QCD Multipole Expansion and Hadronic Transitions in Heavy Quarkonium Systems
KUANG Yu-ping
2006-01-01
We review the developments of the multipole expansion approach in quantum chromodynamics and its applications to hadronic transitions and some radiative decays of heavy quarkonia.Theoretical predictions are compared with updated experimental results.
Infrared Extrapolations of Electromagnetic Multipole Moments and Transitions
Odell, Daniel; Papenbrock, Thomas; Platter, Lucas
2017-01-01
Basis truncations introduce systematic errors in observables calculated by representing the nuclear Hamiltonian in finite Hilbert spaces. Recent studies of the infrared convergence of finite basis calculations of energies and radii have led to accurate descriptions of numerical data. I will discuss how these concepts can be applied to the study of bound-state quadrupole moments and transitions as well as multipole transitions between bound-states and the continuum. I will show that good agreement is obtained between analytically derived and numerically computed convergence behavior in finite harmonic oscillator spaces for the nucleon-nucleon system. This opens the way to a more precise understanding of structure and reactions involving heavier nuclei. U.S. Dept of Energy, Office of Science under Nos. DEFG02-96ER40963, DE-AC05-00OR22725, DE-SC0008499; US-Israel Binational Science Foundation under Grant No. 2012212; National Science Foundation under Grant No. PHY-1516077 and No. PHY-1555030.
Local geometry of electromagnetic fields and its role in molecular multipole transitions
Yang, Nan
2010-01-01
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the fields and field gradients at a single point in space. Many configurations cannot be generated from a single plane wave, regardless of polarization, but any allowed configuration can be generated by superposition of multiple plane waves. There is no local configuration of the fields and gradients that requires near-field effects. Second, we derive a set of local electromagnetic quantities, where each couples to a particular multipole transition. These quantities are small or zero in plane waves, but can be large in regions of certain superpositions of plane waves. Our findings provide a systematic framework for designing far-field and near-field experiments to drive multipole transitions. The proposed experiments provide information on molecular structure that is inaccessi...
High Heat-Load Slits for the PLS Multipole Wiggler
Gil, Kyehwan; Kim, Young-Chan; Lee, Heung-Soo; Wha Chung, Chin
2005-01-01
The HFMX (High Flux Macromolecular X-ray crystallography) beamline under commissioning at Pohang Accelerator Laboratory uses beam from a multipole wiggler for MAD experiment. Two horizontal and vertical slits relevant to high heat load are installed at its front-end. In order to treat high heat load and to reduce beam scattering, the horizontal slit has two glidcop blocks with 10° of vertical inclination and its tungsten blades defining beam size are bolted on backsides of both blocks. The blocks of the slit are adjusted on fixed slides by two actuating bars, respectively. Water through channels machined along the actuating bars cool down the heat load of both blocks. The vertical slit has the same structure as the horizontal slit except its installation direction and angle of vertical inclination. The installed slits show stable operation performance and no alignment for the blocks is required by virtue of a pair of blocks translating on slides. The cooling performance of two slits is also shown to ...
Local geometry of electromagnetic fields and its role in molecular multipole transitions.
Yang, Nan; Cohen, Adam E
2011-05-12
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the fields and field gradients at a single point in space. Many configurations cannot be generated from a single plane wave, regardless of polarization, but any allowed configuration can be generated by superposition of multiple plane waves. There is no local configuration of the fields and gradients that requires near-field effects. Second, we derive a set of local electromagnetic quantities, each of which couples to a particular multipole transition. These quantities are small or zero in plane waves, but can be large in regions of certain superpositions of plane waves. Our findings provide a systematic framework for designing far-field and near-field experiments to drive multipole transitions. The proposed experiments provide information on molecular structure that is inaccessible to other spectroscopic techniques and open the possibility for new types of optical control of molecules.
High-order multipole radiation from quantum Hall states in Dirac materials
Gullans, Michael J.; Taylor, Jacob M.; Imamoǧlu, Ataç; Ghaemi, Pouyan; Hafezi, Mohammad
2017-06-01
We investigate the optical response of strongly disordered quantum Hall states in two-dimensional Dirac materials and find qualitatively different effects in the radiation properties of the bulk versus the edge. We show that the far-field radiation from the edge is characterized by large multipole moments (>50 ) due to the efficient transfer of angular momentum from the electrons into the scattered light. The maximum multipole transition moment is a direct measure of the coherence length of the edge states. Accessing these multipole transitions would provide new tools for optical spectroscopy and control of quantum Hall edge states. On the other hand, the far-field radiation from the bulk appears as random dipole emission with spectral properties that vary with the local disorder potential. We determine the conditions under which this bulk radiation can be used to image the disorder landscape. Such optical measurements can probe submicron-length scales over large areas and provide complementary information to scanning probe techniques. Spatially resolving this bulk radiation would serve as a novel probe of the percolation transition near half filling.
MULTIPOLE 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.
Papakonstantinou, P. [Technische Univ. Darmstadt (Germany). Inst. fuer Kernphysik]|[Athens Univ. (Greece). Physics Dept., Nuclear and Particle Physics Section; Mavrommatis, E. [Athens Univ. (Greece). Physics Dept., Nuclear and Particle Physics Section; Wambach, J.; Ponomarev, V.Y. [Technische Univ. Darmstadt (Germany). Inst. fuer Kernphysik
2004-12-20
We have used a self-consistent Skyrme-Hartree-Fock plus continuum-RPA model to study the low-multipole response of stable and neutron/proton-rich Ni and Sn isotopes. We focus on the momentum-transfer dependence of the strength distribution, as it provides information on the structure of excited nuclear states and in particular on the variations of the transition form factor (TFF) with the energy. Our results show, among other things, that the TFF may show significant energy dependence in the region of the isoscalar giant monopole resonance and that the TFF corresponding to the threshold strength in the case of neutron-rich nuclei is different compared to the one corresponding to the respective giant resonance. Perspectives are given for more detailed future investigations. (orig.)
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...... instantaneous loading or during the primary creep stage. Trace analysis has shown that the multipoles are confined to {1 1 1} planes during primary creep but are not necessarily confined to these planes during steady-state creep unless they are pinned by interstitials....
Review of non-Gaussianity at low and high multipoles from WMAP data
Verkhodanov, O. V.; Naselsky, P. D.; Chiang, L.-Y.; Doroshkevich, A. G.; Novikov, I. D.
2008-09-01
We review problems of non-Gaussianity analysis of the WMAP data. The non-Gaussianity has been detected by different methods in several multipole ranges. To our opinion, it could be due to some systematic effects of data analysis.
Multipole vector solitons in nonlocal nonlinear media.
Kartashov, Yaroslav V; Torner, Lluis; Vysloukh, Victor A; Mihalache, Dumitru
2006-05-15
We show that multipole solitons can be made stable via vectorial coupling in bulk nonlocal nonlinear media. Such vector solitons are composed of mutually incoherent nodeless and multipole components jointly inducing a nonlinear refractive index profile. We found that stabilization of the otherwise highly unstable multipoles occurs below certain maximum energy flow. Such a threshold is determined by the nonlocality degree.
Safronova, U I; Safronova, A S; Beiersdorfer, P
2007-10-08
Transition rates and line strengths are calculated for electric-multipole (E2 and E3) and magnetic-multipole (M1, M2, and M3) transitions between 3s{sup 2}3p{sup 6}3d{sup 10}, 3s{sup 2}3p{sup 6}3d{sup 9}4l, 3s{sup 2}3p{sup 5}3d{sup 10}4l, and 3s3p{sup 6}3d{sup 10}4l states (with 4l = 4s, 4p, 4d, and 4f) in Ni-like ions with the nuclear charges ranging from Z = 34 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded multipole matrix elements. Transition energies used in the calculation of line strengths and transition rates are from second-order RMBPT. Lifetimes of the 3s{sup 2}3p{sup 6}3d{sup 9}4s levels are given for Z = 34-100. Taking into account that calculations were performed in a very broad range of Z, most of the data are presented in graphs as Z-dependencies. The full set of data is given only for Ni-like W ion. In addition, we also give complete results for the 3d4s{sup 3}D{sub 2}-3d4s {sup 3}D{sub 1} magnetic-dipole transition, as the transition may be observed in future experiments, which measure both transition energies and radiative rates. These atomic data are important in the modeling of radiation spectra from Ni-like multiply-charged ions generated in electron beam ion trap experiments as well as for laboratory plasma diagnostics including fusion research.
On the graphical extraction of multipole mixing ratios of nuclear transitions
Rezynkina, K.; Lopez-Martens, A.; Hauschild, K.
2017-02-01
We propose a novel graphical method for determining the mixing ratios δ and their associated uncertainties for mixed nuclear transitions. It incorporates the uncertainties on both the measured and the theoretical conversion coefficients. The accuracy of the method has been studied by deriving the corresponding probability density function. The domains of applicability of the method are carefully defined.
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.
Selection rules for electric multipole transition of diatomic molecule in scattering experiments
朱林繁; 田红春; 刘亚伟; 康旭; 刘国兴
2015-01-01
The knowledge of the energy level structures of atoms and molecules is mainly obtained by spectroscopic experiments. Both photoabsorption and photoemission spectra are subject to the electric dipole selection rules (also known as optical selection rules). However, the selection rules for atoms and molecules in the scattering experiments are not identical to those in the optical experiments. In this paper, based on the theory of the molecular point group, the selection rules are derived and summarized for the electric monopole, electric dipole, electric quadrupole, and electric octupole transitions of diatomic molecules under the first Born approximation in scattering experiments. Then based on the derived selection rules, the electron scattering spectra and x-ray scattering spectra of H2, N2, and CO at different momentum transfers are explained, and the discrepancies between the previous experimental results measured by different groups are elucidated.
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.
Ibeid, Huda
2016-03-04
Exascale systems are predicted to have approximately 1 billion cores, assuming gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the currently dominant parallel programing model. Currently, there are many efforts to evaluate the hardware and software bottlenecks of exascale designs. It is therefore of interest to model application performance and to understand what changes need to be made to ensure extrapolated scalability. The fast multipole method (FMM) was originally developed for accelerating N-body problems in astrophysics and molecular dynamics but has recently been extended to a wider range of problems. Its high arithmetic intensity combined with its linear complexity and asynchronous communication patterns make it a promising algorithm for exascale systems. In this paper, we discuss the challenges for FMM on current parallel computers and future exascale architectures, with a focus on internode communication. We focus on the communication part only; the efficiency of the computational kernels are beyond the scope of the present study. We develop a performance model that considers the communication patterns of the FMM and observe a good match between our model and the actual communication time on four high-performance computing (HPC) systems, when latency, bandwidth, network topology, and multicore penalties are all taken into account. To our knowledge, this is the first formal characterization of internode communication in FMM that validates the model against actual measurements of communication time. The ultimate communication model is predictive in an absolute sense; however, on complex systems, this objective is often out of reach or of a difficulty out of proportion to its benefit when there exists a simpler model that is inexpensive and sufficient to guide coding decisions leading to improved scaling. The current model provides such guidance.
Daniel J Kuster
Full Text Available 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
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
Description of complex time series by multipoles
Lewkowicz, M.; Levitan, J.; Puzanov, N.
2002-01-01
We present a new method to describe time series with a highly complex time evolution. The time series is projected onto a two-dimensional phase-space plot which is quantified in terms of a multipole expansion where every data point is assigned a unit mass. The multipoles provide an efficient...... characterization of the original time series....
High-Multipole Excitations of Hydrogen-Like Atoms by Twisted Photons near Phase Singularity
Afanasev, Andrei; Mukherjee, Asmita
2016-01-01
We calculate transition amplitudes and cross sections for excitation of hydrogen-like atoms by the twisted photon states, or photon states with angular momentum projection on the direction of propagation exceeding $\\hbar$. If the target atom is located at distances of the order of atomic size near the phase singularity in the vortex center, the transitions rates into the states with orbital angular momentum $l_f>1$ become comparable with the rates for electric dipole transitions. It is shown that when the transition rates are normalized to the local photon flux, the resulting cross sections for $l_f>1$ are singular near the optical vortex center. Relation to the "quantum core" concept introduced by Berry and Dennis is discussed.
Schiattarella, Vincenzo; Spiller, Dario; Curti, Fabio
2017-04-01
This work proposes a novel technique for the star pattern recognition for the Lost in Space, named Multi-Poles Algorithm. This technique is especially designed to ensure a reliable identification of stars when there is a large number of false objects in the image, such as Single Event Upsets, hot pixels or other celestial bodies. The algorithm identifies the stars using three phases: the acceptance phase, the verification phase and the confirmation phase. The acceptance phase uses a polar technique to yield a set of accepted stars. The verification phase performs a cross-check between two sets of accepted stars providing a new set of verified stars. Finally, the confirmation phase introduces an additional check to discard or to keep a verified star. As a result, this procedure guarantees a high robustness to false objects in the acquired images. A reliable simulator is developed to test the algorithm to obtain accurate numerical results. The star tracker is simulated as a 1024 × 1024 Active Pixel Sensor with a 20° Field of View. The sensor noises are added using suitable distribution models. The stars are simulated using the Hipparcos catalog with corrected magnitudes accordingly to the instrumental response of the sensor. The Single Event Upsets are modeled based on typical shapes detected from some missions. The tests are conducted through a Monte Carlo analysis covering the entire celestial sphere. The numerical results are obtained for both a fixed and a variable attitude configuration. In the first case, the angular velocity is zero and the simulations give a success rate of 100% considering a number of false objects up to six times the number of the cataloged stars in the image. The success rate decreases at 66% when the number of false objects is increased to fifteen times the number of cataloged stars. For moderate angular velocities, preliminary results are given for constant rate and direction. By increasing the angular rate, the performances of the
Latina, A
2012-01-01
The electromagnetic radio-frequency (RF) field of accelerating structures and crab-cavities can exhibit transverse field components due to asymmetries in the azimuthal direction of the element geometry. Tracking simulations must be performed to evaluate the impact of such transverse RF deflections on the beam dynamics. In an ultra-relativistic regime where the Panofsky-Wenzel theorem is applicable, these RF deflections can be modeled via a multipolar expansion of the generating RF field similarly to what is done with static magnetic elements. The element implementing such RF multipolar fields has been called RF multipole. In this note we present an analytical formulation of a thin RF multipole Hamiltonian, and we explicitly calculate the RF kick and the elements of its first- and second- order transfer matrices. Also, we present the implementation of the corresponding code in MAD-X, plus some tests of tracking, simplecticity, consistency, and reflected maps that we successfully applied to verify the correctne...
A fast multipole transformation for global climate calculations
Holmes, J.A.; Wang, Z.; Drake, J.B.; Lyon, B.F.; Chen, W.T.
1996-01-01
A fast multipole transformation is adapted to the evaluation of summations that occur in global climate calculations when transforming between spatial and spherical harmonic representations. For each summation, the timing of the fast multipole transformation scales linearly with the number of latitude gridpoints, but the timing for direct evaluations scales quadratically. In spite of a larger computational overhead, this scaling advantage renders the fast multipole method faster than direct evaluation for transformations involving greater than approximately 300 to 500 gridpoints. Convergence of the fast multipole transformation is accurate to machine precision. As the resolution in global climate calculations continues to increase, an increasingly large fraction of the computational work involves the transformation between spatial and spherical harmonic representations. The fast multipole transformation offers a significant reduction in computational time for these high-resolution cases.
Modeling and Optimizing RF Multipole Ion Traps
Fanghaenel, Sven; Asvany, Oskar; Schlemmer, Stephan
2016-06-01
Radio frequency (rf) ion traps are very well suited for spectroscopy experiments thanks to the long time storage of the species of interest in a well defined volume. The electrical potential of the ion trap is determined by the geometry of its electrodes and the applied voltages. In order to understand the behavior of trapped ions in realistic multipole traps it is necessary to characterize these trapping potentials. Commercial programs like SIMION or COMSOL, employing the finite difference and/or finite element method, are often used to model the electrical fields of the trap in order to design traps for various purposes, e.g. introducing light from a laser into the trap volume. For a controlled trapping of ions, e.g. for low temperature trapping, the time dependent electrical fields need to be known to high accuracy especially at the minimum of the effective (mechanical) potential. The commercial programs are not optimized for these applications and suffer from a number of limitations. Therefore, in our approach the boundary element method (BEM) has been employed in home-built programs to generate numerical solutions of real trap geometries, e.g. from CAD drawings. In addition the resulting fields are described by appropriate multipole expansions. As a consequence, the quality of a trap can be characterized by a small set of multipole parameters which are used to optimize the trap design. In this presentation a few example calculations will be discussed. In particular the accuracy of the method and the benefits of describing the trapping potentials via multipole expansions will be illustrated. As one important application heating effects of cold ions arising from non-ideal multipole fields can now be understood as a consequence of imperfect field configurations.
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.
On the dynamic toroidal multipoles
Fernandez-Corbaton, Ivan; Rockstuhl, Carsten
2015-01-01
Toroidal multipoles are attracting research attention, particularly in the field of metamaterials. They are often understood as a multipolar family in its own right. The dynamic toroidal multipoles emerge from the separation of one of the two transverse multipoles into two parts, referred to as electric and toroidal. Here, we establish that the dynamic toroidal multipolar components of an electric current distribution cannot be determined by measuring the radiation from the source or its coupling to external electromagnetic waves. We analytically show how the split into electric and toroidal parts causes the appearance of non-radiative components in each of the two parts, which cancel when summed back together. The toroidal multipoles do not have an independent meaning with respect to their interaction with the radiation field. Their formal meaning is clear, however. They are the higher order terms of an expansion of the multipolar coefficients of electric parity with respect to the electromagnetic size of th...
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 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.
Optimization of RF multipole ion trap geometries
Fanghänel, Sven; Asvany, Oskar; Schlemmer, Stephan
2017-02-01
Radio-frequency (rf) traps are ideal places to store cold ions for spectroscopic experiments. Specific multipole configurations are suited best for different applications but have to be modified to allow e.g. for a proper overlap of a laser beam waist with the ion cloud. Therefore the corresponding trapping fields should be shaped accordingly. To achieve this goal highly accurate electrical potentials of rf multipole traps and the resulting effective trapping potentials are calculated using the boundary element method (BEM). These calculations are used to evaluate imperfections and to optimize the field geometry. For that purpose the complex fields are reduced to a small set of multipole expansion coefficients. Desirable values for these coefficients are met by systematic changes of real trap dimensions from CAD designs. The effect of misalignment of a linear quadrupole, the optimization of an optically open Paul trap, the influence of steering electrodes (end electrode and ring electrode) on a 22-pole ion trap and the effect of the micro motion on the lowest reachable temperatures in such a trap are discussed.
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.
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.
Multipole expansion method for supernova neutrino oscillations
Duan, Huaiyu; Shalgar, Shashank, E-mail: duan@unm.edu, E-mail: shashankshalgar@unm.edu [Department of Physics and Astronomy, University of New Mexico, Albuquerque, NM 87131 (United States)
2014-10-01
We demonstrate a multipole expansion method to calculate collective neutrino oscillations in supernovae using the neutrino bulb model. We show that it is much more efficient to solve multi-angle neutrino oscillations in multipole basis than in angle basis. The multipole expansion method also provides interesting insights into multi-angle calculations that were accomplished previously in angle basis.
HPAM: Hirshfeld partitioned atomic multipoles
Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.
2012-02-01
An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio
Adolescents Transitioning to High School.
Williams, Susan G; Langhinrichsen-Rohling, Jennifer; Wornell, Cory; Finnegan, Heather
2017-01-01
Adolescents transitioning to high school may be at greater risk of depression and suicide if they are victims of bullying behavior. This study explored sex differences in bullying victimization (physical, verbal/social, and cyberbullying) and the impact on depressive symptoms and suicidal behaviors in ninth-grade students ( N = 233). Females reported significantly more verbal/social and cyberbullying than male students. There were no significant sex differences in physical bullying; male students who reported physical bullying victimization were more likely to experience depressive symptoms. Verbal/social bullying predicted depressive symptoms in males and females. Females who reported being victims of cyberbullying were more likely to report depressive symptoms, suicide ideation, and suicide attempts. Eighteen students reported suicide attempts, and each also experienced verbal/social bullying. School nurses are positioned to reach out to transitioning students, screen for mental health issues, provide a safe place to talk about bullying experiences, and promote positive mental health.
Kelvin transformation and inverse multipoles in electrostatics
Amaral, R L P G; Lemos, N A
2016-01-01
The inversion in the sphere or Kelvin transformation, which exchanges the radial coordinate for its inverse, is used as a guide to relate distinct electrostatic problems with dual features. The exact solution of some nontrivial problems are obtained through the mapping from simple highly symmetric systems. In particular, the concept of multipole expansion is revisited from a point of view opposed to the usual one: the sources are distributed in a region far from the origin while the electrostatic potential is described at points close to it.
Vacuum energies and multipole interactions
Rangel, Fabricio Augusto Barone
2016-01-01
In this paper, we present a quantum-field-theoretical description of the interaction between stationary and localized external sources linearly coupled to bosonic fields (specifically, we study models with a scalar and the Maxwell field). We consider external sources that simulate not only point charges but also higher-multipole distributions along D-dimensional branes. Our results complement the ones previously obtained in reference [1].
Electromagnetic multipole fields of neutron stars
Roberts, W. J.
