelli, F; Berthollon-Vitte, S; Glaude, D; Vanenkov, I
2006-01-01
The quality control implemented at all LHC dipole assemblers includes precise mechanical measurements of the geometry of collared coils. A cross-analysis performed between mechanical and magnetic measurements data shows a correlation between collared coils outer dimensions and the normal quadrupole multipole (b2) for one dipole assembler. The profile geometry of the single collars - as determined from 3D measurements at the collar suppliers and CERN - could not account alone for the significant left â right aperture asymmetry observed. This triggered a deeper investigation on different elements of the geometry of single collars. The results of this work show that the relative positioning of the collaring holes, allowing a small bending deformation of collars under the effect of coil pre-stress, is an important effect that generates a b2 multipole at the limit of specification. The study has deepened the understanding of the factors affecting collared coil geometry and field quality. The precision of 3D m...
R Saravanan; K S Syed Ali; S Israel
2008-04-01
The local, average and electronic structure of the semiconducting materials Si and Ge has been studied using multipole, maximum entropy method (MEM) and pair distribution function (PDF) analyses, using X-ray powder data. The covalent nature of bonding and the interaction between the atoms are clearly revealed by the two-dimensional MEM maps plotted on (1 0 0) and (1 1 0) planes and one-dimensional density along [1 0 0], [1 1 0] and [1 1 1] directions. The mid-bond electron densities between the atoms are 0.554 e/Å3 and 0.187 e/Å3 for Si and Ge respectively. In this work, the local structural information has also been obtained by analyzing the atomic pair distribution function. An attempt has been made in the present work to utilize the X-ray powder data sets to refine the structure and electron density distribution using the currently available versatile methods, MEM, multipole analysis and determination of pair distribution function for these two systems.
A powerful new technique, using a two-dimensional position-sensitive multichannel plate detector coupled with a spherical-sector electron analyzer, allows rapid data collection of doubly- and triply-differential electron spectra. This device is used to collect spectra, doubly differential in electron energy and emission angle, for the electron loss to the continuum cross section, where an electron originally bound to the incoming projectile is excited just over the ionization limit into the continuum of the ion, for O5+ projectiles incident on helium and argon gas targets at energies of 41, 82, and 105 MeV at the Holifield Heavy Ion Research Facility at Oak Ridge National Laboratory. By making a multipole expansion of the cross section in the projectile frame, and appropriately including the effects of the electron analyzer, a general characterization of the electron loss to the continuum cusp (ELC) shape is made. These results are directly compared with the recent theory of J. Burgdoerfer, which derives the multipole content for the ELC cross section, and excellent agreement is found for the case of argon targets at the highest two energies, where the theory is expected to be more reliable. The lack of good agreement with helium target data suggests the need for better treatment of electron-electron interactions within the theoretical framework
LIU Yong; HAO Shuang-hui; HAO Ming-hui
2009-01-01
We developed a novel absolute multi-pole encoder structure to improve the resolution of the multi-pole encoder, realize absolute output and reduce the manufacturing cost of the encoder. The structure includes two ring alnicos defined as index track and sub-division track, respectively. The index track is magnetized based on the improved gray code, with linear halls placed around the track evenly. The outputs of linear halls show the region the rotor belongs to. The sub-division track is magnetized to N-S-N-S (north-south-north-south), and the number of N-S pole pairs is determined by the index track. Three linear hall sensors with an air-gap of 2 mm are used to translate the magnetic filed to voltage signals. The relative offset in a single N-S is obtained through look-up. The magnetic encoder is calibrated using a higher-resolution incremental optical encoder. The pulse output from the optical encoder and hall signals from the magnetic encoder are sampled at the same time and transmitted to a computer, and the relation between them is calculated, and stored in the FLASH of MCU (micro controller unit) for look-up. In the working state, the absolute angle is derived by looking-up with hall signals. The structure is simple and the manufacturing cost is very low and suitable for mass production.
The multipole response of neutron-rich O and Sn isotopes is computed in Tamm–Dancoff and random-phase approximations using the canonical Hartree–Fock–Bogoliubov quasi-particle basis. The calculations are performed using an intrinsic Hamiltonian composed of a Vlowk potential, deduced from the CD-Bonn nucleon–nucleon interaction, corrected with phenomenological density dependent and spin–orbit terms. The effect of these two pieces on energies and multipole responses is discussed. The problem of removing the spurious admixtures induced by the center-of-mass motion and by the violation of the number of particles is investigated. The differences between the two theoretical approaches are discussed quantitatively. Attention is then focused on the dipole strength distribution, including the low-lying transitions associated with the pygmy resonance. Monopole and quadrupole responses are also briefly investigated. A detailed comparison with the available experimental spectra contributes to clarify the extent of validity of the two self-consistent approaches. (paper)
Delferrière, O; Duperrier, R
2000-01-01
During the design of a magnet, people generally pay particular attention to get the largest transverse section with small contribution of undesirable multipoles, and the 2D cross-section is adjusted in that way with a good accuracy. But the poles are often cut with sharp ends in the beam direction. Otherwise, in order to minimize the stray field to avoid interaction with other elements on the beam lines and corner saturation, it is common to define a simple 45 degrees chamber. The such truncated poles will create an amount of multipoles that could exceed the magnet required tolerances. The magnetic length is also affected by the way that the truncation is done. We propose in this paper a handy analytical model that allows both to control integrated focusing forces and magnetic lengths for each type of conventional magnets (dipole, quadrupole, sextupole). The different end pole profiles are simulated with the 3D-program TOSCA for the dipole and the quadrupole cases. To estimate a possible damaging of optical q...