1979-01-01
A formalism is developed for treating general multipole electromagnetic fields of neutron stars. The electric multipoles induced in a neutron star by its rotation with an arbitrary magnetic multipole at its center are presented. It is shown how to express a family of off-centered multipoles having the same l weight as an infinite array of centered multipoles of increasing l weight referred to the rotational axis. General expressions are given for the linear momentum present in the superposition of arbitrary multipole fields, and the results are combined to compute the radiation rate of linear momentum by an off-centered dipole to zeroth order in the parameter Omega x R/c. The general Deutsch (1955) solution is then rederived in a clear consistent manner, and some minor additions and corrections are provided.
Multipole surface solitons in layered thermal media
Kartashov, Yaroslav V; Torner, Lluis
2008-01-01
We address the existence and properties of multipole solitons localized at a thermally insulating interface between uniform or layered thermal media and a linear dielectric. We find that in the case of uniform media, only surface multipoles with less than three poles can be stable. In contrast, we reveal that periodic alternation of the thermo-optic coefficient in layered thermal media makes possible the stabilization of higher order multipoles.
Multilevel Fast Multipole Method for Higher Order Discretizations
Borries, Oscar Peter; Meincke, Peter; Jorgensen, Erik;
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 or...
Multipole Moments of numerical spacetimes
Pappas, George
2012-01-01
In this article we present some recent results on identifying correctly the relativistic multipole moments of numerically constructed spacetimes, and the consequences that this correction has on searching for appropriate analytic spacetimes that can approximate well the previously mentioned numerical spacetimes. We also present expressions that give the quadrupole and the spin octupole as functions of the spin parameter of a neutron star for various equations of state and in a range of masses for every equation of state used. These results are relevant for describing the exterior spacetime of rotating neutron stars that are made up of matter obeying realistic equations of state.
Jakobsen, Sofie; Jensen, Frank
2014-12-09
We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.
ZOU Gui-Qing; LEI Guang-Jiu; JIANG Shao-Feng; CAO Jian-Yong; YU Li-Ming; LU Da-Lun; YANG Li-Mei; LIU He; JIANG Tao; ZHANG Xian-Ming
2009-01-01
A circular magnetic multi-pole line-cusp ion source with a nominal 45 keV 25 A hydrogen ion beam is developed for the neutral beam injector of the HL-2A tokomak.At present,this bucket ion source can produce a 40 keV 20 A hydrogen ion beam for less than 100 ms on a test bed,and a 35 ke V 13A ion beam for 300 ms on the injector of the HL-2A tokomak.The 1/e hag-width of the ion beam power profile is about 6.0±0.2 cm at the position of 3.26 m downstream from ion source,and the corresponding divergence degree is nearly 1.1.The optimum perveance matched conditions were obtained experimentally,and were in good agreement with the values from experiential equation of Uhlemann et al.The maximum of optimum perveance reached 2.2×10-6 A/V1.5 for 38 keV beam energy.An ion beam with above 60% H+ species fraction can be achieved,which was measured by Hα light Doppler shift spectroscopy.According to research results,a neutral beam with a total power of more than 0.6 MW was successfully injected into the plasma of the HL-2A Tokomak in 2008.
Tailoring the multipoles in THz toroidal metamaterials
Cong, Longqing; Srivastava, Yogesh Kumar; Singh, Ranjan
2017-08-01
The multipoles play a significant role in determining the resonant behavior of subwavelength resonators that form the basis of metamaterial and plasmonic systems. Here, we study the impact of multipoles including toroidal dipole on the resonance intensity and linewidth of the fundamental inductive-capacitance (LC) resonance of a metamaterial array. The dominant multipoles that strongly contribute to the resonances are tailored by spatial rearrangement of the neighboring resonators such that the mutual interactions between the magnetic, electric, and toroidal configurations lead to enormous change in the linewidth as well as the resonance intensity of the LC mode. Manipulation of the multipoles in a metamaterial array provides a general strategy for the optimization of the quality factor of metamaterial resonances, which is fundamental to its applications in broad areas of sensing, lasing and nonlinear optics where stronger field confinement plays a significant role.
PROGRAM-PATTERN MULTIPOLE BOUNDARY ELEMENT METHOD FOR FRICTIONAL CONTACT
Yu Chunxiao; Shen Guangxian; Liu Deyi
2005-01-01
A mathematical program is proposed for the highly nonlinear problem involving frictional contact. A program-pattern using the fast multipole boundary element method (FMBEM) is given for 3-D elastic contact with friction to replace the Monte Carlo method. A new optimized generalized minimal residual (GMRES) algorithm is presented. Numerical examples demonstrate the validity of the program-pattern optimization model for node-to-surface contact with friction. The GMRES algorithm greatly improves the computational efficiency.
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.
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.
A pragmatic overview of fast multipole methods
Strickland, J.H.; Baty, R.S.
1995-12-01
A number of physics problems can be modeled by a set of N elements which have pair-wise interactions with one another. A direct solution technique requires computational effort which is O(N{sup 2}). Fast multipole methods (FMM) have been widely used in recent years to obtain solutions to these problems requiring a computational effort of only 0 (N lnN) or O (N). In this paper we present an overview of several variations of the fast multipole method along with examples of its use in solving a variety of physical problems.
Simulation of Monopole and Multipole Seismoelectric Logging
Zhiwen Cui
2011-01-01
Full Text Available In a fluid-saturated porous formation, acoustics and electromagnetic waves are coupled based on Pride seismoelectric theory. An exact treatment of the nonaxisymmetric seismoelectric field excited by acoustic multipole sources is presented. The frequency wavenumber domain representations of the acoustic field and associated seismoelectric field due to acoustic multipole sources are formulated. The full waveforms of acoustic waves and electric and magnetic fields in the time domain propagation in borehole are simulated by using discrete wave number integration, and frequency versus axial-wave number responses are presented and analyzed.
High flux film and transition boiling
Witte, L. C.
1993-02-01
An investigation was conducted on the potential for altering the boiling curve through effects of high velocity and high subcooling. Experiments using water and Freon-113 flowing over cylindrical electrical heaters in crossflow were made to see how velocity and subcooling affect the boiling curve, especially the film and transition boiling regions. We sought subcooling levels down to near the freezing points of these two liquids to prove the concept that the critical heat flux and the minimum heat flux could be brought together, thereby averting the transition region altogether. Another emphasis was to gain insight into how the various boiling regions could be represented mathematically on various parts of the heating surface. Motivation for the research grew out of a realization that the effects of very high subcooling and velocity might be to avert the transition boiling altogether so that the unstable part of the boiling curve would not limit the application of high flux devices to temperatures less than the burnout temperatures. Summaries of results from the study are described. It shows that the potential for averting the transition region is good and points the way to further research that is needed to demonstrate the potential.
Suppressing CMB low multipoles with ISW effect
Das, Santanu
2013-01-01
Recent results of Planck data reveal that the power 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 $\\Lambda$CDM model. In this paper we investigate the possibility of invoking the Integrated Sachs-Wolfe (ISW) effect to explain this 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 explai...
Multipole Analysis of Circular Cylindircal Magnetic Systems
Selvaggi, Jerry P. [Rensselaer Polytechnic Inst., Troy, NY (United States)
2005-12-01
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
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.
Multipole shimming of permanent magnets using harmonic corrector rings.
Jachmann, R C; Trease, D R; Bouchard, L-S; Sakellariou, D; Martin, R W; Schlueter, R D; Budinger, T F; Pines, A
2007-03-01
Shimming systems are required to provide sufficient field homogeneity for high resolution nuclear magnetic resonance (NMR). In certain specialized applications, such as rotating-field NMR and mobile ex situ NMR, permanent magnet-based shimming systems can provide considerable advantages. We present a simple two-dimensional shimming method based on harmonic corrector rings which can provide arbitrary multipole order shimming corrections. Results demonstrate, for example, that quadrupolar order shimming improves the linewidth by up to an order of magnitude. An additional order of magnitude reduction is in principle achievable by utilizing this shimming method for z-gradient correction and higher order xy gradients.
Self-similar oscillations of a Z pinch bounded by a magnetic multipole
Tendler, M.
1988-11-01
A new analytic, self-similar solution of the fluid equations with losses in a stabilized Z pinch is presented. A scaling is suggested for the net energy loss with plasma density and temperature typical for a Z pinch immersed in an external multipole magnetic field. The solution of the strongly nonlinear system of fluid equations is obtained by self-similar methods. Strongly aharmonic high frequency oscillations of the plasma parameters are found. It is emphasized that a static Z pinch cannot be stabilized by a stationary field of a magnetic multipole. Therefore the potentiality of these oscillations to affect the stability of Z pinches embedded in a magnetic multipole is investigated. The effect of the dynamic stabilization is considered by taking estimates.
Multipole invariants and non-Gaussianity
Land, K; Land, Kate; Magueijo, Joao
2004-01-01
We propose a framework for separating the information contained in the CMB multipoles, $a_{\\ell m}$, into its algebraically independent components. Thus we cleanly separate information pertaining to the power spectrum, non-Gaussianity and preferred axis effects. The formalism builds upon the recently proposed multipole vectors (Copi, Huterer & Starkman 2003; Schwarz & al 2004; Katz & Weeks 2004), and we elucidate a few features regarding these vectors, namely their lack of statistical independence for a Gaussian random process. In a few cases we explicitly relate our proposed invariants to components of the $n$-point correlation function (power spectrum, bispectrum). We find the invariants' distributions using a mixture of analytical and numerical methods. We also evaluate them for the co-added WMAP first year map.
Analytical expressions for fringe fields in multipole magnets
B. D. Muratori
2015-06-01
Full Text Available 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
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.
Least Square Approximation by Linear Combinations of Multi(Poles).
1983-04-01
ID-R134 069 LEAST SQUARE APPROXIMATION BY LINEAR COMBINATIONS OF i/i MULTI(POLES). 1U OHIO STATE UNIV COLUMBUS DEPT OF GEODETIC SCIENCE AND SURVEY...TR-83-0 117 LEAST SQUARE APPROXIMATION BY LINEAR COMBINATIONS OF (MULTI)POLES WILLI FREEDEN DEPARTMENT OF GEODETIC SCIENCE AND SURVEYING THE OHIO...Subtitle) S. TYPE OF REPORT & PERIOD COVERED LEAST SQUARE APPROXIMATION BY LINEAR Scientific Report No. 3 COMBINATIONS OF (MULTI)POLES 6. PERFORMING ORG
Optimal design of a new multipole bilayer magnetorheological brake
Shiao, Yaojung; Ngoc, Nguyen Anh; Lai, Chien-Hung
2016-11-01
This article presents a new high-torque multipole bilayer magneto-rheological brake (MRB). This MRB has a unique structural design with multiple electromagnetic poles and multiple media layers of magnetorheological fluid (MRF). The MRB has two rotors located on the outer and inner sides of a six-pole stator, and therefore, it can provide higher torque and a larger torque-to-volume ratio (TVR) than conventional single- or multipole single-layer MRBs can. Moreover, the problem of potential MRF leakage is solved by using cylindrical separator rings around the stator. In this study, first, the structure of the proposed MRB is introduced. An analog magnetic circuit was built for the MRB to investigate the effects of the MRB parameters on the magnetic field intensity of the MRF layers. In addition, a 3D electromagnetic model of the MRB was developed to simulate and examine the magnetic flux intensity and corresponding braking torque. An approximate optimization method was then applied to obtain the optimal geometric dimensions for the major dimensional parameters of the MRB. The MRB was manufactured and tested to validate its torque and dynamic characteristics. The results showed that the proposed MRB exhibited great enhancement of the braking torque and TVR.
Alleviating the tension at low multipole through Axion Monodromy
Meerburg, P Daniel
2014-01-01
There exists some tension on large scales between the Planck data and the LCDM concordance model of the Universe, which has been amplified by the recently claimed discovery of non-zero tensor to scalar ratio $r$. At the same time, the current best-fit value of $r$ suggests large field inflation delta phi>M_p, which requires a UV complete description of inflation. A very promising working example that predicts large tensor modes and can be UV completed is axion monodromy inflation. This realization of inflation naturally produces oscillating features, as consequence of a broken shift symmetry. We analyse a combination of Planck, ACT, SPT, WMAP low l polarization and BICEP2 data, and show a long wavelength feature from a periodic potential can alleviate the tension at low multipoles with an improvement delta chi^2 ~2.5-4 per degree of freedom, depending on the level of foreground subtraction. As with an introduction of running, one expects that any scale dependence should lead to a worsened fit at high multipol...
On the Fly Doppler Broadening Using Multipole Representation
Khassenov, Azamat; Choi, Sooyoung; Lee, Deokjung [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)
2015-05-15
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.
Complex space multipole theory for scattering and diffraction problems
Lindell, Ismo V.; Nikoskinen, Keijo I.
1987-01-01
Classical multipole theory can be extended to multipoles located in complex space and applied in scattering and diffraction problems with the advantage that, if the point of the multipole is correctly chosen, the first term may give an order of magnitude better approximation to the source than when the multipole is in real space. The basic theory, given elsewhere, is presented here in a more straightforward manner and the improvement in radiation pattern is demonstrated for sources of constant polarization. Applications on scattering by spheroidal dielectric bodies and diffraction by a dielectric half-space are discussed.
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
Wu, Xiongwu; Pickard, Frank C.; Brooks, Bernard R.
2016-10-01
Isotropic periodic sum (IPS) is a method to calculate long-range interactions based on the homogeneity of simulation systems. By using the isotropic periodic images of a local region to represent remote structures, long-range interactions become a function of the local conformation. This function is called the IPS potential; it folds long-ranged interactions into a short-ranged potential and can be calculated as efficiently as a cutoff method. It has been demonstrated that the IPS method produces consistent simulation results, including free energies, as the particle mesh Ewald (PME) method. By introducing the multipole homogeneous background approximation, this work derives multipole IPS potentials, abbreviated as IPSMm, with m being the maximum order of multipole interactions. To efficiently calculate the multipole interactions in Cartesian space, we propose a vector relation that calculates a multipole tensor as a dot product of a radial potential vector and a directional vector. Using model systems with charges, dipoles, and/or quadrupoles, with and without polarizability, we demonstrate that multipole interactions of order m can be described accurately with the multipole IPS potential of order 2 or m - 1, whichever is higher. Through simulations with the multipole IPS potentials, we examined energetic, structural, and dynamic properties of the model systems and demonstrated that the multipole IPS potentials produce very similar results as PME with a local region radius (cutoff distance) as small as 6 Å.
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.
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.
Reflection and refraction of multipole radiation by an interface.
Arnoldus, Henk F
2005-01-01
Reflection and refraction of electromagnetic multipole radiation by an interface is studied. The multipole can be electric or magnetic and is of arbitrary order (dipole, quadrupole). From the angular spectrum representation of the radiation emitted by the multipole, I have obtained the angular spectrum representations of the reflected and transmitted fields, which involve the Fresnel reflection and transmission coefficients. The intensity distribution in the far field is evaluated with the method of stationary phase. The result is very simple in appearance and can be expressed in terms of two auxiliary functions of a complex variable. By exchanging the Fresnel coefficients for s and p polarization, the result for an electric multipole can be obtained from the result for a magnetic multipole.
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.
The Multipole Vectors of WMAP, and their frames and invariants
Land, K; Land, Kate; Magueijo, Joao
2005-01-01
We investigate the Statistical Isotropy and Gaussianity of the CMB fluctuations, using a set of multipole vector functions capable of separating these two issues. In general a multipole is broken into a frame and $2\\ell-3$ ordered invariants. The multipole frame is found to be suitably sensitive to galactic cuts. We then apply our method to real WMAP datasets; a coadded masked map, the Internal Linear Combinations map, and Wiener filtered and cleaned maps. Taken as a whole, multipoles in the range $\\ell=2-10$ or $\\ell=2-20$ show consistency with statistical isotropy, as proved by the Kolmogorov test applied to the frame's Euler angles. This result in {\\it not} inconsistent with previous claims for a preferred direction in the sky for $\\ell=2,...5$. The multipole invariants also show overall consistency with Gaussianity apart from a few anomalies of limited significance (98%), listed at the end of this paper.
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.
Multipole charge conservation and implications on electromagnetic radiation
Seraj, Ali
2016-01-01
It is shown that conserved charges associated with a specific subclass of gauge symmetries of Maxwell electrodynamics are proportional to the well known electric multipole moments. The symmetries are residual gauge transformations surviving after fixing the Lorenz gauge, and have nontrivial charge. These "Multipole charges" receive contributions both from the charged matter and electromagnetic fields. The former is nothing but the electric multipole moment of the source. In a stationary configuration, there is a novel equipartition relation between the two contributions. The multipole charge, while conserved, can freely interpolate between the source and the electromagnetic field, and therefore can be propagated with the radiation. Using the multipole charge conservation, we obtain infinite number of constraints over the radiation produced by the dynamics of charged matter.
Couch, Sean M.; Graziani, Carlo; Flocke, Norbert
2013-12-01
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 in arbitrary coordinate systems 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 l max. By introducing a global measure of angular power in the gravitational field, we show that the optimal coordinate for the expansion is the square-density-weighted mean location. We subject our new multipole self-gravity algorithm, implemented in the FLASH simulation framework, to two rigorous test problems: MacLaurin spheroids for which exact analytic solutions are known, and core-collapse supernovae. We show that key observables of the core-collapse simulations, particularly shock expansion, proto-neutron star motion, and momentum conservation, are extremely sensitive to the accuracy of the multipole gravity, and the accuracy of their computation is greatly improved by our reformulated solver.
Fast Multipole-Based Preconditioner for Sparse Iterative Solvers
Ibeid, Huda
2014-05-04
Among optimal hierarchical algorithms for the computational solution of elliptic problems, the Fast Multipole Method (FMM) stands out for its adaptability to emerging architectures, having high arithmetic intensity, tunable accuracy, and relaxed global synchronization requirements. We demonstrate that, beyond its traditional use as a solver in problems for which explicit free-space kernel representations are available, the FMM has applicability as a preconditioner in finite domain elliptic boundary value problems, by equipping it with boundary integral capability for finite boundaries and by wrapping it in a Krylov method for extensibility to more general operators. Compared with multilevel methods, it is capable of comparable algebraic convergence rates down to the truncation error of the discretized PDE, and it has superior multicore and distributed memory scalability properties on commodity architecture supercomputers.
Collisionless Spectral Kinetic Simulation of Ideal Multipole Resonance Probe
Gong, Junbo; Wilczek, Sebastian; Szeremley, Daniel; Oberrath, Jens; Eremin, Denis; Dobrygin, Wladislaw; Schilling, Christian; Friedrichs, Michael; Brinkmann, Ralf Peter
2016-09-01
Active Plasma Resonance Spectroscopy denotes a class of industry-compatible plasma diagnostic methods which utilize the natural ability of plasmas to resonate on or near the electron plasma frequency ωpe. One particular realization of APRS with a high degree of geometric and electric symmetry is the Multipole Resonance Probe (MRP). The Ideal MRP(IMRP) is an even more symmetric idealization which is suited for theoretical investigations. In this work, a spectral kinetic scheme is presented to investigate the behavior of the IMRP in the low pressure regime. However, due to the velocity difference, electrons are treated as particles whereas ions are only considered as stationary background. In the scheme, the particle pusher integrates the equations of motion for the studied particles, the Poisson solver determines the electric field at each particle position. The proposed method overcomes the limitation of the cold plasma model and covers kinetic effects like collisionless damping.
Elliptical multipole wiggler beamlines at the advanced photon source
Beno, M.A. E-mail: beno@anl.gov; Kurtz, C.; Munkholm, A.; Ruett, U.; Engbretson, M.; Jennings, G.; Linton, J.; Knapp, G.S.; Montano, P.A
2001-07-21
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.
An adaptive fast multipole accelerated Poisson solver for complex geometries
Askham, T.; Cerfon, A. J.
2017-09-01
We present a fast, direct and adaptive Poisson solver for complex two-dimensional geometries based on potential theory and fast multipole acceleration. More precisely, the solver relies on the standard decomposition of the solution as the sum of a volume integral to account for the source distribution and a layer potential to enforce the desired boundary condition. The volume integral is computed by applying the FMM on a square box that encloses the domain of interest. For the sake of efficiency and convergence acceleration, we first extend the source distribution (the right-hand side in the Poisson equation) to the enclosing box as a C0 function using a fast, boundary integral-based method. We demonstrate on multiply connected domains with irregular boundaries that this continuous extension leads to high accuracy without excessive adaptive refinement near the boundary and, as a result, to an extremely efficient ;black box; fast solver.
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...
Limitation of Multipoles in BOSS DR12 results
Lee, Seokcheon
2016-01-01
Recently, the power spectrum (PS) multipoles using the Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 12 (DR12) sample are analyzed \\cite{160703150}. Even though the based model for the analysis is the so-called TNS quasi-linear model including the multipole up to the eighth order in the window function \\cite{TNS}, the analysis provides the multipoles up to the hexadecapole. Thus, one might be able to recover the galaxy PS by using the combination of multipoles to investigate the cosmology \\cite{0407214}. We provide the analytic form of this combination of multipoles of the quasi-linear PS including the Fingers of God (FoG) effect to recover the PS at the linear regime. In order to confirm the consistency of the multipole data, we compare the multipole ratios of the linear theory including the FoG effect with those of observation. The data of the ratio of quadrupole to monopole is consistent with that of the linear theory prediction even though the current observational error is too large to dist...
Polarizable Atomic Multipole Solutes in a Poisson-Boltzmann Continuum
Schnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W.
2008-01-01
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 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 (PBE). Only recently have the classical force fields used for studying biomolecules begun to include explicit polarization in their functional forms. Here we 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 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 150 mM salt lowered the electrostatic solvation energy between 2–13 kcal/mole, depending on the formal charge of the protein, but had only a
Harpsøe, Kennet Bomann West; Hardis, S.; Hinse, T. C.;
2012-01-01
Aims: We present 11 high-precision photometric transit observations of the transiting super-Earth planet GJ1214b. Combining these data with observations from other authors, we investigate the ephemeris for possible signs of transit timing variations (TTVs) using a Bayesian approach. Methods......: The observations are used to determine the photometric parameters and the physical properties of the GJ1214 system. Our results are in good agreement with published values. Individual times of mid-transit are measured with uncertainties as low as 10s, allowing us to reduce the uncertainty in the orbital period...
Multipole moments of bumpy black holes
Vigeland, Sarah J
2010-01-01
General relativity predicts the existence of black holes, compact objects whose spacetimes depend on only their mass and spin (the famous "no hair" theorem). As various observations probe deeper into the strong fields of black hole candidates, it is becoming possible to test this prediction. Previous work suggested that such tests can be performed by measuring whether the multipolar structure of black hole candidates has the form that general relativity demands, and introduced a family of "bumpy black hole" spacetimes to be used for making these measurements. These spacetimes are black holes with the "wrong" multipoles, where the deviation from general relativity depends on the spacetime's "bumpiness." In this paper, we show how to compute the Geroch-Hansen moments of a bumpy black hole, demonstrating that there is a clean mapping between the deviations used in the bumpy black hole formalism and the Geroch-Hansen moments. We also extend our previous results to define bumpy black holes whose {\\it current} mome...
High flux film and transition boiling
Witte, L.C.
1990-01-01
This report is a bench-scale experiment on transition boiling. The author gives a detailed description on experimental apparatus and conditions. The visual observed boiling phenomena; nucleate boiling and film boiling, and the effect of heat transfer are also elucidated. 10 refs., 11 figs., 1 tab.
Cyber High School Students' Transition to a Traditional University
Gracey, Dorothy M.
2010-01-01
This mixed-method study identifies cyber high school graduates' perceptions of the effect of a cyber high school education on successful transition to a traditional university. The study examined students' perceptions of the advantages and disadvantages their cyber education experience contributed to their academic and social transition to…
Multipole Matrix of Green Function of Laplace Equation
Makuch, K.; Górka, P.
Multipole matrix elements of Green function of Laplace equation are calculated. The multipole matrix elements of Green function in electrostatics describe potential on a sphere which is produced by a charge distributed on the surface of a different (possibly overlapping) sphere of the same radius. The matrix elements are defined by double convolution of two spherical harmonics with the Green function of Laplace equation. The method we use relies on the fact that in the Fourier space the double convolution has simple form. Therefore we calculate the multipole matrix from its Fourier transform. An important part of our considerations is simplification of the three dimensional Fourier transformation of general multipole matrix by its rotational symmetry to the one-dimensional Hankel transformation.
Simulation of transition dynamics to high confinement in fusion plasmas
Nielsen, A H; Madsen, J; Naulin, V; Rasmussen, J Juul; Wan, B N
2014-01-01
The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in close agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particularly, the slow transition with an intermediate dithering phase is well reproduced by the numerical solutions. Additionally, the model reproduces the experimentally determined L-H transition power threshold scaling that the ion power threshold increases with increasing particle density. The results hold promise for developing predictive models of the transition, essential for understanding and optimizing future fusion power reactors.
Elastic phase transitions in metals at high pressures.
Krasilnikov, O M; Vekilov, Yu Kh; Mosyagin, I Yu; Isaev, E I; Bondarenko, N G
2012-04-19
The elastic phase transitions of cubic metals at high pressures are investigated within the framework of Landau theory. It is shown that at pressures comparable with the magnitude of the bulk modulus the phase transition is connected with the loss of stability relative to uniform deformation of the crystalline lattice. Discontinuity of the order parameter at the transition point and its equilibrium value are expressed through the second- to fourth-order elastic constants. The second-,third- and fourth-order elastic constants and phonon dispersion curves of vanadium under hydrostatic pressure are obtained by first-principles calculations. Structural transformation in vanadium under pressure is studied using the obtained results. It is shown that the experimentally observed at P ≈ 69 GPa phase transition in vanadium is the first-order phase transition close to a second-order phase transition.
Efficient evaluation of antenna fields by a time-domain multipole analysis
J. Adam
2009-05-01
Full Text Available The contribution describes a systematic method to efficiently determine frequency-domain electromagnetic antenna fields and characteristics for a broad spectrum via a single time-domain (e.g., Finite-Difference Time-Domain, FDTD calculation. From a time-domain simulation of an antenna driven by a wide-band signal, a single modified Fourier transformation yields the frequency-domain multipole amplitudes. The corresponding multipole expansions are valid for the entire spectrum of the input pulse and at any point outside a minimum sphere enclosing the antenna. This allows a computationally cheap and elegant post-processing of arbitrary antenna characteristics. As an example of use the method is applied to determine high-resolution three-dimensional radiation patterns of an antipodal Vivaldi antenna.
The symmetry group and harmonic potentials of an electrostatic generalized multipole
李钰
1995-01-01
The concept of an electrostatic ordinary multipole has been extended to an electrostatic generalized multipole which consists of a pair of close placed electrostatic ordinary multipole and electrostatic round lens. The definition of the M function for an electrostatic ordinary multipole has been extended to that of the M function for an electrostatic generalized multipole. The relation between the symmetry group of anelectrostaticordinary multipole and that of its corresponding electrostatic generalized multipole, and the relation between their constraint relations among their mth partial harmonic potentials have been derived. By analyzing some important electrostatic generalized multipoles, it is concluded that if an electrostatic deflector-multipole and an electrostatic round lens are placed close to each other , one cannot assert that this combined system can always be treated by the aberration theory of a combined focusing-deflection system.
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.
Kaon photoproduction in a multipole approach
Mart, T
2006-01-01
The recently published experimental data on K+Lambda photoproduction by the SAPHIR, CLAS, and LEPS collaborations are analyzed by means of a multipole approach. For this purpose the background amplitudes are constructed from appropriate Feynman diagrams in a gauge-invariant and crossing-symmetric fashion. The results of our calculation emphasize the lack of mutual consistency between the SAPHIR and CLAS data previously found by several independent research groups, whereas the LEPS data are found to be more consistent with those of CLAS. The use of SAPHIR and CLAS data, individually or simultaneously, leads to quite different resonance parameters which, therefore, could lead to different conclusions on ``missing resonances''. Fitting to the SAPHIR and LEPS data simultaneously indicates that the S_{11}(1650), P_{13}(1720), D_{13}(1700), D_{13}(2080), F_{15}(1680), and F_{15}(2000) resonances are required, while fitting to the combination of CLAS and LEPS data leads alternatively to the P_{13}(1900), D_{13}(2080...
Kaneko, K; Sun, Y; Tazaki, S
2015-01-01
The recently-proposed effective shell-model interaction, the pairing-plus-multipole Hamiltonian with the monopole interaction obtained by empirical fits starting from the monopole-based universal force (PMMU), is systematically applied to nuclei of the pf5/2g9/2 shell region. It is demonstrated that the calculation describes reasonably well a wide range of experimental data, including not only the low-lying and high-excitation spectra, E2 transitions, quadrupole moments, and magnetic moments, but also the binding energies, for Ni, Cu, Zn, Ga, Ge, As, and Se isotopes with A=64-80. In particular, a structure of the neutron-rich Ge and Se isotopes is discussed in detail.
Optical transitions in semiconductor nanostructures
Rupasov, Valery I. [ALTAIR Center LLC, Shrewsbury, MA 01545 (United States) and Landau Institute for Theoretical Physics, Moscow (Russian Federation)]. E-mail: rupasov@townisp.com
2007-03-19
Employing the Maxwell equations and conventional boundary conditions for the radiation field on the nanostructure interfaces, we compute the radiative spontaneous decay rate of optical transitions in spherical semiconductor nanocrystals, core-shell nanocrystals and nanostructures comprising more than one shell. We also show that the coupling between optical transitions localized in the shell of core-shell nanocrystals and radiation field is determined by both conventional electro-multipole momenta and electro-multipole 'inverse' momenta. The latter are proportional to the core radius even for interband transitions that should result in very strong optical transitions.
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.
Measurement of the N to Delta(1232) Transition at High Momentum Transfer by pi0 Electroproduction
Ungaro, M; Aznauryan, I; Burkert, V D; Joo, K; Smith, L C; Adams, G; Amarian, M; Ambrozewicz, P; Anghinolfi, M; Asryan, G; Audit, G; Avakian, H; Bagdasaryan, H; Ball, J P; Baltzell, N A; Barrow, S; Batourine, V; Battaglieri, M; Bedliski, I; Bektasoglu, M; Bellis, M; Benmouna, N; Berman, B L; Biselli, A S; Bonner, B E; Bouchigny, S; Boiarinov, S; Bradford, R; Branford, D; Briscoe, W J; Brooks, W K; Bültmann, S; Butuceanu, C; Calarco, J R; Careccia, S L; Carman, D S; Cazes, A; Chen, S; Cole, P L; Coltharp, P; Cords, D; Corvisiero, P; Crabb, D; Cummings, J P; De Sanctis, E; De Vita, R; Degtyarenko, P V; Denizli, H; Dennis, L; Deur, A; Dharmawardane, K V; Djalali, C; Dodge, G E; Donnelly, J; Doughty, D; Dugger, M; Dytman, S; Dzyubak, O P; Egiyan, H; Egiyan, K S; Elouadrhiri, L; Eugenio, P; Fatemi, R; Fedotov, G; Feldman, G; Feuerbach, R J; Funsten, H; Garçon, M; Gavalian, G; Gilfoyle, G P; Giovanetti, K L; Girod, F X; Goetz, J; Gordon, C I O; Gothe, R W; Griffioen, K A; Guidal, M; Guillo, M; Guler, N; Guo, L; Gyurjyan, V; Hadjidakis, C; Hakobyan, R S; Hardie, J; Heddle, D; Hersman, F W; Hleiqawi, I; Holtrop, M; Hicks, K; Hyde-Wright, C E; Ilieva, Y; Ireland, D G; Ishkhanov, B S; Ito, M M; Jenkins, D; Jo, H S; Jüngst, H G; Kellie, J D; Khandaker, M; Kim, W; Klein, A; Klein, F J; Klimenko, A V; Kossov, M; Kramer, L H; Kubarovski, V; Kühn, J; Kuhn, S E; Lachniet, J; Laget, J M; Langheinrich, J; Lawrence, D; Lee, T; Ji Li; Livingston, K; Marchand, C; Markov, N; McAleer, S; McKinnon, B; McNabb, J W C; Mecking, B A; Mehrabyan, S S; Melone, J J; Mestayer, M D; Meyer, C A; Mikhailov, K; Minehart, R C; Mirazita, M; Miskimen, R; Mokeev, V; Morand, L; Morrow, S A; Müller, J; Mutchler, G S; Napolitano, J; Nasseripour, R; Niccolai, S; Niculescu, G; Niculescu, I; Niczyporuk, B B; Niroula, M; Niyazov, R A; Nozar, M; O'Rielly, G V; Osipenko, M; Ostrovidov, A I; Park, K; Pasyuk, E; Philips, S A; Pivnyuk, N; Pocanic, D; Pogorelko, O I; Polli, E; Pozdniakov, S; Preedom, B M; Price, J W; Prok, Y; Protopopescu, D; Qin, L M; Raue, B A; Riccardi, G; Ricco, G; Ripani, M; Ritchie, B G; Ronchetti, F; Rosner, G; Rossi, P; Rubin, P D; Sabatie, F; Salgado, C; Santoro, J P; Sapunenko, V; Schumacher, R A; Serov, V S; Sharabyan, Yu G; Skabelin, A V; Smith, E S; Sober, D I; Stavinsky, A V; Stepanyan, S S; Stepanyan, S; Stokes, B E; Strakovsky, I I; Strauch, S; Taiuti, M; Tedeschi, D J; Thoma, U; Tkabladze, A; Todor, L; Tkachenko, S I; Tur, C; Vineyard, M F; Vlassov, A V; Weinstein, L B; Weygand, D P; Williams, M; Wolin, E; Wood, M H; Yegneswaran, A; Zana, L; Zhang, B; Zhang, J; Zhao, B
2006-01-01
We report a new measurement of the exclusive electroproduction reaction gamma* p -> pi0 p to explore the evolution from soft non-perturbative physics to hard processes via the Q2 dependence of the magnetic (M1+), electric (E1+) and scalar (S1+) multipoles in the N to Delta transition. 9000 differential cross section data points cover W from threshold to 1.4 eV/c2, 4pi center-of-mass solid angle, and Q2 from 3 to 6 GeV2/c2, the highest yet achieved. It is found that the magnetic form factor G*M decreases with Q2 more steeply than the proton magnetic form factor, the ratio E1+/M1+ is small and negative, indicating strong helicity non-conservation, and the ratio S1+/M1+ is negative, while its magnitude increases with Q2.
M. Ungaro; P. Stoler; I. Aznauryan; V. D. Burkert; K. Joo; L. C. Smith; G. Adams; M. Amarian; P. Ambrozewicz; M. Anghinolfi; G. Asryan; G. Audit; H. Avakian; H. Bagdasaryan; J. P. Ball; N. A. Baltzell; S. Barrow; V. Batourine; M. Battaglieri; I. Bedliski; M. Bektasoglu; M. Bellis; N. Benmouna; B. L. Berman; A. S. Biselli; B. E. Bonner; S. Bouchigny; S. Boiarinov; R. Bradford; D. Branford; W. J. Briscoe; W. K. Brooks; S. Bültmann; C. Butuceanu; J. R. Calarco; S. L. Careccia; D. S. Carman; A. Cazes; S. Chen; P. L. Cole; P. Coltharp; D. Cords; P. Corvisiero; D. Crabb; J. P. Cummings; E. De Sanctis; R. DeVita; P. V. Degtyarenko; H. Denizli; L. Dennis; A. Deur; K. V. Dharmawardane; C. Djalali; G. E. Dodge; J. Donnelly; D. Doughty; M. Dugger; S. Dytman; O. P. Dzyubak; H. Egiyan; K. S. Egiyan; L. Elouadrhiri; P. Eugenio; R. Fatemi; G. Fedotov; G. Feldman; R. J. Feuerbach; H. Funsten; M. Garçon; G. Gavalian; G. P. Gilfoyle; K. L. Giovanetti; F. X. Girod; J. Goetz; C. I. O. Gordon; R. W. Gothe; K. A. Griffioen; M. Guidal; M. Guillo; N. Guler; L. Guo; V. Gyurjyan; C. Hadjidakis; R. S. Hakobyan; J. Hardie; D. Heddle; F. W. Hersman; I. Hleiqawi; M. Holtrop; K. Hicks; C. E. Hyde-Wright; Y. Ilieva; D. G. Ireland; B. S. Ishkhanov; M. M. Ito; D. Jenkins; H. S. Jo; H. G. Juengst; J. D. Kellie; M. Khandaker; W. Kim; A. Klein; F. J. Klein; A. V. Klimenko; M. Kossov; L. H. Kramer; V. Kubarovsky; J. Kuhn; S. E. Kuhn; J. Lachniet; J. M. Laget; J. Langheinrich; D. Lawrence; T. Lee; Ji Li; K. Livingston; C. Marchand; N. Markov; S. McAleer; B. McKinnon; J. W. C. McNabb; B. A. Mecking; S. Mehrabyan; J. J. Melone; M. D. Mestayer; C. A. Meyer; K. Mikhailov; R. Minehart; M. Mirazita; R. Miskimen; V. Mokeev; L. Morand; S. A. Morrow; J. Mueller; G. S. Mutchler; J. Napolitano; R. Nasseripour; S. Niccolai; G. Niculescu; I. Niculescu; B. B. Niczyporuk; M. Niroula; R. A. Niyazov; M. Nozar; G. V. O' Rielly; M. Osipenko; A. I. Ostrovidov; K. Park; E. Pasyuk; S. A. Philips; N. Pivnyuk; D. Pocanic; O. Pogorelko; E. Polli; S. Pozdniakov; B. M. Preedom; J. W. Price; Y. Prok; D. Protopopescu; L. M. Qin; B. A. Raue; G. Riccardi; G. Ricco; M. Ripani; B. G. Ritchie; F. Ronchetti; G. Rosner; P. Rossi; P. D. Rubin; F. Sabatié; C. Salgado; J. P. Santoro; V. Sapunenko; R. A. Schumacher; V. S. Serov; Y. G. Sharabian; A. V. Skabelin; E. S. Smith; D. I. Sober; A. Stavinsky; S. S. Stepanyan; S. Stepanyan; B. E. Stokes; I. I. Strakovsky; S. Strauch; M. Taiuti; D. J. Tedeschi; U. Thoma; A. Tkabladze; L. Todor; S. Tkachenko; C. Tur; M. F. Vineyard; A. V. Vlassov; L. B. Weinstein; D. P. Weygand; M. Williams; E. Wolin; M. H. Wood; A. Yegneswaran; L. Zana; B. Zhang; J. Zhang; and B. Zhao
2006-09-01
We report a new measurement of the exclusive electroproduction reaction gamma*_p --> pi0_p to explore the evolution from soft nonperturbative physics to hard processes via the Q2 dependence of the magnetic (M1+), electric (E1+), and scalar (S1+) multipoles in the N --> Delta transition. 9000 differential cross section data points cover W from threshold to 1.4 GeV/c2, 4pi center-of-mass solid angle, and Q2 from 3 to 6 GeV2/c2, the highest yet achieved. It is found that the magnetic form factor G^*M decreases with Q2 more steeply than the proton magnetic form factor, the ratio E1+/M1+ is small and negative, indicating strong helicity nonconservation, and the ratio S1+/M1+ is negative, while its magnitude increases with Q2.
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.
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.
Structural transition of FeSe under high pressure
Li Wei; Chen Jun-Fang; He Qin-Yu; Wang Teng; Pan Zhong-Liang
2011-01-01
The density functional calculations of the energy band structure and density of state for the tetragonal PbO-type phase α-FeSe and hexagonal NiAs-type phase β-FeSe are reported in this paper. The structural phase transition from tetragonal to hexagonal FeSe under high pressure is investigated, it is found that the calculated transition pressure for the α→β phase transformation is 8.5 GPa. Some fluctuations in the transition pressure maybe occurred by different external factors such as temperature and stress condition. There is about 17% volume collapse accompanying the α→β phase transformation.
Highly birefringent crystal for Raman transitions with phase modulators
Arias, Nieves; Abediyeh, Vahide; Hamzeloui, Saeed; Jeronimo-Moreno, Yasser; Gomez, Eduardo
2016-05-01
We present a system to excite Raman transitions with minimum phase noise. The system uses a phase modulator to generate the phase locked beams required for the transition. We use a long calcite crystal to filter out one of the sidebands, avoiding the cancellation that appears at high detunings for phase modulation. The measured phase noise is limited by the quality of the microwave synthesizer. We use the calcite crystal a second time to produce a co-propagating Raman pair with perpendicular polarizations to drive velocity insensitive Raman transitions. Support from CONACYT and Fundacion Marcos Moshinsky.
Simulation of transition dynamics to high confinement in fusion plasmas
Nielsen, Anders Henry; Xu, G. S.; Madsen, Jens;
2015-01-01
The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST. Particula......The transition dynamics from the low (L) to the high (H) confinement mode in magnetically confined plasmas is investigated using a first-principles four-field fluid model. Numerical results are in agreement with measurements from the Experimental Advanced Superconducting Tokamak - EAST....... Particularly, the slow transition with an intermediate dithering phase is well reproduced at proper parameters. The model recovers the power threshold for the L-H transition as well as the decrease in power threshold switching from single to double null configuration observed experimentally. The results...
Multipole analysis of redshift-space distortions around cosmic voids
Hamaus, Nico; Cousinou, Marie-Claude; Pisani, Alice; Aubert, Marie; Escoffier, Stéphanie; Weller, Jochen
2017-07-01
We perform a comprehensive redshift-space distortion analysis based on cosmic voids in the large-scale distribution of galaxies observed with the Sloan Digital Sky Survey. To this end, we measure multipoles of the void-galaxy cross-correlation function and compare them with standard model predictions in cosmology. Merely considering linear-order theory allows us to accurately describe the data on the entire available range of scales and to probe void-centric distances down to about 2 h-1Mpc. Common systematics, such as the Fingers-of-God effect, scale-dependent galaxy bias, and nonlinear clustering do not seem to play a significant role in our analysis. We constrain the growth rate of structure via the redshift-space distortion parameter β at two median redshifts, β(bar z=0.32)=0.599+0.134-0.124 and β(bar z=0.54)=0.457+0.056-0.054, with a precision that is competitive with state-of-the-art galaxy-clustering results. While the high-redshift constraint perfectly agrees with model expectations, we observe a mild 2σ deviation at bar z=0.32, which increases to 3σ when the data is restricted to the lowest available redshift range of 0.15
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.
Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W
2015-07-23
A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.
Michels, M.A.J.; Suttorp, L.G.
1972-01-01
The multipole expansion of the retarded interatomic dispersion energy is evaluated in the spherical-tensor formalism. The multipole expansion of the electrostatic dispersion energy follows as a special case.