Huang, Yu; Zhang, Xian; Ringe, Emilie; Hou, Mengjing; Ma, Lingwei; Zhang, Zhengjun
2016-01-01
Considering the nanogap and lattice effects, there is an attractive structure in plasmonics: closely spaced metallic nanoarrays. In this work, we demonstrate experimentally and theoretically the lattice coupling of multipole plasmon modes for closely spaced gold nanorod arrays, offering a new insight into the higher order cavity modes coupled with each other in the lattice. The resonances can be greatly tuned by changes in inter-rod gaps and nanorod heights while the influence of the nanorod diameter is relatively insignificant. Experimentally, pronounced suppressions of the reflectance are observed. Meanwhile, the near-field enhancement can be further enhanced, as demonstrated through surface enhanced Raman scattering (SERS). We then confirm the correlation between the near-field and far-field plasmonic responses, which is significantly important for maximizing the near-field enhancement at a specific excitation wavelength. This lattice coupling of multipole plasmon modes is of broad interest not only for SERS but also for other plasmonic applications, such as subwavelength imaging or metamaterials. PMID:26983501
BLIND ADAPTIVE XPIC BASED ON HOS
Fu Haiyang; Yang Longxiang; Peng Jianglong
2001-01-01
This paper presents a new blind XPIC and a new adaptive blind deconvolutional algorithm based on HOS processing, which separates and equalizes the signals in real time. The simulation results demonstrate that the performance of the proposed adaptive blind algorithm,compared with the conventional algorithms, is outstanding with the feature of feasibility, stability and fast convergence rate.
Kosyak, Y G; Adymov, Z I; Ermatov, A S
2000-01-01
Excited levels of the sup 6 sup 3 sup , 6 sup 5 Cu isotopes are studied by the technique of inelastic scattering of fast reactor neutrons. The lifetimes of levels, the gamma-transition multipole mixing and the cross section of the sup 6 sup 3 sup , 6 sup 5 Cu(n,n'gamma)-reaction accompanied by excitation of the first levels with spins 1/2 sup - , 5/2 sup - , 7/2 sup - are determined. (author)
许叙遥; 林辉
2013-01-01
To improve the robustness and control precision of single-axis roll stabilized servo platform (SRSSP) in strap-down inertial navigation system, a novel servo control method based on adaptive nonsingular and fast terminal dynamic sliding mode is presented. The principle of SRSSP is introduced, and an adaptive nonsingular and fast terminal sliding mode control method with steady-state error and chatting is analyzed. Based on three-loop PID servo control ideology, a linear segment is configured by system state variables, then a nonsingular and fast terminal dynamic sliding mode controller is developed based on the segment, and the boundary of parameter uncertainty and external disturbance is estimated by adaptive law. The new control method can realize accurate control of the position and speed. Meanwhile, the chattering in sliding mode is greatly attenuated. Simulation results show that the new sliding mode servo control method is feasible, and can improve the robustness and accuracy of the servo platform.%为提高捷联导航系统中的单轴滚转稳定伺服平台鲁棒性和控制精度，提出了一种基于自适应非奇异快速终端的动态滑模控制方法。介绍了单轴滚转稳定伺服平台原理，分析自适应非奇异快速终端滑模控制方法以及存在稳态误差和抖振问题。在借鉴三环PID伺服控制思想基础上，首先将状态变量构成线性滑模面，在该线性滑模面上形成非奇异快速终端滑模控制器，并采用自适应律来估计扰动上限。能够实现位置和速度的精确控制，大大削弱滑模抖振。仿真结果表明，基于自适应非奇异快速终端速度动态滑模控制方法合理可行，提高了单轴滚转稳定平台收敛速度、鲁棒性和控制精度。
Adya Prasad Mishra; T K Balasubramanian
2001-10-01
Rovibrational matrix elements of the multipole moments ℓ up to rank 10 and of the linear polarizability of the H2 molecule in the condensed phase have been computed taking into account the effect of the intermolecular potential. Comparison with gas phase matrix elements shows that the effect of solid state interactions is marginal.
Stem Cells Matter in Response to Fasting
Badi Sri Sailaja
2015-12-01
Full Text Available The molecular processes underlying intestinal adaptation to fasting and re-feeding remain largely uncharacterized. In this issue of Cell Reports, Richmond et al. report that dormant intestinal stem cells are regulated by PTEN and nutritional status.
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
Online Adaptive Fast Multipose Face Tracking Based on Visual Cue Selection%基于在线特征选择的实时多姿态人脸跟踪
杨涛; 李子青; 潘泉; 李静; 赵春晖; 程咏梅
2008-01-01
This paper presents a system that is able to reliably track multiple faces under varying poses (tilted and rotated) in real time. The system consists of two interactive modules. The first module performs the detection of the face that is subject to rotation.The second module carries out online learnirg-based face tracking. A mechanism that switches between the two modules is embedded into the system to automatically decide the best strategy for reliable tracking. The mechanism enables a smooth transit between the detection and tracking modules when one of them gives either nil or unreliable results. Extensive experiments demonstrate that the system can reliably carry out real time tracking of multiple faces in a complex background under different conditions such as out-of-plane rotation, tilting, fast nonlinear motion, partial occlusion, large scale changes, and camera motion. Moreover, it runs at a high speed of 10～12 frames per second (fps) for an image of 320 × 240.