A parallel fast multipole method for elliptic difference equations
Liska, Sebastian
2014-01-01
A new fast multipole formulation for solving elliptic PDEs on unbounded domains and its parallel implementation are presented. This method formally discretizes the PDE on an infinite Cartesian grid, and then solves the corresponding difference equations. In the analog to solving continuous inhomogeneous differential equations using Green's functions, the proposed method uses the fundamental solution of the discrete operator on an infinite grid, or lattice Green's function. Fast solutions O(N) are achieved by using a kernel-independent interpolation-based fast multipole method. Unlike other fast multipole algorithms, our approach exploits the regularity of the underlying Cartesian grid and the efficiency of FFTs to reduce the computation time. Our parallel implementation allows communications and computations to be overlapped and requires minimal global synchronization. The accuracy, efficiency, and parallel performance of the method are demonstrated through numerical experiments on the discrete 3D Poisson equ...
Advanced multipoles for accelerator magnets theoretical analysis and their measurement
Schnizer, Pierre
2017-01-01
This monograph presents research on the transversal beam dynamics of accelerators and evaluates and describes the respective magnetic field homogeneity. The widely used cylindrical circular multipoles have disadvantages for elliptical apertures or curved trajectories, and the book also introduces new types of advanced multipole magnets, detailing their application, as well as the numerical data and measurements obtained. The research presented here provides more precise descriptions of the field and better estimates of the beam dynamics. Moreover, the effects of field inhomogeneity can be estimated with higher precision than before. These findings are further elaborated to demonstrate their usefulness for real magnets and accelerator set ups, showing their advantages over cylindrical circular multipoles. The research findings are complemented with data obtained from the new superconducting beam guiding magnet models (SIS100) for the FAIR (Facility for Antiproton and Ion Research) project. Lastly, the book...
Gaussian translation operator for Multi-Level Fast Multipole Method
Borries, Oscar Peter; Hansen, Per Christian; Sorensen, Stig B.
2014-01-01
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....
Analysis of the diamagnetic effect in multipole Galatea traps
Bishaev, A. M.; Bugrova, A. I.; Gavrikov, M. B.; Kozintseva, M. V.; Lipatov, A. S.; Savel'ev, V. V.; Sigov, A. S.; Smirnov, P. G.; Tarelkin, I. A.; Khramtsov, P. P.
2013-04-01
The toroidal current emerging after the injection of a plasmoid through the magnetic shell of the Trimyx-3M (microwave) multipole trap is measured using the Rogowski loop. This current is due to diamagnetism of the plasma. The relation between the diamagnetic current and the maximal plasma pressure produced at the magnetic field separatrix is obtained. It is shown hence that magnetic measurements in a multi-pole trap for a known concentration make it possible to determine the plasma temperature in the trap and the energy confinement time.
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...... models of nonlocal nonlinearity and suggest that the stabilization mechanism is a generic property of a spatial nonlocal nonlinear response independent of its particular functional form.......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 different...
Fluorinated epoxy resins with high glass transition temperatures
Griffith, James R.
1991-01-01
Easily processed liquid resins of low dielectric constants and high glass transition temperatures are useful for the manufacture of certain composite electronic boards. That combination of properties is difficult to acquire when dielectric constants are below 2.5, glass transition temperatures are above 200 C and processability is of conventional practicality. A recently issued patent (US 4,981,941 of 1 Jan. 1991) teaches practical materials and is the culmination of 23 years of research and effort and 15 patents owned by the Navy in the field of fluorinated resins of several classes. In addition to high fluorine content, practical utility was emphasized.
A Guide to Electronic Multipoles in Photon Scattering and Absorption
Lovesey, Stephen William; Balcar, Ewald
2013-02-01
The practice of replacing matrix elements in atomic calculations by those of convenient operators with strong physical appeal has a long history, and in condensed matter physics it is perhaps best known through use of operator equivalents in electron resonance by Elliott and Stevens. Likewise, electronic multipoles, created with irreducible spherical-tensors, to represent charge-like and magnetic-like quantities are widespread in modern physics. Examples in recent headlines include a magnetic charge (a monopole), an anapole (a dipole) and a triakontadipole (a magnetic-like atomic multipole of rank 5). In this communication, we aim to guide the reader through use of atomic, spherical multipoles in photon scattering, and resonant Bragg diffraction and dichroic signals in particular. Applications to copper oxide CuO and neptunium dioxide (NpO2) are described. In keeping with it being a simple guide, there is sparse use in the communication of algebra and expressions are gathered from the published literature and not derived, even when central to the exposition. An exception is a thorough grounding, contained in an Appendix, for an appropriate version of the photon scattering length based on quantum electrodynamics. A theme of the guide is application of symmetry in scattering, in particular constraints imposed on results by symmetry in crystals. To this end, a second Appendix catalogues constraints on multipoles imposed by symmetry in crystal point-groups.
Two-center-multipole expansion method: application to macromolecular systems
Solov'yov, Ilia; Yakubovich, Alexander V.; Solov'yov, Andrey V.;
2007-01-01
We propose a theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an alternative to the well-known fast multipole method. Its...
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).
Improved Multilevel Fast Multipole Method for Higher-Order discretizations
Borries, Oscar Peter; Meincke, Peter; Jorgensen, Erik
2014-01-01
The Multilevel Fast Multipole Method (MLFMM) allows for a reduced computational complexity when solving electromagnetic scattering problems. Combining this with the reduced number of unknowns provided by Higher-Order discretizations has proven to be a difficult task, with the general conclusion b...
High-Cadence Transit Timing Variation Monitoring of Extrasolar Planets
Naef D.
2011-02-01
Full Text Available We report ground-based high-cadence transit timing observations of the extrasolar planet WASP-2b. We achieve a typical timing error of 15-30 sec. The data show no signiﬁcant deviations from the predicted ephemeris.
Transition of control in highly automated vehicles : a literature review.
Vlakveld, W.P.
2016-01-01
The Directorate-General of Highways, Waterways, and Water Systems (Rijkswaterstaat in Dutch) of the Ministry of Infrastructure and the Environment (Ministerie van Infrastructuur en Milieu (IenM) in Dutch) has commissioned SWOV to conduct a literature review about transition of control in highly and
High pressure structural phase transitions of PbPo
Bencherif, Y.; Boukra, A. [Departement de Physique, Faculte des Sciences, Universite de Mostaganem (Algeria); Departement de Physique, Universite des Sciences et de la Technologie d' Oran, USTO, Oran (Algeria); Zaoui, A., E-mail: azaoui@polytech-lille.fr [Universite Lille Nord de France, LGCgE (EA 4515) Lille1, Polytech' Lille, Cite Scientifique, Avenue Paul Langevin, 59655 Villeneuve D' Ascq Cedex (France); Ferhat, M. [Departement de Physique, Universite des Sciences et de la Technologie d' Oran, USTO, Oran (Algeria)
2012-09-01
First-principles calculations have been performed to investigate the high pressure phase transitions and dynamical properties of the less known lead polonium compound. The calculated ground state parameters for the NaCl phase show good agreement with the experimental data. The obtained results show that the intermediate phase transition for this compound is the orthorhombic Pnma phase. The PbPo undergoes from the rocksalt to Pnma phase at 4.20 GPa. Further structural phase transition from intermediate to CsCl phase has been found at 8.5 GPa. In addition, phonon dispersion spectra were derived from linear-response to density functional theory. In particular, we show that the dynamical properties of PbPo exhibit some peculiar features compared to other III-V compounds. Finally, thermodynamics properties have been also addressed from quasiharmonic approximation.
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.
Optical theorem for multipole sources in wave diffraction theory
Eremin, Yu. A.; Sveshnikov, A. G.
2016-05-01
The optical theorem is generalized to the case of local body excitation by multipole sources. It is found that, to calculate the extinction cross section, it is sufficient to calculate the scattered field derivatives at a single point. It is shown that the Purcell factor, which is a rather important parameter, can be represented in analytic form. The result is generalized to the case of a local scatterer incorporated in a homogeneous halfspace.
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.
Prediction of conformationally dependent atomic multipole moments in carbohydrates.
Cardamone, Salvatore; Popelier, Paul L A
2015-12-15
The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings. © 2015 Wiley Periodicals, Inc.
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.
Development of a multi-pole magnetorheological brake
Shiao, Yaojung; Nguyen, Quang-Anh
2013-06-01
This paper presents a new approach in the design and optimization of a novel multi-pole magnetorheological (MR) brake that employs magnetic flux more effectively on the surface of the rotor. MR brakes with conventional single ring-type electromagnetic poles have reached the limits of torque enhancement. One major reason is the limitation of the magnetic field strength within the active area of the MR fluid due to the geometric constraints of the coil. The multi-pole MR brake design features multiple electromagnetic poles surrounded by several coils. As a result, the active chaining areas for the MR fluid are greatly increased, and significant brake torque improvement is achieved. The coil structure, as a part of the stator, becomes flexible and customizable in terms of space usage for the winding and bobbin design. In addition, this brake offers extra options in its dimensions for torque enhancement because either the radial or the axial dimensions of the rotor can be increased. Magnetic circuit analysis was conducted to analyze the effects of the design parameters on the field torque. After that, simulations were done to find the optimal design under all major geometric constraints with a given power supply. The results show that the multi-pole MR brake provides a considerable braking torque increase while maintaining a compact and solid design. This is confirmation of its feasibility in actual braking applications.
High pressure behavior of 3d transition metal carbonates
Farfan, G. A.; Wang, S.; Boulard, E.; Mao, W. L.
2012-12-01
Understanding the behavior of carbon-rich phases in Earth's lower mantle is critical for modeling the global carbon cycle since the lower mantle may be the major repository for carbon in our planet. We were interested in the behavior of carbonates containing 3d transition metals, which can exhibit unusual properties at extreme conditions. Thus, we studied siderite (FeCO3) and rhodochrosite (MnCO3) at high pressure using a diamond anvil cell coupled with Raman spectroscopy, X-ray diffraction (XRD) and X-ray emission spectroscopy. In siderite we observed a high to low spin transition and associated volume collapse at approximately 46 GPa which is consistent with previous reports. Our Raman data show that the C-O bonds soften when the Fe2+ volume collapses (Farfan et al, 2012). In contrast, our XES results indicate that the Mn2+ in rhodochrosite does not undergo a spin transition like siderite up to 50 GPa. We observed a new Raman peak emerging above 48 GPa, which is a similar pressure at which a new structure was found in a previous XRD study.
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.
High Throughput Interrogation of Behavioral Transitions in C. elegans
Liu, Mochi; Shaevitz, Joshua; Leifer, Andrew
We present a high-throughput method to probe transformations from neural activity to behavior in Caenorhabditis elegans to better understand how organisms change behavioral states. We optogenetically deliver white-noise stimuli to target sensory or inter neurons while simultaneously recording the movement of a population of worms. Using all the postural movement data collected, we computationally classify stereotyped behaviors in C. elegans by clustering based on the spectral properties of the instantaneous posture. (Berman et al., 2014) Transitions between these behavioral clusters indicate discrete behavioral changes. To study the neural correlates dictating these transitions, we perform model-driven experiments and employ Linear-Nonlinear-Poisson cascades that take the white-noise stimulus as the input. The parameters of these models are fitted by reverse-correlation from our measurements. The parameterized models of behavioral transitions predict the worm's response to novel stimuli and reveal the internal computations the animal makes before carrying out behavioral decisions. Preliminary results are shown that describe the neural-behavioral transformation between neural activity in mechanosensory neurons and reversal behavior.
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.
Orientation measurement based on magnetic inductance by the extended distributed multi-pole model.
Wu, Fang; Moon, Seung Ki; Son, Hungsun
2014-06-27
This paper presents a novel method to calculate magnetic inductance with a fast-computing magnetic field model referred to as the extended distributed multi-pole (eDMP) model. The concept of mutual inductance has been widely applied for position/orientation tracking systems and applications, yet it is still challenging due to the high demands in robust modeling and efficient computation in real-time applications. Recently, numerical methods have been utilized in design and analysis of magnetic fields, but this often requires heavy computation and its accuracy relies on geometric modeling and meshing that limit its usage. On the other hand, an analytical method provides simple and fast-computing solutions but is also flawed due to its difficulties in handling realistic and complex geometries such as complicated designs and boundary conditions, etc. In this paper, the extended distributed multi-pole model (eDMP) is developed to characterize a time-varying magnetic field based on an existing DMP model analyzing static magnetic fields. The method has been further exploited to compute the mutual inductance between coils at arbitrary locations and orientations. Simulation and experimental results of various configurations of the coils are presented. Comparison with the previously published data shows not only good performance in accuracy, but also effectiveness in computation.
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.
Multipole interference in the second-harmonic optical radiation from gold nanoparticles.
Kujala, Sami; Canfield, Brian K; Kauranen, Martti; Svirko, Yuri; Turunen, Jari
2007-04-20
We provide experimental evidence of higher multipole (magnetic dipole and electric quadrupole) radiation in second-harmonic (SH) generation from arrays of metal nanoparticles. Fundamental differences in the radiative properties of electric dipoles and higher multipoles yield opposite interference effects observed in the SH intensities measured in the reflected and transmitted directions. These interference effects clearly depend on the polarization of the fundamental field, directly indicating the importance of multipole effects in the nonlinear response. We estimate that higher multipoles contribute up to 20% of the total emitted SH field amplitude for certain polarization configurations.
Geodynamic simulations using the fast multipole boundary element method
Drombosky, Tyler W.
Interaction between viscous fluids models two important phenomena in geophysics: (i) the evolution of partially molten rocks, and (ii) the dynamics of Ultralow-Velocity Zones. Previous attempts to numerically model these behaviors have been plagued either by poor resolution at the fluid interfaces or high computational costs. We employ the Fast Multipole Boundary Element Method, which tracks the evolution of the fluid interfaces explicitly and is scalable to large problems, to model these systems. The microstructure of partially molten rocks strongly influences the macroscopic physical properties. The fractional area of intergranular contact, contiguity, is a key parameter that controls the elastic strength of the grain network in the partially molten aggregate. We study the influence of matrix deformation on the contiguity of an aggregate by carrying out pure shear and simple shear deformations of an aggregate. We observe that the differential shortening, the normalized difference between the major and minor axes of grains is inversely related to the ratio between the principal components of the contiguity tensor. From the numerical results, we calculate the seismic anisotropy resulting from melt redistribution during pure and simple shear deformation. During deformation, the melt is expelled from tubules along three grain corners to films along grain edges. The initially isotropic fractional area of intergranular contact, contiguity, becomes anisotropic due to deformation. Consequently, the component of contiguity evaluated on the plane parallel to the axis of maximum compressive stress decreases. We demonstrate that the observed global shear wave anisotropy and shear wave speed reduction of the Lithosphere-Asthenosphere Boundary are best explained by 0.1 vol% partial melt distributed in horizontal films created by deformation. We use our microsimulation in conjunction with a large scale mantle deep Earth simulation to gain insight into the formation of
High frequency microphone measurements for transition detection on airfoils
Døssing, Mads
Time series of pressure fluctuations has been obtained using high frequency microphones distributed over the surface of airfoils undergoing wind tunnel tests in the LM Windtunnel, owned by ’LM Glasfiber’, Denmark. The present report describes the dataanalysis, with special attention given...... pressure) and Tollmien-Schlichting frequencies. The tests were made at Reynolds and Mach numbers corresponding to the operating conditions of a typical horizontal axis wind turbine (HAWT). The Risø B1-18, Risø C2-18 and NACA0015 profiles were tested and the measured transition points are reported....
Isostructural Transition of MgB2 Under High Pressure
SUN Li-Ling; WU Qi; ZHAN Zai-Ji; WANG Wen-Kui; WANG Wen-Kui; T.Kikegawa
2001-01-01
The high-pressure behaviour of the superconductor MgB2 with a hexagonal structure has been investigated by the in situ synchrotron radiation x-ray diffraction method under pressures up to 42.2 GPa in a diamond anvil cell. An abrupt decrease of about 7％ in the unit cell volume of this material occurs in the pressure range of 26.3-30.2 GPa. A split of the Raman spectrum was also observed. The jump of the compression curve and Raman spectrum are ascribed to an isostructural transition in MgB2 at a pressure of 30.2 GPa.
STEM-EELS analysis of multipole surface plasmon modes in symmetry-broken AuAg nanowire dimers
Schubert, Ina; Sigle, Wilfried; van Aken, Peter A.; Trautmann, Christina; Toimil-Molares, Maria Eugenia
2015-03-01
Surface plasmon coupling in nanowires separated by small gaps generates high field enhancements at the position of the gap and is thus of great interest for sensing applications. It is known that the nanowire dimensions and in particular the symmetry of the structures has strong influence on the plasmonic properties of the dimer structure. Here, we report on multipole surface plasmon coupling in symmetry-broken AuAg nanowire dimers. Our dimers, consisting of two nanowires with different lengths and separated by gaps of only 10 to 30 nm, were synthesized by pulsed electrochemical deposition in ion track-etched polymer templates. Electron energy-loss spectroscopy in scanning transmission electron microscopy allows us to resolve up to nine multipole order surface plasmon modes of these dimers spectrally separated from each other. The spectra evidence plasmon coupling between resonances of different multipole order, resulting in the generation of additional plasmonic modes. Since such complex structures require elaborated synthesis techniques, dimer structures with complex composition, morphology and shape are created. We demonstrate that finite element simulations on pure Au dimers can predict the generated resonances in the fabricated structures. The excellent agreement of our experiment on AuAg dimers with finite integration simulations using CST microwave studio manifests great potential to design complex structures for sensing applications.
Structural phase transitions in high-temperature superconductors
Tatarenko, H.M. [Toulon Univ., 83 - Le Garde (France). Lab. des Materiaux Multiphases et Interfaces; Nihoul, G.E. [Toulon Univ., 83 - Le Garde (France). Lab. des Materiaux Multiphases et Interfaces
1995-11-01
This chapter is devoted to the study of the order-disorder like phase transitions which occur in the high-temperature superconductors (HTS). We mainly consider Lanthanium based compounds like La{sub 2}CuO{sub 4+{delta}} or La{sub 2-x}M{sub x}CuO{sub 4+{delta}} (where M is an alkali atom Ba, Sr, Ca, Na, K, ..) and Yttrium based superconductors like YBa{sub 2}Cu{sub 3}O{sub 6+{delta}}. Different kinds of ordered structures were found in these compounds by X-ray and neutron diffraction, as well as by High Resolution Electron Microscopy imaging and are described. The theoretical models, which describe the structural evolution as temperature and/or concentration of the different components vary, are considered in detail. The relation between structural instabilities and high-temperature superconductivity is discussed. (orig.)
Rheologic Transitions During Exhumation of High-Pressure Metamorphic Rocks
Whitney, D. L.; Teyssier, C. P.; Rey, P. F.
2015-12-01
The exhumation of deeply buried rocks typically involves dynamic feedbacks between deformation and metamorphic reactions (+ fluid and/or melt) that influence rheology and facilitate or drive large-magnitude exhumation. The evolution of grain-scale to terrane-scale processes during decompression can be seen in rocks exhumed from oceanic and continental subduction and from orogenic crust. In the Sivrihisar (Turkey) high-P/low-T (oceanic subduction) complex, microstructures record deformation and syn-kinematic reactions during decompression from eclogite to blueschist facies conditions; this transformation resulted in dramatic strength reduction that promoted strain localization along the subduction interface. In quartz-rich rocks, qz was deformed in the dislocation creep regime and records transitions in microstructure and slip systems during near-isothermal decompression from 2.5 to 1.5 GPa; these transitions may be related to decreasing water fugacity over tens of km of decompression. High-to ultrahigh-P eclogite in exhumed continental subduction zones such as the Western Gneiss Region (Norway) record decompression from >2.5 GPa to crust, upper crustal extension/transtension drives rapid ascent of the deep crust to form migmatite-cored domes. The exhuming deep crust entrains HP relics such as eclogite (e.g. Montagne Noire dome, France) as it traverses much of the orogenic crust, from >1.2 GPa to (in some cases) crust reaches the near-surface. In summary, decompression of subducted or deeply buried crust systematically leads to rheologic transitions and feedbacks between deformation and metamorphism in the presence of aqueous fluid and/or melt.
Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications
Sihvola, Ari [Helsinki University of Technology (Finland)
2005-03-11
everything seems to work well with the 'old' multipole theory. But then the focus is shifted to observables associated with the reflection of waves from a surface. And there the classical analysis fails. This gives the motivation for the following chapters where the transformed multipole theory is represented. As expected, the correct multipole balance restores the physicality of the results in the reflection problem. One of the healthy reminders for an electrical engineer-scientist reading the book is the fact that E and B are the primary electric and magnetic fields. The other two field quantities, D and H, are the response fields (which, by the way, are also shown to be origin-dependent and poorly defined in the framework of classical multipole theory). In defence, however, for these poor latter quantities one can mention the many advantages of the engineering-type constitutive relations where D and B are expressed as responses to E and H. An example is the beautiful symmetry and complete analogy between the electric and magnetic quantities (voltage becomes current and vice versa in the duality transformation) which helps us write down solutions to electromagnetic problems from other known cases. From a pragmatic point of view we would also favour the use of quantities like Poynting vector and energy density (which require the H field). Another discussion-provoking question to the authors of the book might be whether their new multipole balance could be broken in the analysis of artificial materials. New nanotechnological discoveries and devices make it look like engineers can do anything. Perhaps in the design of complex media and metamaterials, a hot topic in today?s materials science, such macroscopic responses can be tailored where a certain high-order multipole contribution dominates over other, more basic ones. Multiple Theory in Electromagnetism is suitable for a broad spectrum of readers: solid-state physicists, molecular chemists, theoretical and
Sihvola, Ari
2005-03-01
' multipole theory. But then the focus is shifted to observables associated with the reflection of waves from a surface. And there the classical analysis fails. This gives the motivation for the following chapters where the transformed multipole theory is represented. As expected, the correct multipole balance restores the physicality of the results in the reflection problem. One of the healthy reminders for an electrical engineer-scientist reading the book is the fact that E and B are the primary electric and magnetic fields. The other two field quantities, D and H, are the response fields (which, by the way, are also shown to be origin-dependent and poorly\\endcolumn defined in the framework of classical multipole theory). In defence, however, for these poor latter quantities one can mention the many advantages of the engineering-type constitutive relations where D and B are expressed as responses to E and H. An example is the beautiful symmetry and complete analogy between the electric and magnetic quantities (voltage becomes current and vice versa in the duality transformation) which helps us write down solutions to electromagnetic problems from other known cases. From a pragmatic point of view we would also favour the use of quantities like Poynting vector and energy density (which require the H field). Another discussion-provoking question to the authors of the book might be whether their new multipole balance could be broken in the analysis of artificial materials. New nanotechnological discoveries and devices make it look like engineers can do anything. Perhaps in the design of complex media and metamaterials, a hot topic in todayÂ's materials science, such macroscopic responses can be tailored where a certain high-order multipole contribution dominates over other, more basic ones. Multiple Theory in Electromagnetism is suitable for a broad spectrum of readers: solid-state physicists, molecular chemists, theoretical and experimental optics scientists, radiophysics
Automated Transition State Theory Calculations for High-Throughput Kinetics.
Bhoorasingh, Pierre L; Slakman, Belinda L; Seyedzadeh Khanshan, Fariba; Cain, Jason Y; West, Richard Henry
2017-08-18
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models. To reduce the reliance on these estimates and improve the accuracy of predictive kinetic models, we have developed a high-throughput, fully automated, reaction rate calculation method, AutoTST. The algorithm integrates automated saddle-point geometry search methods and a canonical transition state theory kinetics calculator. The automatically calculated reaction rates compare favorably to existing estimated rates. Comparison against high level theoretical calculations show the new automated method performs better than rate estimates when the estimate is made by a poor analogy. The method will improve by accounting for internal rotor contributions and by improving methods to determine molecular symmetry.
Investigation of Multipole Electrostatics in Hydration Free Energy Calculations
Shi, Yue; Wu, Chuanjie; Ponder, Jay W.; Ren, Pengyu
2010-01-01
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 (BAR) method. We have compared two approaches to derive the atomic multipoles from quantum mechanical (QM) calculations: one directly from the new distributed multipole analysis (DMA) 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-ccpVTZ). 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 hydration free energy calculation. PMID:20925089
Multipole expansions in the representation of current sources.
Trontelj, Z; Jazbinsek, V; Erné, S N; Trahms, L
1991-01-01
After obtaining the measured magnetic field or its components in the form of an isofield map one has to decide which approximation to use in solving the inverse problem. A single current dipole as an equivalent current source is often used. It will be shown when this approximation fails and one possible way to improve the equivalent source description. The expansion of current multipoles is discussed up to the second order. The localization of an equivalent current source in this case is considered. The application of this type of expansion is analysed and discussed.
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.
Deriving static atomic multipoles from the electrostatic potential.
Kramer, Christian; Bereau, Tristan; Spinn, Alexander; Liedl, Klaus R; Gedeck, Peter; Meuwly, Markus
2013-12-23
The description of molecular systems using multipolar electrostatics calls for automated methods to fit the necessary parameters. In this paper, we describe an open-source software package that allows fitting atomic multipoles (MTPs) from the ab initio electrostatic potential by adequate atom typing and judicious assignment of the local axis system. By enabling the simultaneous fit of several molecules and/or conformations, the package addresses issues of parameter transferability and lack of sampling for buried atoms. We illustrate the method by studying a series of small alcohol molecules, as well as various conformations of protonated butylamine.
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.
Magnetostatic solution by hybrid technique and fast multipole method
Gruosso, G. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, I-20133 Milan (Italy); Repetto, M. [Politecnico di Torino, Dipartimento di Ingegneria Elettrica, C.so Duca Abruzzi 24, I-10129 Turin (Italy)], E-mail: maurizio.repetto@polito.it
2008-02-01
The use of fast multipole method (FMM) in the solution of a magnetostatic problem is presented. The magnetostatic solution strategy is based on finite formulation of electromagnetic field coupled with an integral formulation for the definition of boundary conditions on the external surface of the unstructured mesh. Due to the hypothesis of micromagnetic problem, the resulting matrix structure is sparse and integral terms are only on the RHS. Magnetic surface charge is used as source of these integral terms and is localized on the faces between tetrahedra. The computation of the integral terms can be performed by analytical formulas for the near field contributes and by FMM for far field ones.
Multipole Expansions of Aggregate Charge: How Far to Go?
Matthews, Lorin S; Hyde, Truell W
2015-01-01
Aggregates immersed in a plasma or radiative environment will have charge distributed over their extended surface. Previous studies have modeled the aggregate charge using the monopole and dipole terms of a multipole expansion, with results indicating that the dipole-dipole interactions play an important role in increasing the aggregation rate and altering the morphology of the resultant aggregates. This study examines the effect that including the quadrupole terms has on the dynamics of aggregates interacting with each other and the confining electric fields in laboratory experiments. Results are compared to modeling aggregates as a collection of point charges located at the center of each spherical monomer comprising the aggregate.
Multipole approach for photo- and electroproduction of kaon
Mart, T
2007-01-01
We have analyzed the experimental data on K+Lambda photoproduction by using a multipole approach. In this analysis we use the background amplitudes constructed from appropriate Feynman diagrams in a gauge-invariant and crossing-symmetric fashion. Results of our analysis reveal the problem of mutual consistency between the new SAPHIR and CLAS data. We found that the problem could lead to different conclusions on ``missing resonances''. We have also extended our analysis to the finite Q^2 region and compared the result with the corresponding electroproduction data.
Wide Aperture Multipole Magnets of Separator COMBAS
Artukh, A G; Gridnev, G F; Gruszecki, M; Koscielniak, F; Semchenkova, O V; Sereda, Yu M; Shchepunov, V A; Szmider, J; Teterev, Yu G; Severgin, Yu P; Rozhdestvensky, B V; Myasnikov, Yu A; Shilkin, N F; Lamzin, E A; Nagaenko, M G; Sytchevsky, S E; Vishnevski, I N
2000-01-01
The high-resolving wide aperture separator COMBAS has been designed and commissioned at the FLNR, JINR. Its magneto-optical structure is based on strong focusing principle. The magnetic fields of analysing magnets M_1, M_2, M_7, M_8, contain quadrupole components of alternating sign that provide necessary beam focusing. Besides, all the magnets M_1-M_8, contain sextupole and octupole field components, which minimizes the 2nd and 3rd order aberrations. All this allowed one to increase their apertures, to effectively form a beam of the required sizes, and to decrease the channel length. This implementation of wide aperture magnets with combined functions is unique for the separation technology. Three-components magnetic measurements of all the magnets were performed. The measured data allow reconstructing the 3D-distributions of the fields in all the magnets. 3D-maps are supposed to be used for particle trajectory simulations throughout the entire separator.
The Feasibility of Multipole Electrostatic Radiation Shielding
Metzger, Philip T.; Lane, John E.; Youngquist, Robert C.
2004-01-01
Although passive shielding appears to be the only workable solution for galactic cosmic radiation (GCR), active shielding may play an important augmenting role to control the dose from solar particle events (SPEs). It has been noted that, to meet the guidelines of NCRP Report No. 98 through the six SPEs of 1989, a crew member would need roughly double the passive shielding that is necessary to control the GCR dose . This would dramatically increase spacecraft mass, and so it has been proposed that a small but more heavily shielded storm shelter may be used to protect the crew during SPEs. Since a gradual SPE may last 5 or more days, staying in a storm shelter may be psychologically and physiologically distressing to the crew. Storm shelters do not provide shielding for the spacecraft itself against the SPE radiation, and radiation damage to critical electronics may result in loss of mission and life. Single-event effects during the radiation storm may require quick crew response to maintain the integrity of the spacecraft, and confining the crew to a storm shelter prohibits their attending to the spacecraft at the precise time when that attention is needed the most. Active shielding cannot protect against GCR because the particle energies are too high. Although lower energy particles are easier to stop in a passive shield, such shielding is more satisfactory against GCR than against SPE radiation because of the tremendous difference in their initial fluences. Even a small fraction of the SPE fluence penetrating the passive shielding may result in an unacceptably high dose. Active shielding is more effective than passive shielding against SPE radiation because it offers 100% shielding effectiveness up to the cutoff energy, and significant shielding effectiveness beyond the cutoff as well.
High Energy Transitions in the Decay of 132I
Johnson, N.; Wilsky, K.; Gregers Hansen, P.
1965-01-01
A study of the high-energy gamma rays of 132I with a three-crystal pair spectrometer has disclosed the presence of several new transitions. In addition, it has permitted more precise energy assignments for the previously observed gamma rays. Gamma rays having energies greater than the pair......-ray spectrometer covering the energy range of 100–2200 keV. Electron lines were observed corresponding to transitions at 147.4±0.9, 263.0±0.9, 285.5±1.1, 523.0±1.2, 631.5±1.4, 669.0±1.2 (complex), 728.8±1.7, 773.8±1.6, 954.9±1.9 and 1395±8 keV. A careful study of the end-point region of the beta spectrum has shown...... thet the maximum energy beta ray of 132I is at 2118±15 keV....
Higher Electric Multipole Moments for Some Polyatomic Molecules from Accurate SCF Calculations
Telhat Ozdogan
2002-01-01
Higher electric multipole moments for the ground-state electronic configuration of some polyatomicmolecules, i.e. CH4, NH3, H2O, were calculated from SCF-HFR wavefunctions using Slater-type orbital basis sets.The calculated results for electric multipole moments of these molecules are in good agreement with the theoretical andexperimental ones.
The gravitational time delay in the field of a slowly moving body with arbitrary multipoles
Soffel, Michael H., E-mail: michael.soffel@tu-dresden.de [Shanghai Astronomical Observatory, 80 Nandan Road, Shanghai, 200030 (China); Lohmann Observatory, Helmholtzstrasse 10, D-01062 Dresden (Germany); Han, Wen-Biao, E-mail: wbhan@shao.ac.cn [Shanghai Astronomical Observatory, 80 Nandan Road, Shanghai, 200030 (China)
2015-02-06
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.
Scalable force directed graph layout algorithms using fast multipole methods
Yunis, Enas Abdulrahman
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.
A Multipole Expansion Method for Analyzing Lightning Field Changes
Koshak, William J.; Krider, E. Philip; Murphy, Martin J.
1999-01-01
Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q model) or a point dipole (the P model). The Q model has four unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P model has six unknown parameters and describes many intracloud (IC) discharges. In this paper we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a dme-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer-simulated sources and on natural lightning at the NASA Kennedy Space Center and U.S. Air Force Eastern Range.
High pressure phase transitions for CdSe
Bo Kong; Ti-Xian Zeng; Zhu-Wen Zhou; De-Liang Chen; Xiao-Wei Sun
2014-05-01
The structure and pressure-induced phase transitions for CdSe are investigated using first-principles calculations. The pressure-induced phase transition sequence WZ/ZB $\\to$ Rs $\\to$ $\\to$ CsCl for CdSe is drawn reasonably for the fist time, the corresponding transition pressures are 3.8, 29 and 107 GPa, respectively and the intermediate states between the structure and the CsCl structure should exist.
Analysis and Design of Backing Beam for Multipole Wiggler (MPW14) at PLS
Lee, Hong-Gi; Jung, Young-Gyu; Park, Ki-Hyeon; Sik Han, Hong; Suck Suh, Hyung; Wha Chung, Chin; Woo Lee, Wol
2005-01-01
Pohang Accelerator Laboratory (PAL) had developed and installed a Multipole Wiggler (MPW14) to utilize high energy synchrotron radiation at Pohang Light Source (PLS). The MPW14 is a hybrid type device with period of 14 cm, minimum gap of 14 mm, maximum flux density of 2.02 Tesla and total magnetic structure length of 2056 mm. The support locations and structure of an insertion device are optimized to achieve a minimum deflection due to the magnetic loads. A Finite Element Analysis (FEA) is performed to find out the amount of maximum deflection and optimal support positions on the backing beam, the support and drive structures of the MPW14 under expected magnetic load of 14 tons. To reduce the deflection effect further, two springs are designed and installed to compensate the gap dependent magnetic loads. The optimized deflection is estimated to be about 20.6 ? while the deflection before optimization is 238 ?.
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.
A circuit QED controlled-Z ``AMP'' gate (Adiabatic MultiPole gate)
McKay, David C.; Naik, Ravi; Bishop, Lev S.; Schuster, David I.
2014-03-01
Circuit quantum electrodynamics -- superconducting Josephson junction ``transmon'' qubits coupled via microwave cavities -- is a promising route towards scalable quantum computing. Here we report on experiments coupling two transmon qubits through multiple strongly coupled planar superconducting cavities -- the multipole cavity QED architecture. This design enables large interactions (mediated by real cavity photons) when the transmons are resonant with the cavities, and low off rates when the qubits are tuned away from the cavity resonance. In this talk we will discuss our gate protocol -- the AMP gate -- and report on producing a high fidelity Bell state (| gg > + | ee >) measured from state and process tomography. We will discuss future plans for scaling this architecture beyond two qubits.
High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2
Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.
2017-06-01
A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.
Electronic transitions in highly charged ion-atom collisions
Schmidt-Böcking, H.; Ullrich, J.; Schuch, R.; Olson, R. E.; Dörner, R.
1989-09-01
Three different aspects of electronic transitions in fast, highly charged ion-atom collisions are discussed. First, experimental data and n-CTMC calculations for differential multiple ionization cross sections of 1.4 {MeV}/{u} U 32+on rare gas atoms are presented. It is shown that the electronic motion has a dramatic influence on the kinematics of the emitted particles (in particular the nuclei). The possibility is discussed to measure in fast ionizing processes by a recoil ion-projectile coincidence technique the internal sum momentum of "electron clusters" in atoms. This new "technique" opens a new field of atomic structure research at high-energy heavy-ion accelerators. Second, the use of the H-like heavy ions as projectiles is discussed to measure, through observable interference structures, static and dynamic properties of transiently formed superheavy quasimolecular systems. Third, the "ancient" gas target-solid target difference in the impact-parameter dependence of K-shell ionization in nearly symmetric ion-atom collisions is presented. This severe discrepancy between gas and solid still remains an unsolved fundamental problem in the field of inner-shell ionization in the MO regime.
Characterizing the transition from high recycling to partial detachment
McLean, A. G.; Allen, S. L.; Fenstermacher, M.; Lasnier, C.; Meyer, W. H.; Porter, G.; Soukhanovskii, V.; Bray, B. D.; Carlstrom, T. N.; Leonard, A. W.; Liu, C.; Eldon, D.; Groth, M.; Stangeby, P. C.; Tsui, C.
2014-10-01
Experiments at DIII-D have explored the transition from the high recycling to the partially detached divertor condition in L- and H-mode with an unprecedented level of detail. Improved divertor and core Thomson scattering diagnostics were coupled with high resolution spectroscopic studies of molecular and neutral emissions. 2-D Te and ne profiles of the outer leg reveal the earliest indications of formation of the detachment front at the target plate, reducing local Te at the outer strike point from 8-10 eV to 2-3 eV with a marginal ( upstream. These data help guide and expose any missing physics in simulations of detachment onset using state-of-the-art boundary codes, and in predictions for operation with a partial detached divertor in future devices. This work supported in part by the US Department of Energy under DE-AC52-07NA27344 and DE-FC02-04ER54698.
Oberberg, Moritz; Bibinov, Nikita; Ries, Stefan; Awakowicz, Peter; Institute of Electrical Engineering; Plasma Technology Team
2016-09-01
In recently publication, the young diagnostic tool Multipole Resonance Probe (MRP) for electron density measurements was introduced. It is based on active plasma resonance spectroscopy (APRS). The probe was simulated und evaluated for different devices. The geometrical and electrical symmetry simplifies the APRS model, so that the electron density can be easily calculated from the measured resonance. In this work, low pressure nitrogen mixture plasmas with different electron energy distribution functions (EEDF) are investigated. The results of the MRP measurement are compared with measurements of a Langmuir Probe (LP) and Optical Emission Spectroscopy (OES). Probes and OES measure in different regimes of kinetic electron energy. Both probes measure electrons with low kinetic energy (<10 eV), whereas the OES is influenced by electrons with high kinetic energy which are needed for transitions of molecule bands. By the determination of the absolute intensity of N2(C-B) and N2+(B-X)electron temperature and density can be calculated. In a non-maxwellian plasma, all plasma diagnostics need to be combined.
Harpsøe, Kennet Bomann West; Hardis, S.; Hinse, T. C.
2012-01-01
: The observations are used to determine the photometric parameters and the physical properties of the GJ1214 system. Our results are in good agreement with published values. Individual times of mid-transit are measured with uncertainties as low as 10s, allowing us to reduce the uncertainty in the orbital period...
Phase Transition and Structure of Silver Azide at High Pressure
D Hou; F Zhang; C Ji; T Hannon; H Zhu; J Wu; V Levitas; Y Ma
2011-12-31
Silver azide (AgN{sub 3}) was compressed up to 51.3 GPa. The results reveal a reversible second-order orthorhombic-to-tetragonal phase transformation starting from ambient pressure and completing at 2.7 GPa. The phase transition is accompanied by a proximity of cell parameters a and b, a 3{sup o} rotation of azide anions, and a change of coordination number from 4-4 (four short, four long) to eight fold. The crystal structure of the high pressure phase is determined to be in I4/mcm space group, with Ag at 4a, N{sub 1} at 4d, and N{sub 2} at 8h Wyckoff positions. Both of the two phases have anisotropic compressibility: the orthorhombic phase exhibits an anomalous expansion under compression along a-axis and is more compressive along b-axis than c-axis; the tetragonal phase is more compressive along the interlayer direction than the intralayer directions. The bulk moduli of the orthorhombic and tetragonal phases are determined to be K{sub OT} = 39{+-}5 GPa with K{sub OT'} = 10{+-}7 and K{sub OT} = 57 {+-}2 GPa with K{sub OT'} = 6.6{+-}0.2, respectively.
Multipole-preserving quadratures for discretization of functions
Genovese, Luigi
2015-01-01
Discretizing an analytic function on a uniform real-space grid is often done via a straightforward collocation method. This is ubiquitous in all areas of computational physics and quantum chemistry. An example in Density Functional Theory is given by the local external potential describing the interaction between ions and electrons. Also notable examples are given by the analytic functions defining compensation charges for range-separated electrostatic treatments. The accuracy of the collocation method used is therefore very important for the reliability of subsequent treatments like self-consistent field solutions of the electronic structure problems. When the real-space grid is too coarse, the collocation method introduces numerical artifacts typical of real-space treatments, like the so-called egg-box error, that may spoil the numerical stability of the description. We present in this paper a new quadrature scheme that is able to exactly preserve the multipoles of a given analytic function for a wide range...
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...
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...
Planar Multipol-Resonance-Probe: A Spectral Kinetic Approach
Friedrichs, Michael; Gong, Junbo; Brinkmann, Ralf Peter; Oberrath, Jens; Wilczek, Sebastian
2016-09-01
Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP (pMRP). Introducing the spectral kinetic formalism leads to a reduced simulation-circle compared to particle-in-cell simulations. The model of the pMRP is implemented and first simulation results are presented.
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.
High pressure and microwave based synthesis of transition metal pnictides
Pobel, Roman Rupert
2016-04-11
The goal of this thesis was to explore the possibilities of synthetic methods that are not very common in current transition metal pnictide research. The substitution of the Ca-site in CaFe{sub 2}As{sub 2} with rare earth elements such as Pr the has been reported to induce superconductivity. However, some inconsistencies in the data suggested a non-intrinsic origin of the observed diamagnetic signal. Furthermore a solubility limit of 13% was found when prepared in an electrical furnace thus leaving a huge part of the physical phase diagram inaccessible. A high pressure/high temperature synthesis was developed to allow access to the whole doping range and an in-depth characterization of this compound was carried out. During the experiments concerning the high pressure synthesis of Ca{sub 1-x}Pr{sub x}Fe{sub 2}As{sub 2} the new ternary iron arsenide CaFe{sub 5}As{sub 3} was identified and classified as a member of the Ca{sub n(n+1)/2}(Fe{sub 1-x}M{sub x}){sub (2+3n)}M'{sub n(n-1)/2}As{sub (n+1)(n+2)/2} (n = 1-3; M =Nb, Pd, Pt; M' = □, Pd, Pt) family. The complete solid solution Ca{sub 1-x}Pr{sub x}Fe{sub 5}As{sub 3} (O ≤ x ≤ 1) was prepared and physically characterized. Furthermore, several useful techniques were developed to aid in future high pressure based investigations of transition metal pnictides. The second part of this thesis concerns a completely different, but equally promising synthetic approach. Microwave based synthesis is a well-established technique in many solution based fields, such as organic, medicinal or nano chemistry. For solid state and materials research several parameters and particularities have to be considered. But when successful, it allows for the reduction of reaction time by several orders of magnitude. It has very rarely been applied in the preparation of pnictides and on1y once in the context of pnictide superconductor research. The possibilities of this method were explored and employed in the preparation of several
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.
The gravitational time delay in the field of a slowly moving body with arbitrary multipoles
Soffel, Michael H
2014-01-01
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.
Chung, Ting-Yi; Huang, Szu-Jung; Fu, Huang-Wen; Chang, Ho-Ping; Chang, Cheng-Hsiang [National Synchrotron Radiation Research Center, Hsinchu Science Park, Hsinchu 30076, Taiwan (China); Hwang, Ching-Shiang [National Synchrotron Radiation Research Center, Hsinchu Science Park, Hsinchu 30076, Taiwan (China); Department of Electrophysics, National Chiao Tung University, Hsinchu 30050, Taiwan (China)
2016-08-01
The effect of an APPLE II-type elliptically polarized undulator (EPU) on the beam dynamics were investigated using active and passive methods. To reduce the tune shift and improve the injection efficiency, dynamic multipole errors were compensated using L-shaped iron shims, which resulted in stable top-up operation for a minimum gap. The skew quadrupole error was compensated using a multipole corrector, which was located downstream of the EPU for minimizing betatron coupling, and it ensured the enhancement of the synchrotron radiation brightness. The investigation methods, a numerical simulation algorithm, a multipole error correction method, and the beam-based measurement results are discussed.
High transition-temperature SQUID magnetometers and practical applications
Dantsker, Eugene [Univ. of California, Berkeley, CA (United States). Dept. of Physics
1997-05-01
The design, fabrication and performance of SQUID magnetometers based on thin films of the high-transition temperature superconductor YBa_{2}Cu_{3}O_{7-x} (YBCO) are described. Essential to the achieving high magnetic field resolution at low frequencies is the elimination of 1/f flux noise due to thermally activated hopping of flux vortices between pinning sites in the superconducting films. Through improvements in processing, 1/f noise in single layer YBCO thin films and YBCO-SrTiO_{3}-YBCO trilayers was systematically reduced to allow fabrication of sensitive SQUID magnetometers. Both single-layer directly coupled SQUID magnetometers and multilayer magnetometers were fabricated, based on the dc SQUID with bicrystal grain boundary Josephson junctions. Multilayer magnetometers had a lower magnetic field noise for a given physical size due to greater effective sensing areas. A magnetometer consisting of a SQUID inductively coupled to the multiturn input coil of a flux transformer in a flip-chip arrangement had a field noise of 27 fT Hz^{-1/2} at 1 Hz and 8.5 fT Hz^{-1/2} at 1 kHz. A multiloop multilayer SQUID magnetometer had a field noise of 37 fT Hz^{-1/2} at 1 Hz and 18 fT Hz^{-1/2} at 1 kHz. A three-axis SQUID magnetometer for geophysical applications was constructed and operated in the field in the presence of 60 Hz and radiofrequency noise. Clinical quality magnetocardiograms were measured using multilayer SQUID magnetometers in a magnetically shielded room.
High transition-temperature SQUID magnetometers and practical applications
Dantsker, E [Univ. of California, Berkeley, CA (United States). Dept. of Physics
1997-05-01
The design, fabrication and performance of SQUID magnetometers based on thin films of the high-transition temperature superconductor YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} (YBCO) are described. Essential to the achieving high magnetic field resolution at low frequencies is the elimination of 1/f flux noise due to thermally activated hopping of flux vortices between pinning sites in the superconducting films. Through improvements in processing, 1/f noise in single layer YBCO thin films and YBCO-SrTiO{sub 3}-YBCO trilayers was systematically reduced to allow fabrication of sensitive SQUID magnetometers. Both single-layer directly coupled SQUID magnetometers and multilayer magnetometers were fabricated, based on the dc SQUID with bicrystal grain boundary Josephson junctions. Multilayer magnetometers had a lower magnetic field noise for a given physical size due to greater effective sensing areas. A magnetometer consisting of a SQUID inductively coupled to the multiturn input coil of a flux transformer in a flip-chip arrangement had a field noise of 27 fT Hz{sup {minus}1/2} at 1 Hz and 8.5 fT Hz{sup {minus}1/2} at 1 kHz. A multiloop multilayer SQUID magnetometer had a field noise of 37 fT Hz{sup {minus}1/2} at 1 Hz and 18 fT Hz{sup {minus}1/2} at 1 kHz. A three-axis SQUID magnetometer for geophysical applications was constructed and operated in the field in the presence of 60 Hz and radiofrequency noise. Clinical quality magnetocardiograms were measured using multilayer SQUID magnetometers in a magnetically shielded room.
High-Fidelity Aerodynamic Design with Transition Prediction Project
National Aeronautics and Space Administration — To enhance aerodynamic design capabilities, Desktop Aeronautics proposes to combine a new sweep/taper integrated-boundary-layer (IBL) code that includes transition...
Collective multipole excitations based on correlated realistic nucleon-nucleon interactions
Paar, N. [Zagreb Univ. (Croatia). Fac. of Science, Physics Dept.; Papakonstantinou, P.; Hergert, H.; Roth, R. [Technische Univ. Darmstadt (Germany). Inst. fuer Kernphysik
2006-05-24
We investigate collective multipole excitations for closed shell nuclei from {sup 16}O to {sup 208}Pb 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{sup -} and 2{sup +} channels the resonance energies are overestimated due to missing long-range correlations and three-body contributions. (orig.)
Multipole expansion of Green's function for guided waves in a transversely isotropic plate
Lee, Heung Son; Kim, Yoon Young [Seoul National University, Seoul (Korea, Republic of)
2015-05-15
The multipole expansion of Green's function in a transversely isotropic plate is derived based on the eigenfunction expansion method. For the derivation, Green's function is expressed in a bilinear form composed of the regular and singular Lamb-type (or shear-horizontal) wave eigenfunctions. The specific form of the derived Green's function facilitates the handling of general scattering problems in an elastic plate when numerical methods such as the methods of the null-field integral equations are employed. In the derivation, the integral transform of an arbitrary guided wave field is first constructed by the Lamb-type and shear horizontal wave eigenfunctions that work as the kernel functions. After showing that the thickness-dependent parts of the eigenfunctions are orthogonal to each other in the transformed space, Green's function is explicitly derived by using the orthogonality. As an application of the derived Green's function, a scattering problem is solved by the transition matrix method.
In Situ Observation of Gypsum-Anhydrite Transition at High Pressure and High Temperature
LIU Chuan-Jiang; ZHENG Hai-Fei
2012-01-01
An in-situ Raman spectroscopic study of gypsum-anhydrite transition under a saturated water condition at high pressure and high temperature is performed using a hydrothermal diamond anvil cell (HDAC).The experimental results show that gypsum dissolvs in water at ambient temperature and above 496 MPa.With increasing temperature,the anhydrite (CaSO4) phase precipitates at 250 320℃ in the pressure range of 1.0 1.5 GPa,indicating that under a saturated water condition,both stable conditions of pressure and temperature and high levels of Ca and SO4 ion concentrations in aqueous solution are essential for the formation of anhydrite.A linear relationship between the pressure and temperature for the precipitation of anhydrite is established as P(GPa) =0.0068T - 0.7126 (250℃≤T≤320℃).Anhydrite remained stable during rapid cooling of the sample chamber,showing that the gypsum-anhydrite transition involving both dissolution and precipitation processes is irreversible at high pressure and high temperature.%An in-situ Raman spectroscopic study of gypsum-anhydrite transition under a saturated water condition at high pressure and high temperature is performed using a hydrothermal diamond anvil cell (HDAC). The experimental results show that gypsum dissolvs in water at ambient temperature and above 496 Mpa. With increasing temperature, the anhydrite (CaSO4) phase precipitates at 250-320℃ in the pressure range of 1.0-1.5 Gpa, indicating that under a saturated water condition, both stable conditions of pressure and temperature and high levels of Ca and SO4 ion concentrations in aqueous solution are essential for the formation of anhydrite. A linear relationship between the pressure and temperature for the precipitation of anhydrite is established as P(Gpa) = 0.0068T - 0.7126 (250℃≤T≤320℃). Anhydrite remained stable during rapid cooling of the sample chamber, showing that the gypsum-anhydrite transition involving both dissolution and precipitation processes is
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...
Adaptation and performance of the fast multipole method for dipolar systems
Gorn, N.L. E-mail: db@innovent-jena.de; Berkov, D.V
2004-05-01
We have developed a new specialized version of the fast multipole method (FMM) for dipolar systems. For this purpose we have derived general expressions of the multipole expansion coefficients (in spherical coordinates) for a system of point dipoles with the potential phi (cursive,open) Greek{sub dip}{approx}1/r{sup 2}. Our version is especially useful for simulations of fine magnetic particle systems (magnetic nanocomposites, ferrofluids), molecular dipolar fluids or electric dipolar glasses.
Draganić, I; Crespo López-Urrutia, J R; DuBois, R; Fritzsche, S; Shabaev, V M; Orts, R Soria; Tupitsyn, I I; Zou, Y; Ullrich, J
2003-10-31
We present the results of an experimental study of magnetic dipole (M1) transitions in highly charged argon ions (Ar X, Ar XI, Ar XIV, Ar XV) in the visible spectral range using an electron beam ion trap. Their wavelengths were determined with, for highly charged ions, unprecedented accuracy up to the sub-ppm level and compared with theoretical calculations. The QED contributions, calculated in this Letter, are found to be 4 orders of magnitude larger than the experimental error and are absolutely indispensable to bring theory and experiment to a good agreement. This method shows great potential for the study of QED effects in relativistic few-electron systems.
Medvedev, Emile S., E-mail: esmedved@orc.ru [The Institute of Problems of Chemical Physics, Russian Academy of Sciences, Prospect Akademika Semenova 1, 142432 Chernogolovka (Russian Federation); Meshkov, Vladimir V.; Stolyarov, Andrey V. [Department of Chemistry, Lomonosov Moscow State University, Leninskie gory 1/3, 119991 Moscow (Russian Federation); Gordon, Iouli E. [Atomic and Molecular Physics Division, Harvard-Smithsonian Center for Astrophysics, 60 Garden St, Cambridge, Massachusetts 02138 (United States)
2015-10-21
In the recent work devoted to the calculation of the rovibrational line list of the CO molecule [G. Li et al., Astrophys. J., Suppl. Ser. 216, 15 (2015)], rigorous validation of the calculated parameters including intensities was carried out. In particular, the Normal Intensity Distribution Law (NIDL) [E. S. Medvedev, J. Chem. Phys. 137, 174307 (2012)] was employed for the validation purposes, and it was found that, in the original CO line list calculated for large changes of the vibrational quantum number up to Δn = 41, intensities with Δn > 11 were unphysical. Therefore, very high overtone transitions were removed from the published list in Li et al. Here, we show how this type of validation is carried out and prove that the quadruple precision is indispensably required to predict the reliable intensities using the conventional 32-bit computers. Based on these calculations, the NIDL is shown to hold up for the 0 → n transitions till the dissociation limit around n = 83, covering 45 orders of magnitude in the intensity. The low-intensity 0 → n transition predicted in the work of Medvedev [Determination of a new molecular constant for diatomic systems. Normal intensity distribution law for overtone spectra of diatomic and polyatomic molecules and anomalies in overtone absorption spectra of diatomic molecules, Institute of Chemical Physics, Russian Academy of Sciences, Chernogolovka, 1984] at n = 5 is confirmed, and two additional “abnormal” intensities are found at n = 14 and 23. Criteria for the appearance of such “anomalies” are formulated. The results could be useful to revise the high-overtone molecular transition probabilities provided in spectroscopic databases.
Hickstein, Daniel D.; Cole, Jacqueline M.; Turner, Michael J.; Jayatilaka, Dylan
2013-08-01
The rational design of next-generation optical materials requires an understanding of the connection between molecular structure and the solid-state optical properties of a material. A fundamental challenge is to utilize the accurate structural information provided by X-ray diffraction to explain the properties of a crystal. For years, the multipole refinement has been the workhorse technique for transforming high-resolution X-ray diffraction datasets into the detailed electron density distribution of crystalline material. However, the electron density alone is not sufficient for a reliable calculation of the nonlinear optical properties of a material. Recently, the X-ray constrained wavefunction refinement has emerged as a viable alternative to the multipole refinement, offering several potential advantages, including the calculation of a wide range of physical properties and seeding the refinement process with a physically reasonable starting point. In this study, we apply both the multipole refinement and the X-ray constrained wavefunction technique to four molecules with promising nonlinear optical properties and diverse structural motifs. In general, both techniques obtain comparable figures of merit and generate largely similar electron densities, demonstrating the wide applicability of the X-ray constrained wavefunction method. However, there are some systematic differences between the electron densities generated by each technique. Importantly, we find that the electron density generated using the X-ray constrained wavefunction method is dependent on the exact location of the nuclei. The X-ray constrained wavefunction refinement makes smaller changes to the wavefunction when coordinates from the Hartree-Fock-based Hirshfeld atom refinement are employed rather than coordinates from the multipole refinement, suggesting that coordinates from the Hirshfeld atom refinement allow the X-ray constrained wavefunction method to produce more accurate wavefunctions. We
Continuums of Precarity: Refugee Youth Transitions in American High Schools
McWilliams, Julia Ann; Bonet, Sally Wesley
2016-01-01
This article examines how the pre-migratory experiences of 90 Bhutanese, Burmese, and Iraqi refugee youth shape their aspirations, needs and capabilities as they transition to postsecondary education and work in the American urban context. It further explores how their schooling experiences in precarious urban school districts influence their…
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.)
Fast Multipole-Based Elliptic PDE Solver and Preconditioner
Ibeid, Huda
2016-12-07
Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the currently dominant parallel programing model. Currently, there are many efforts to evaluate the hardware and software bottlenecks of exascale designs. It is therefore of interest to model application performance and to understand what changes need to be made to ensure extrapolated scalability. Fast multipole methods (FMM) were originally developed for accelerating N-body problems for particle-based methods in astrophysics and molecular dynamics. FMM is more than an N-body solver, however. Recent efforts to view the FMM as an elliptic PDE solver have opened the possibility to use it as a preconditioner for even a broader range of applications. In this thesis, we (i) discuss the challenges for FMM on current parallel computers and future exascale architectures, with a focus on inter-node communication, and develop a performance model that considers the communication patterns of the FMM for spatially quasi-uniform distributions, (ii) employ this performance model to guide performance and scaling improvement of FMM for all-atom molecular dynamics simulations of uniformly distributed particles, and (iii) demonstrate that, beyond its traditional use as a solver in problems for which explicit free-space kernel representations are available, the FMM has applicability as a preconditioner in finite domain elliptic boundary value problems, by equipping it with boundary integral capability for satisfying conditions at finite boundaries and by wrapping it in a Krylov method for extensibility to more general operators. Compared with multilevel methods, FMM is capable of comparable algebraic convergence rates down to the truncation error of the discretized PDE, and it has superior multicore and distributed memory scalability properties on commodity
Qualter, P.; Whiteley, H. E.; Hutchinson, J. M.; Pope, D. J.
2007-01-01
This study aims to explore (1) whether pupils with high emotional intelligence (EI) cope better with the transition to high school; and (2) whether the introduction of an intervention programme to support the development of EI competencies can increase EI and self-worth, and so ease the negative effects of transition. Results suggest that pupils…
Moving from Middle to High School: Making Sense of the Freshman Transition
Dudley, Rachel E.
2012-01-01
Educators have noticed students moving from eighth grade middle school programs to ninth grade high school environments encounter difficulties during the first year of the transition. Students who do not successfully transition to high school run the risk of repeating ninth grade, falling behind their peers and possibly dropping out of high…
Surface segregation energies in transition-metal alloys
Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet
1999-01-01
We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...
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...
Windows open for highly tunable magnetostructural phase transitions
Li, Y.
2016-07-18
An attempt was made to tailor the magnetostructural transitions over a wide temperature range under the principle of isostructural alloying. A series of wide Curie-temperature windows (CTWs) with a maximal width of 377 K between 69 and 446 K were established in the Mn1− yCoyNiGe1− xSix system. Throughout the CTWs, the magnetic-field-induced metamagnetic behavior and giant magnetocaloric effects are obtained. The (Mn,Co)Ni(Ge,Si) system shows great potential as multifunctional phase-transition materials that work in a wide range covering liquid-nitrogen and above water-boiling temperatures. Moreover, general understanding of isostructural alloying and CTWs constructed in (Mn,Co)Ni(Ge,Si) as well as (Mn,Fe)Ni(Ge,Si) is provided.
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.
On the origin dependence of multipole moments in electromagnetism
Visschere, Patrick De [Ghent University, Department ELIS Sint-Pietersnieuwstraat 41, B-9000 Gent (Belgium)
2006-10-07
The standard description of material media in electromagnetism is based on multipoles. It is well known that these moments depend on the point of reference chosen, except for the lowest order. It is shown that this 'origin dependence' is not unphysical as has been claimed in the literature but forms only part of the effect of moving the point of reference. When the complementary part is also taken into account then different points of reference lead to different but equivalent descriptions of the same physical reality. This is shown at the microscopic as well as at the macroscopic level. A similar interpretation is valid regarding the 'origin dependence' of the reflection coefficients for reflection on a semi-infinite medium. We show that the 'transformation theory' which has been proposed to remedy this situation (and which is thus not needed) is unphysical since the transformation considered does not leave the boundary conditions invariant.
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.
Fast multipole method applied to Lagrangian simulations of vortical flows
Ricciardi, Túlio R.; Wolf, William R.; Bimbato, Alex M.
2017-10-01
Lagrangian simulations of unsteady vortical flows are accelerated by the multi-level fast multipole method, FMM. The combination of the FMM algorithm with a discrete vortex method, DVM, is discussed for free domain and periodic problems with focus on implementation details to reduce numerical dissipation and avoid spurious solutions in unsteady inviscid flows. An assessment of the FMM-DVM accuracy is presented through a comparison with the direct calculation of the Biot-Savart law for the simulation of the temporal evolution of an aircraft wake in the Trefftz plane. The role of several parameters such as time step restriction, truncation of the FMM series expansion, number of particles in the wake discretization and machine precision is investigated and we show how to avoid spurious instabilities. The FMM-DVM is also applied to compute the evolution of a temporal shear layer with periodic boundary conditions. A novel approach is proposed to achieve accurate solutions in the periodic FMM. This approach avoids a spurious precession of the periodic shear layer and solutions are shown to converge to the direct Biot-Savart calculation using a cotangent function.
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.
Scoring multipole electrostatics in condensed-phase atomistic simulations.
Bereau, Tristan; Kramer, Christian; Monnard, Fabien W; Nogueira, Elisa S; Ward, Thomas R; Meuwly, Markus
2013-05-09
Permanent multipoles (MTPs) embody a natural extension to common point-charge (PC) representations in atomistic simulations. In this work, we propose an alternative to the computationally expensive MTP molecular dynamics simulations by running a simple PC simulation and later reevaluate-"score''-all energies using the more detailed MTP force field. The method, which relies on the assumption that the PC and MTP force fields generate closely related phase spaces, is accomplished by enforcing identical sets of monopoles between the two force fields-effectively highlighting the higher MTP terms as a correction to the PC approximation. We first detail our consistent parametrization of the electrostatics and van der Waals interactions for the two force fields. We then validate the method by comparing the accuracy of protein-ligand binding free energies from both PC and MTP-scored representations with experimentally determined binding constants obtained by us. Specifically, we study the binding of several arylsulfonamide ligands to human carbonic anhydrase II. We find that both representations yield an accuracy of 1 kcal/mol with respect to experiment. Finally, we apply the method to rank the energetic contributions of individual atomic MTP coefficients for molecules solvated in water. All in all, MTP scoring is a computationally appealing method that can provide insight into the multipolar electrostatic interactions of condensed-phase systems.
Instability of reconstruction of the low CMB multipoles
Naselsky, Pavel D.; Verkhodanov, Oleg V.; Nielsen, Mikkel T. B.
2007-01-01
We discuss the problem of the bias of the Internal Linear Combination (ILC) CMB map and show that it is closely related to the coefficient of cross-correlation K(l) of the true CMB and the foreground for each multipole l. We present analysis of the cross-correlation for the WMAP ILC quadrupole...... and octupole from the first (ILC(I)) and the third (ILC(III)) year data releases and show that these correlations are about -0.52-0.6. Analysing 10^4 Monte Carlo simulations of the random Gaussian CMB signals, we show that the distribution function for the corresponding coefficient of the cross-correlation has...... of debiasing of the ILC CMB and pointed out that reconstruction of the bias seems to be very problematic due to statistical uncertainties. In addition, instability of the debiasing illuminates itself for the quadrupole and octupole components through the flip-effect, when the even (l+m) modes can...
Optimal Capacity Conversion for Product Transitions Under High Service Requirements
Li, Hongmin; Graves, Stephen C.; Huh, Woonghee Tim
2012-01-01
We consider the capacity planning problem during a product transition in which demand for a new-generation product gradually replaces that for the old product. Capacity for the new product can be acquired both by purchasing new production lines and by converting existing production lines for the old product. Furthermore, in either case, the new product capacity is “retrofitted” to be flexible, i.e., to be able to also produce the old product. This capacity planning problem arises regularly at...
Glass transition of ionic liquids under high pressure
Ribeiro, Mauro C. C.; Pádua, Agílio A. H.; Gomes, Margarida F. Costa
2014-06-01
The glass transition pressure at room temperature, pg, of six ionic liquids based on 1-alkyl-3-methylimidazolium cations and the anions [BF4]-, [PF6]-, and bis(trifluromethanesulfonyl)imide, [NTf2]-, has been obtained from the pressure dependence of the bandwidth of the ruby fluorescence line in diamond anvil cells. Molar volume, Vm(pg), has been estimated by a group contribution model (GCM) developed for the ionic liquids. A density scaling relation, TVγ, has been considered for the states Vm(pg, 295 K) and Vm(Tg, 0.1 MPa) using the simplifying condition that the viscosity at the glass transition is the same at pg at room temperature and at atmospheric pressure at Tg. Assuming a constant γ over this range of density, a reasonable agreement has been found for the γ determined herein and that of a previous density scaling analysis of ionic liquids viscosities under moderate conditions. Further support for the appropriateness of extrapolating the GCM equation of state to the GPa pressure range is provided by comparing the GCM and an equation of state previously derived in the power law density-scaling regime.
Interfacial stick–slip transition in hydroxyapatite filled high density polyethylene composite
Roy Joseph; M T Martyn; K E Tanner; P D Coates
2006-02-01
Effect of filler addition and temperature on the stick–slip transition in high density polyethylene melt was studied. Results showed that shear stresses corresponding to stick–slip transition increases with the addition of filler. Increase in temperature also increases the shear stresses for stick–slip transition. The features of the flow curves of composites and that of unfilled system remain identical. Filler addition lowers the shear rate at which the transition occurs. The composite extrudate did not show characteristic extrudate distortions associated with the unfilled polymer.
Fully Consistent Finite-Strain Landau Theory for High-Pressure Phase Transitions
Tröster, A.; Schranz, W.; Karsai, F.; Blaha, P.
2014-07-01
Landau theory (LT) is an indispensable cornerstone in the thermodynamic description of phase transitions. As with structural transitions, most applications require one to consistently take into account the role of strain. If temperature drives the transition, the relevant strains are, as a rule, small enough to be treated as infinitesimal, and therefore one can get away with linearized elasticity theory. However, for transitions driven by high pressure, strains may become so large that it is absolutely mandatory to treat them as finite and deal with the nonlinear nature of the accompanying elastic energy. In this paper, we explain how to set up and apply what is, in fact, the only possible consistent Landau theory of high-pressure phase transitions that systematically allows us to take these geometrical and physical nonlinearities into account. We also show how to incorporate available information on the pressure dependence of elastic constants taken from experiment or simulation. We apply our new theory to the example of the high-pressure cubic-tetragonal phase transition in strontium titanate, a model perovskite that has played a central role in the development of the theory of structural phase transitions. Armed with pressure-dependent elastic constants calculated by density-functional theory, we give an accurate description of recent high-precision experimental data and predict a number of elastic transition anomalies accessible to experiments.
Theoretical description of the octupole phase transition in Lanthanide nuclei at high spin
Garrote, E; Robledo, L M
1999-01-01
The phase transition to reflection asymmetric intrinsic nuclear shapes at high angular momentum is analyzed in the framework of the cranked Hartree-Fock-Bogoliubov approximation, with the Gogny interaction, using approximate parity projection before variation. The N=88 isotones are studied and good agreement is found for the energy splitting and dipole moments before and after the transition.
Metamagnetic transitions of DyAg in pulsed high magnetic field
Yamagishi, A.; Yonenobu, K.; Kondo, O.; Morin, P.; Date, M.
1990-12-01
Metamagnetic transitions of a single crystal DyAg are investigated by using pulsed magnetic fields up to 410 kOe. Four step-magnetizations are found with the field along the [111] direction. These transitions are well understood by introducing a new model that the quadrupole order is quenched under high magnetic field.
Metamagnetic transitions of DyAg in pulsed high magnetic field
Yamagishi, A.; Yonenobu, K.; Kondo, O.; Date, M. (Research Center for Extreme Materials, Osaka Univ. (Japan)); Morin, P. (Lab. Louis Neel, CNRS, 38 - Grenoble (France))
1990-12-01
Metamagnetic transitions of a single crystal DyAg are investigated by using pulsed magnetic fields up to 410 kOe. Four step-magnetizations are found with the field along the (111) direction. These transitions are well understood by introducing a new model that the quadrupole order is quenched under high magnetic field. (orig.).
Improving the Transition from High School to Postsecondary Education. Working Paper Series 04-1
Policy Analysis for California Education, PACE (NJ3), 2004
2004-01-01
This publication presents three working papers on the inadequacies and difficulties of successful transition from high school to college. These papers are derived from The Bridge Project, a six-state study of K-16 issues. These three papers do not attempt to cover all aspects of K-16 and transition issues. Consequently, the policy implications at…
Fast multipole boundary element method for Helmholtz equation problems%Helmholtz方程问题的快速多极边界元求解方法
于海源; 陈一鸣; 于春肖
2012-01-01
In order to overcome the difficulties of low computational efficiency and high memory requirement in the conventional boundary element method for solving large-scale Helmholtz equation problems, a fast multipole boundary element method for the problems of Helmholtz equation is presented. Two theorems are obtained based on the multipole expansion and the local expansion of the boundary element method fundamental solutions'Kernel function. What's more, the basic formulas and the main steps of the fast multipole boundary element method are described for 2D and 3D Helmholtz equation problems.%为了改善传统边界元在求解大规模Helmholtz方程的实际问题时计算效率低、存储量大的缺点,针对快速多极边界元法求解Helmholtz方程进行了理论分析.通过对二维和三维Helmholtz方程的基本解的核函数进行多极展开和局部展开,得到了相应的展开定理,并基于展开定理分别推导了二维和三维问题Helmholtz方程的快速多极边界元计算公式,给出了快速多极边界元法求解Helmholtz方程的主要计算步骤.
Chen, La; Maybeck, Vanessa; Offenhäusser, Andreas; Krause, Hans-Joachim
2016-06-01
We implemented a novel 2D magnetic twisting cytometry (MTC) based on a previously reported multi-pole high permeability electromagnet, in which both the strength and direction of the twisting field can be controlled. Thanks to the high performance twisting electromagnet and the heterodyning technology, the measurement frequency has been extended to the 1 kHz range. In order to obtain high remanence of the ferromagnetic beads, a separate electromagnet with feedback control was adopted for the high magnetic field polarization. Our setup constitutes the first instrument which can be operated both in MTC mode and in magnetic tweezers (MT) mode. In this work, the mechanical properties of HL-1 cardiomyocytes were characterized in MTC mode. Both anisotropy and log-normal distribution of cell stiffness were observed, which agree with our previous results measured in MT mode. The response from these living cells at different frequencies can be fitted very well by the soft glassy rheology model.
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.
Multipole Matrix Elements for Dh-Systems and Their Asymptotics
Tarasov, V. F.
A “DH-system” is defined as a multidimensional hydrogen atom (or its one-particle analogue), D≥1. Investigating many Coulomb problems in ℝD it is necessary to know exact analytical expressions of multipole matrix elements D for DH-systems, where q=(N, µ) is a set of parameters, N —"principal” and µ — "orbital” quantum numbers. The paper deals with the new method for the evaluation of similar matrix elements using new properties of Appell’s function F2(x, y) to the vicinity of the singular point (1, 1). Such approach allows: 1) to get exact analytical expressions of these matrix elements (considering the selection rules) by means of Appell’s F2 (or Clausen’s 3F2) functions; 2) to reveal “latent” symmetry of diagonal matrix elements with respect to the point k0=-3/2, the above symmetry is connected with the property of Appell’s function F2 (1,1) mirror-like symmetry; 3) to find (exact) asymptotics of the off-diagonal matrix elements in terms of Horn’s function ψ1 (x, y); 4) to prove that the orthogonality of radial functions fNµ (D, r) over N and μ for DH-systems is connected with the properties of Appell’s F2 function to the vicinity of the singular point (1, 1), it generalizes the known result for 3H-atom by Pasternack and Sternheimer, J. Math. Phys. 3, 1280 (1962).
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.
QIAO Er-Wei; ZHENG Hai-Fei; XU Bei
2009-01-01
The Raman spectroscopy of n-pentadecane is investigated in a moissanite anvil cell at normal temperatures and a diamond anvil cell under pressure to about 3000 MPa and at temperature from 298 to 573 K. Result indicates that at room temperature the vibration modes, assigned to the symmetric and asymmetric stretching of CH3 and CH2 stretching, shift to higher frequency and display a pressure dependent quasi-linear curve. A liquid-solid phase transition appears at a pressure of 150 MPa. The high temperature solidus line of n-pentadecane follows a quadratic function of P = 0.02369T2 - 9.117T + 725.58, in agreement with previous conclusion derived from studies of other hydrocarbons. Upon phase transition, fitting the experimental data obtained in a temperature range of 283-553 K to the Clausius-Clapeyron equation allows one to define the thermodynamic parameters of n-pentadecane of dP/dT = 0.04738T - 9.117.
Lasing and high temperature phase transitions in atomic systems with dressed state polaritons
Chestnov, I Yu
2013-01-01
We consider the fundamental problem of high temperature phase transitions in the system of high density two-level atoms off-resonantly interacting with a pump field in the presence of optical collisions (OCs) and placed in the cavity. OCs are considered in the framework of thermalization of atomic dressed state (DS) population. For the case of a strong atom-field coupling condition we analyze the problem of thermodynamically equilibrium superradiant phase transition for the order parameter representing a real amplitude of cavity mode and taking place as a result of atomic DSs thermalization process. Such transition is also connected with condensed (coherent) properties of low branch (LB) DS-polaritons occurring in the cavity. For describing non-equilibrium phase transitions we derive Maxwell-Bloch like equations which account for cavity decay rate, collisional decay rate and spontaneous emission. Various aspects of transitions to laser field formation by using atomic DS levels for both positive and negative d...
Validation of a RANS transition model using a high-order weighted compact nonlinear scheme
Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang
2013-04-01
A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.
Price, Sarah L; Leslie, Maurice; Welch, Gareth W A; Habgood, Matthew; Price, Louise S; Karamertzanis, Panagiotis G; Day, Graeme M
2010-08-14
Crystal structure prediction for organic molecules requires both the fast assessment of thousands to millions of crystal structures and the greatest possible accuracy in their relative energies. We describe a crystal lattice simulation program, DMACRYS, emphasizing the features that make it suitable for use in crystal structure prediction for pharmaceutical molecules using accurate anisotropic atom-atom model intermolecular potentials based on the theory of intermolecular forces. DMACRYS can optimize the lattice energy of a crystal, calculate the second derivative properties, and reduce the symmetry of the spacegroup to move away from a transition state. The calculated terahertz frequency k = 0 rigid-body lattice modes and elastic tensor can be used to estimate free energies. The program uses a distributed multipole electrostatic model (Q, t = 00,...,44s) for the electrostatic fields, and can use anisotropic atom-atom repulsion models, damped isotropic dispersion up to R(-10), as well as a range of empirically fitted isotropic exp-6 atom-atom models with different definitions of atomic types. A new feature is that an accurate model for the induction energy contribution to the lattice energy has been implemented that uses atomic anisotropic dipole polarizability models (alpha, t = (10,10)...(11c,11s)) to evaluate the changes in the molecular charge density induced by the electrostatic field within the crystal. It is demonstrated, using the four polymorphs of the pharmaceutical carbamazepine C(15)H(12)N(2)O, that whilst reproducing crystal structures is relatively easy, calculating the polymorphic energy differences to the accuracy of a few kJ mol(-1) required for applications is very demanding of assumptions made in the modelling. Thus DMACRYS enables the comparison of both known and hypothetical crystal structures as an aid to the development of pharmaceuticals and other speciality organic materials, and provides a tool to develop the modelling of the
Hazen, R. M.; Mariathasan, J. W. E.
1982-05-01
Lattice dimensions of bismuth vanadate have been determined under 37 different high-pressure or high-temperature conditions or a combination of these conditions. New high-pressure, high-temperature, single-crystal x-ray techniques were used to bracket the reversible monoclinic (ferroelastic) to tetragonal (paraelastic) transition.
X-ray resonant photoexcitation: linewidths and energies of Kα transitions in highly charged Fe ions.
Rudolph, J K; Bernitt, S; Epp, S W; Steinbrügge, R; Beilmann, C; Brown, G V; Eberle, S; Graf, A; Harman, Z; Hell, N; Leutenegger, M; Müller, A; Schlage, K; Wille, H-C; Yavaş, H; Ullrich, J; Crespo López-Urrutia, J R
2013-09-06
Photoabsorption by and fluorescence of the Kα transitions in highly charged iron ions are essential mechanisms for x-ray radiation transfer in astrophysical environments. We study photoabsorption due to the main Kα transitions in highly charged iron ions from heliumlike to fluorinelike (Fe24+ to Fe17+) using monochromatic x rays around 6.6 keV at the PETRA III synchrotron photon source. Natural linewidths were determined with hitherto unattained accuracy. The observed transitions are of particular interest for the understanding of photoexcited plasmas found in x-ray binary stars and active galactic nuclei.
Phase transition of solid bismuth under high pressure
Chen, Hai-Yan; Xiang, Shi-Kai; Yan, Xiao-Zhen; Zheng, Li-Rong; Zhang, Yi; Liu, Sheng-Gang; Bi, Yan
2016-10-01
As a widely used pressure calibrator, the structural phase transitions of bismuth from phase I, to phase II, to phase III, and then to phase V with increasing pressure at 300 K have been widely confirmed. However, there are different structural versions for phase III, most of which are determined by x-ray diffraction (XRD) technology. Using x-ray absorption fine structure (XAFS) measurements combined with ab initio calculations, we show that the proposed incommensurate composite structure of bismuth of the three configurations is the best option. An abnormal continuous increase of the nearest-neighbor distance of phase III with elevated pressure is also observed. The electronic structure transformation from semimetal to metal is responsible for the complex behavior of structure transformation. Project supported by the National Natural Science Foundation of China (Grant Nos. 10904133, 11304294, 11274281, 11404006, and U1230201), the Development Foundation of China Academy of Engineering Physics (Grant Nos. 2015B0101004, 2013B0401062, and 2012A0101001), the Research Foundation of the Laboratory of Shock Wave and Detonation, China (Grant No. 9140C670201140C67282).
K-theory and phase transitions at high energies
T. V. Obikhod
2016-06-01
Full Text Available The duality between E8xE8 heteritic string on manifold K3xT2 and Type IIA string compactified on a Calabi-Yau manifold induces a correspondence between vector bundles on K3xT2 and Calabi-Yau manifolds. Vector bundles over compact base space K3xT2 form the set of isomorphism classes, which is a semi-ring under the operation of Whitney sum and tensor product. The construction of semi-ring V ect X of isomorphism classes of complex vector bundles over X leads to the ring KX = K(V ect X, called Grothendieck group. As K3 has no isometries and no non-trivial one-cycles, so vector bundle winding modes arise from the T2 compactification. Since we have focused on supergravity in d = 11, there exist solutions in d = 10 for which space-time is Minkowski space and extra dimensions are K3xT2. The complete set of soliton solutions of supergravity theory is characterized by RR charges, identified by K-theory. Toric presentation of Calabi-Yau through Batyrev's toric approximation enables us to connect transitions between Calabi-Yau manifolds, classified by enhanced symmetry group, with K-theory classification.
Gravitational waves from the first order phase transition of the Higgs field at high energy scales
Jinno, Ryusuke; Nakayama, Kazunori; Takimoto, Masahiro
2016-02-01
In a wide class of new physics models, there exist scalar fields that obtain vacuum expectation values of high energy scales. We study the possibility that the standard model Higgs field has experienced first order phase transition at the high energy scale due to the couplings with these scalar fields. We estimate the amount of gravitational waves produced by the phase transition, and discuss observational consequences.
Gravitational Waves from the First Order Phase Transition of the Higgs Field at High Energy Scales
Jinno, Ryusuke; Takimoto, Masahiro
2015-01-01
In a wide class of new physics models, there exist scalar fields which obtain vacuum expectation values of high energy scales. We study the possibility that the standard model Higgs field has experienced first-order phase transition at the high energy scale due to the couplings with these scalar fields.We estimate the amount of gravitational waves produced by the phase transition, and discuss observational consequences.
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.
Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul, E-mail: paul.tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludwig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)
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{sup 3}-10{sup 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.
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.
Bastin, K.T.; Podgorsak, M.B.; Thomadsen, B.R. (Univ. of Wisconsin Hospitals and Clinics, Madison, WI (United States))
1993-07-15
The purpose was to measure the transit dose produced by a moving high dose rate brachytherapy source and assess its clinical significance. The doses produced from source movement during Ir-192 HDR afterloading were measured using calibrated thermoluminescent dosimeter rods. Transit doses at distances of 0.5-4.0 cm from an endobronchial applicator were measured using a Lucite phantom accommodating 1 x 1 x 6 mm thermoluminescent rods. Surface transit dose measurements were made using esophageal and endobronchial catheters, a gynecologic tandem, and an interstitial needle. No difference was detected in thermoluminescent dosimeter rod responses to 4 MV and Ir-192 spectra (427 nC/Gy) in a range of dose between 2 and 300 cGy. The transit dose at 0.5 cm from an endobronchial catheter was 0.31 cGy/(Curie-fraction) and followed an inverse square fall-off with increasing distance. Surface transit doses ranged from 0.38 cGy/(Curie-fraction) for an esophageal catheter to 1.03 cGy/(Curie-fraction) for an endobronchial catheter. Source velocity is dependent on the interdwell distance and varies between 220-452 mm/sec. A numeric algorithm was developed to calculate total transit dose, and was based on a dynamic point approximation for the moving high dose rate source. This algorithm reliably predicted the empirical transit doses and demonstrated that total transit dose is dependent on source velocity, number of fractions, and source activity. Surface transit doses are dependent on applicator diameter and wall material and thickness. Total transit doses within or outside the desired treatment volume are typically <100 cGy, but may exceed 200 cGy when using a large number of fractions with a high activity source. 9 refs., 8 figs., 1 tab.
Multipole analysis for electromagnetism and linearized gravity with irreducible Cartesian tensors
Damour, T.; Iyer, B.R. (Institut des Hautes Etudes Scientifiques 91440 Bures sur Yvette, France Departement d' Astrophysique Relativiste et de Cosmologie, Centre National de la Recherche Scientifique-Observatoire de Paris, 92195 Meudon CEDEX, France (FR))
1991-05-15
The relativistic time-dependent multipole expansion for electromagnetism and linearized gravity in the region outside a spatially compact source has been obtained directly using the formalism of irreducible Cartesian (i.e., symmetric trace-free) tensors. In the electromagnetic case, our results confirm the validity of the results obtained earlier by Campbell, Macek, and Morgan using the Debye potential formalism. However, in the more complicated linearized gravity case, the greater algebraic transparence of the Cartesian multipole approach has allowed us to obtain, for the first time, fully correct closed-form expressions for the time-dependent mass and spin multipole moments (the results of Campbell {ital et} {ital al}. for the mass moments turning out to be incorrect). The first two terms in the slow-motion expansion of the gravitational moments are explicitly calculated and shown to be equivalent to earlier results by Thorne and by Blanchet and Damour.
Kanduc, M; Podgornik, R [Department of Theoretical Physics, J Stefan Institute, SI-1000 Ljubljana (Slovenia); Naji, A [Department of Physics, Department of Chemistry and Biochemistry, Materials Research Laboratory, University of California, Santa Barbara, CA 93106 (United States); Jho, Y S; Pincus, P A [Materials Research Laboratory, University of California, Santa Barbara, CA 93106 (United States)
2009-10-21
We present general arguments for the importance, or lack thereof, of structure in the charge distribution of counterions for counterion-mediated interactions between bounding symmetrically charged surfaces. We show that on the mean field or weak coupling level, the charge quadrupole contributes the lowest order modification to the contact value theorem and thus to the intersurface electrostatic interactions. The image effects are non-existent on the mean field level even with multipoles. On the strong coupling level the quadrupoles and higher order multipoles contribute additional terms to the interaction free energy only in the presence of dielectric inhomogeneities. Without them, the monopole is the only multipole that contributes to the strong coupling electrostatics. We explore the consequences of these statements in all their generality.
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.
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.
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...
High-precision Stellar Limb-darkening in Exoplanetary Transits
Morello, G.; Tsiaras, A.; Howarth, I. D.; Homeier, D.
2017-09-01
Characterization of the atmospheres of transiting exoplanets relies on accurate measurements of the extent of the optically thick area of the planet at multiple wavelengths with a precision ≲ 100 parts per million (ppm). Next-generation instruments onboard the James Webb Space Telescope (JWST) are expected to achieve ∼10 ppm precision for several tens of targets. A similar precision can be obtained in modeling only if other astrophysical effects, including the stellar limb-darkening, are properly accounted for. In this paper, we explore the limits on precision due to the mathematical formulas currently adopted to approximate the stellar limb-darkening, and due to the use of limb-darkening coefficients obtained either from stellar-atmosphere models or empirically. We recommend the use of a two-coefficient limb-darkening law, named “power-2,” which outperforms other two-coefficient laws adopted in the exoplanet literature in most cases, and particularly for cool stars. Empirical limb-darkening based on two-coefficient formulas can be significantly biased, even if the light-curve residuals are nearly photon-noise limited. We demonstrate an optimal strategy to fitting for the four-coefficient limb-darkening in the visible, using prior information on the exoplanet orbital parameters to break some of the degeneracies that otherwise would prevent the convergence of the fit. Infrared observations taken with the JWST will provide accurate measurements of the exoplanet orbital parameters with unprecedented precision, which can be used as priors to improve the stellar limb-darkening characterization, and therefore the inferred exoplanet parameters, from observations in the visible, such as those taken with Kepler/K2, the JWST, and other past and future instruments.
Symmetrization driven spin transition in ɛ-FeOOH at high pressure
Gleason, A. E.; Quiroga, C. E.; Suzuki, A.; Pentcheva, R.; Mao, W. L.
2013-10-01
Structural and electronic spin transitions in high-pressure ε-FeOOH are studied using a combination of high pressure X-ray emission spectroscopy (XES), X-ray diffraction (XRD) and density functional theory (DFT) calculations. Using XES, a high- to low-spin transition in trivalent iron is found in ε-FeOOH on compression between 40 and 60 GPa. This is accompanied by a sudden discontinuity in unit cell volume at 53(±2) GPa, obtained from XRD data collected over the same compression range. These results are consistent with DFT calculations using an on-site Coulomb repulsion term (GGA+U), which predict a spin transition in ε-FeOOH at 64.8 GPa. A second order phase transition from P21nm to Pnnm is predicted from DFT at ∼43 GPa and evidenced in the XRD data from the anisotropic stiffening of the lattice parameters around the spin transition. In addition, the DFT results give evidence that the spin collapse is assisted by symmetrization of hydrogen bonds during the transition from P21nm to Pnnm. As the presence of hydrogen, even in small quantities, can affect phase relations, melting temperature, rheology, and other key properties of the Earth's mantle, our study unveils a connection between water (hydroxyl) content and the spin-transition pressure of Fe3+ in the Earth's mantle.
Phase transition and high pressure behavior of Zirconium and Niobium carbides
Singh, Archana; Aynyas, Mahendra; Sanyal, Sankar
2009-03-01
We have predicted the phase transition pressure (PT)and high pressure behavior of Zirconium and Niobium carbide (ZrC, NbC). The high pressure structural phase transitions in ZrC and NbC has been studied by using a two body inter-ionic potential model, which includes the Coulomb screening effect, due to the semi-metallic nature of these compounds. These transition metal carbides have been found to undergo NaCl (B1) to CsCl (B2)-type structural phase transition, at high pressure like other binary systems. We predict such structural transformation in ZrC and NbC at a pressure of 98GPa and 85GPa respectively. We have also predicted second order elastic constant and bulk modulus. The present theoretical work has been compared with the corresponding experimental data and prediction of LAPW and GGA and LDA theories.
Transition radiation at radio frequencies from ultra-high energy neutrino-induced showers
Motloch, Pavel; Privitera, Paolo; Zas, Enrique
2015-01-01
Coherent radiation at radio frequencies from high-energy showers fully contained in a dense radio-transparent medium - like ice, salt or regolith - has been extensively investigated as a promising technique to search for ultra-high energy (UHE) neutrinos. Additional emission in the form of transition radiation may occur when a neutrino-induced shower produced close to the Earth surface emerges from the ground into atmospheric air. We present the first detailed evaluation of transition radiation from high-energy showers crossing the boundary between two different media. We found that transition radiation is sizable over a wide solid angle and coherent up to $\\sim$ 1 GHz. These properties encourage further work to evaluate the potential of a large-aperture UHE neutrino experiment based on detection of transition radiation.
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.
Wang, Z.; Lupo, J.; Patnaik, S.S.; McKenney, A.; Pachter, R.
1999-07-01
The Fast Multipole Method (FMM) offers an efficient way (order O(N)) to handle long range electrostatic interactions, thus enabling more realistic molecular dynamics simulations of large molecular systems. The performance of the fast molecular dynamics (FMD) code, a parallel MD code being developed in the group, using the three-dimensional fast multipole method, shows a good speedup. The application to the full atomic-scale molecular dynamics simulation of a liquid crystalline droplet of 4-n-pentyl-4{prime}-cyanobiphenyl (5CB) molecules, of size 35,872 atoms, shows strong surface effects on various orientational order parameters.
Lim, Wen Xiang; Han, Song; Gupta, Manoj; MacDonald, Kevin F.; Singh, Ranjan
2017-08-01
We report on an experimental and computational (multipole decomposition) study of Fano resonance modes in complementary near-IR plasmonic metamaterials. Resonance wavelengths and linewidths can be controlled by changing the symmetry of the unit cell so as to manipulate the balance among multipole contributions. In the present case, geometrically inverting one half of a four-slot (paired asymmetric double bar) unit cell design changes the relative magnitude of magnetic quadrupole and toroidal dipole contributions leading to the enhanced quality factor, figure of merit, and spectral tuning of the plasmonic Fano resonance.
Termination shock thermal processes as a possible source for the CMB low-order multipole anomalies
2009-01-01
We discuss the possibility that the observed low-order multipole features of the cosmic microwave background radiation (CMB) all originate in the termination shock (TS) region of the heliosheath that surrounds the solar system. If the intrinsic CMB spectrum is assumed to be a pure monopole (2.73K) then thermodynamic processes occurring within the plasma region of the TS could imprint the observed power spectrum of the low-order multipoles and their alignment (the so-called "axis of evil") ont...
A. Schroeder
2012-09-01
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.
Fast Multipole BEM for 3-D Elastostatic Problems with Applications for Thin Structures
ZHAO Libin; YAO Zhenhan
2005-01-01
The fast multipole method (FMM) has been used to reduce the computing operations and memory requirements in large numerical analysis problems. In this paper, the FMM based on Taylor expansions is combined with the boundary element method (BEM) for three-dimensional elastostatic problems to solve thin plate and shell structures. The fast multipole boundary element method (FM-BEM) requires O(N) operations and memory for problems with N unknowns. The numerical results indicate that for the analysis of thin structures, the FM-BEM is much more efficient than the conventional BEM and the accuracy achieved is sufficient for engineering applications.
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.
Multipole Field Effects for the Superconducting Parallel-Bar Deflecting/Crabbing Cavities
De Silva, Payagalage Subashini Uddika [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States) and Old Dominion University, Norfolk, VA (United States); Delayen, Jean Roger [Old Dominion University, Norfolk, VA (United States)
2012-09-01
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.
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.
Model investigation of non-thermal phase transition in high energy collisions
无
2000-01-01
The non-thermal phase transition in high energy collisions is studied in detail in the framework of random cascade model. The relation between the characteristic parameter λq of phase transition and the rank q of moment is obtained using Monte Carlo simulation, and the existence of two phases in self-similar cascading multiparticle systems is shown. The relation between the critical point qc of phase transition on the fluctuation parameter α is obtained and compared with the experimental results from NA22. The same study is carried out also by analytical calculation under central limit approximation. The range of validity of the central limit approximation is discussed.
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 ...
Dai, Wei [Hubei Univ. of Education, Wuhan (China). Dept. of Physics and Electronics; Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Fluid Physics; Song, Jin-Fan; Wang, Ping; Lu, Cheng; Lu, Zhi-Wen [Nanyang Normal Univ. (China). Dept. of Physics; Tan, Xiao-Ming [Ludong Univ., Yantai (China). Dept. of Physics
2011-10-15
A theoretical investigation on structural and elastic properties of zinc sulfide semiconductor under high pressure is performed by employing the first-principles method based on the density functional theory. The calculated results show that the transition pressure P{sub t} for the structural phase transition from the B3 structure to the B1 structure is 17.04 GPa. The calculated values are generally speaking in good agreement with experiments and with similar theoretical calculations. (orig.)
Refining Parameters of the XO-5 Planetary System with High-Precision Transit Photometry
Maciejewski, G; Adam, Ch; Raetz, St; Neuhaeuser, R
2011-01-01
Studies of transiting extrasolar planets offer an unique opportunity to get to know the internal structure of those worlds. The transiting exoplanet XO-5 b was found to have an anomalously high Safronov number and surface gravity. Our aim was to refine parameters of this intriguing system and search for signs of transit timing variations. We gathered high-precision light curves of two transits of XO-5 b. Assuming three different limb darkening laws, we found the best-fitting model and redetermined parameters of the system, including planet-to-star radius ratio, impact parameter and central time of transits. Error estimates were derived by the prayer bead method and Monte Carlo simulations. Although system's parameters obtained by us were found to agree with previous studies within one sigma, the planet was found to be notable smaller with the radius of 1.03+0.06-0.05 Jupiter radii. Our results confirm the high Safronov number and surface gravity of the planet. With two new mid-transit times, the ephemeris was...
Electron Trapping in Multipole Magnet%多极场的电子云俘获效应研究
朱雄伟; 国智元
2004-01-01
The electron cloud effect limits the performance of several accelerators with high beam current, such as SLAC and KEK Bfactories, the CERN SPS and the CERN PS. In this paper, the electron trapping in general 2n multipole magnet ( n is integer) isstudied, and we find that there exists electron trapping in the adiabatic region of the multiple magnet ( n＞1 ).%电子云效应限制了几台加速器的高束流密度运行,例如SLAC和KEK的B工厂,CERN的SPS与PS.本文运用辛流形上的1-form李摄动法研究了2n多极场的电子云俘获效应,结果发现在多极磁铁(n＞1)的绝热区存在电子俘获.
Sullivan, M.; Caspi, S.; Forest, E.; Robin, D.; Zholents, A.; Cai, Y.; Destaebler, H.; Donald, M.; Helm, R.; Irwin, J.
1994-06-01
The low-energy beam of the proposed PEP-II B factory enters the first quadrupole (Q1) after the interaction point off axis in order to separate the low-energy beam from the high-energy beam. The off-axis beam orbit in Q1 gives rise to significant feed-down terms from higher multipoles that originate from systematic effects and random fabrication errors. The authors study superconducting and permanent magnet designs of Q1, and look at the effect these different designs have on the dynamic aperture. Including a dipole field in a superconducting design allows one to offset the magnetic axis from the mechanical axis, thereby maintaining the separation of the beams while greatly reducing the feed-down effect. They illustrate relevant points of the discussion with tracking results for the PEP-II low-energy ring.
High Energy Rate Forming Induced Phase Transition in Austenitic Steel
Kovacs, T.; Kuzsella, L.
2017-02-01
In this study, the effects of explosion hardening on the microstructure and the hardness of austenitic stainless steel have been studied. The optimum explosion hardening technology of austenitic stainless steel was researched. In case of the explosive hardening used new idea means indirect hardening setup. Austenitic stainless steels have high plasticity and can be cold formed easily. However, during cold processing the hardening phenomena always occurs. Upon the explosion impact, the deformation mechanism indicates a plastic deformation and this deformation induces a phase transformation (martensite). The explosion hardening enhances the mechanical properties of the material, includes the wear resistance and hardness [1]. In case of indirect hardening as function of the setup parameters specifically the flayer plate position the hardening increased differently. It was find a relationship between the explosion hardening setup and the hardening level.
Effect of stellar activity on the high precision transit light curve
Oshagh, M.
2015-01-01
Full Text Available Stellar activity features such as spots and plages can create difficulties in determining planetary parameters through spectroscopic and photometric observations. The overlap of a transiting planet and a stellar spot, for instance, can produce anomalies in the transit light curve that may lead to inaccurate estimation of the transit duration, depth, and timing. Such inaccuracies can affect the precise derivation of the planet’s radius. In this talk we will present the results of a quantitative study on the effects of stellar spots on high precision transit light curves. We show that spot anomalies can lead to the estimate of a planet radius that is 4% smaller than the real value. The effects on the transit duration can also be of the order of 4%, longer or shorter. Depending on the size and distribution of spots, anomalies can also produce transit timing variations with significant amplitudes. For instance, TTVs with signal amplitudes of 200 seconds can be produced by spots as large as the largest sunspot. Finally, we examine the impact of active regions on the transit depth measurements in different wavelengths, in order to probe the impact of this effect on transmission spectroscopy measurements. We show that significant (up to 10% underestimation/overestimation of the planet-to-star radius ratio can be measured, especially in the short wavelength regime.
Development of a Transition Process Scale for High-risk Infant’s Caregiver
Mi YU
2016-02-01
Full Text Available Background: Transition into parenthood is a major developmental life event and is very significant because development in infanthood is affected by the transition process of mothers parenting an infant. This study aimed to develop the assessment tool for transition process of high risk infant’s caregiver in Korea.Methods: The participants were 246 mothers of premature infant born with gestational age (< 37 weeks or low birth weight (< 2500 gm, of less than 24 months of age. Preliminary items were derived from transition process scale for parent of children with autism. Factor analysis was performed to test construct validity of the scale, the correlation between transition processes and parenting efficacy was used for testing predictive validity.Results: The final scale was composed of 23 items divided into 5 factors: wandering (7 items, devotion (5 items, acceptance (4 items, denial (4 items, frustration (3 items. The total variance for validity described by the 5 factors was 60.8% and the reliability of the scale was total Cronbach’s α 0.90 and wandering 0.85, devotion 0.78, acceptance 0.72, denial 0.72, and frustration 0.71. Correlation between transition process and parenting efficacy was statistically significant; wandering(r=-0.61, P <.001, devotion (r=-0.60, P<.001, acceptance (r=0.30, P <.001, denial (r=-0.31, P <.001 and frustration (r= -0.27, P <.001.Conclusion: This final assessment scale will be used to investigate high-risk infant caregiver’s transition process and provide basic data for program development to provide differentiated support and care at each process. Keywords: Caregiver, High risk, Infant, Scale, Transition
Parental involvement protects against self-medication behaviors during the high school transition.
Gottfredson, Nisha C; Hussong, Andrea M
2011-12-01
We examined how drinking patterns change as adolescents transition to high school, particularly as a function of parental involvement. Stress associated with the transition to high school may deplete psychological resources for coping with negative daily emotions in an environment when opportunities to drink are more common. A cohort of elevated-risk middle school students completed daily negative affect (sadness, worry, anger, and stress) and alcohol use assessments before and after the transition to high school, resulting in a measurement burst design. Adolescents who reported less parental involvement were at higher risk for drinking on any given day. After (but not before) the transition to high school, daily within-person fluctuations of sadness predicted an increased probability of same-day alcohol use for adolescents who reported that their parents were minimally involved in their lives. The other negative affect indicators were not predictive of use. Our results suggest that the transition to high school may represent an important intervention leverage point, particularly for adolescents who lack adequate parental support to help them cope with day-to-day changes in sadness.
Poursina, Mohammad [Department of Aerospace and Mechanical Engineering, University of Arizona, Tucson, AZ 85721 (United States); Anderson, Kurt S. [Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute (RPI), Troy, NY 12180 (United States)
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.
High pressure structural phase transitions of TiO2 nanomaterials
Quan-Jun, Li; Bing-Bing, Liu
2016-07-01
Recently, the high pressure study on the TiO2 nanomaterials has attracted considerable attention due to the typical crystal structure and the fascinating properties of TiO2 with nanoscale sizes. In this paper, we briefly review the recent progress in the high pressure phase transitions of TiO2 nanomaterials. We discuss the size effects and morphology effects on the high pressure phase transitions of TiO2 nanomaterials with different particle sizes, morphologies, and microstructures. Several typical pressure-induced structural phase transitions in TiO2 nanomaterials are presented, including size-dependent phase transition selectivity in nanoparticles, morphology-tuned phase transition in nanowires, nanosheets, and nanoporous materials, and pressure-induced amorphization (PIA) and polyamorphism in ultrafine nanoparticles and TiO2-B nanoribbons. Various TiO2 nanostructural materials with high pressure structures are prepared successfully by high pressure treatment of the corresponding crystal nanomaterials, such as amorphous TiO2 nanoribbons, α-PbO2-type TiO2 nanowires, nanosheets, and nanoporous materials. These studies suggest that the high pressure phase transitions of TiO2 nanomaterials depend on the nanosize, morphology, interface energy, and microstructure. The diversity of high pressure behaviors of TiO2 nanomaterials provides a new insight into the properties of nanomaterials, and paves a way for preparing new nanomaterials with novel high pressure structures and properties for various applications. Project supported by the National Basic Research Program of China (Grant No. 2011CB808200), the National Natural Science Foundation of China (Grant Nos. 11374120, 11004075, 10979001, 51025206, 51032001, and 21073071), and the Cheung Kong Scholars Programme of China.
Computational Study of Plasma Response to a Variable Electric Multipole Configuration
Hicks, Nathaniel
2016-10-01
A computational study is presented of the behavior of a low temperature, quasi-neutral plasma in a three-dimensional, time-varying electric multipole field. A 3-D particle- in-cell (PIC) plasma code is used to simulate the process. The simulations study the effect of the plasma species' mass difference on the plasma response, with the multipole field frequency being chosen, for example, to interact strongly with light particles but negligibly with heavy ones. The effect of focusing the light species to the center of the multipole structure is examined, with space charge neutralized by the presence of the heavy species. The dependence of plasma density on driving field parameters and geometry (order of multipole, shape of equipotential surfaces) is studied, as well as the behavior of the plasma near gyroresonance in the presence of a background magnetic field. The formation and dependences of the RF plasma sheath are studied, as the sheath responds to variation of the plasma and external field characteristics. The results of the computer modeling study are to inform an initial experimental design and study of the same effects. Supported by NSF/DOE Partnership in Basic Plasma Physics and Engineering Award PHY-1619615.
Identifying the Development in Phase and Amplitude of Dipole and Multipole Radiation
Rice, E. M.; Bradshaw, D. S.; Saadi, K.; Andrews, D. L.
2012-01-01
The spatial variation in phase and the propagating wave-front of plane wave electromagnetic radiation are widely familiar text-book territory. In contrast, the developing amplitude and phase of radiation emitted by a dipole or multipole source generally receive less attention, despite the prevalence of these systems. There is additional complexity…
Dixon, Roselyn M.; Tanner, Kathleen
2013-01-01
Adolescents with Asperger syndrome (AS) are increasingly being placed in academically focused high schools. These students, although academically able, may not be coping with the wider classroom and social demands of transition to, and within, the high school environment. Schools are keen to enroll these students. However, there appears to be a…
Dipeolu, Abiola O.; Storlie, Cassandra; Johnson, Carol
2014-01-01
There are limited school counseling resources that address the unique post high school transition issues faced by students with High-functioning Autism Spectrum Disorder (HASD). While many school counselors have excellent skills in assessment, advising, and career planning, it is worthwhile to expand these to include working with students with…
College Student for a Day: A Transition Program for High School Students with Disabilities
Novakovic, Alexandra; Ross, Denise E.
2015-01-01
High school students with disabilities can benefit from early exposure to campus-based accommodations and supports as they transition to college. College Student for a Day (CSFAD) is an on-campus activity-based program that introduces high school students with disabilities to supports and accommodations on a college campus. This Practice Brief…
Phase transition and superconductivity of SrFe2As2 under high pressure
Uhoya, Walter [University of Alabama, Birmingham; Montgomery, Jeffrey M [University of Alabama, Birmingham; Tsoi, Georgiy [University of Alabama, Birmingham; Vohra, Yogesh [University of Alabama, Birmingham; McGuire, Michael A [ORNL; Sefat, A. S. [Oak Ridge National Laboratory (ORNL); Sales, Brian C [ORNL; Weir, S. T. [Lawrence Livermore National Laboratory (LLNL)
2011-01-01
High pressure x-ray diffraction and electrical resistance measurements have been carried out on SrFe{sub 2}As{sub 2} to a pressure of 23 GPa and temperature of 10 K using a synchrotron source and designer diamond anvils. At ambient temperature, a phase transition from the tetragonal phase to a collapsed tetragonal (CT) phase is observed at 10 GPa under non-hydrostatic conditions. The experimental relation that T-CT transition pressure for 122 Fe-based superconductors is dependent on ambient pressure volume is affirmed. The superconducting transition temperature is observed at 32 K at 1.3 GPa and decreases rapidly with a further increase of pressure in the region where the T-CT transition occurs. Our results suggest that T{sub C} falls below 10 K in the pressure range of 10-18 GPa where the CT phase is expected to be stable.
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.
Beu, Steven C; Hendrickson, Christopher L; Marshall, Alan G
2011-03-01
Radiofrequency (rf) multipole ion guides are widely used to transfer ions through the strong magnetic field gradient between source and analyzer regions of external source Fourier transform ion cyclotron resonance mass spectrometers. Although ion transfer as determined solely by the electric field in a multipole ion guide has been thoroughly studied, transfer influenced by immersion in a strong magnetic field gradient has not been as well characterized. Recent work has indicated that the added magnetic field can have profound effects on ion transfer, ultimately resulting in loss of ions initially contained within the multipole. Those losses result from radial ejection of ions due to transient cyclotron resonance that occurs when ions traverse a region in which the magnetic field results in an effective cyclotron frequency equal to the multipole rf drive frequency divided by the multipole order (multipole order is equal to one-half the number of poles). In this work, we describe the analytical basis for ion resonance in a rf multipole ion guide with superposed static magnetic field and compare with results of numerical trajectory simulations. © American Society for Mass Spectrometry, 2011
Exoplanet transits enable high-resolution spectroscopy across spatially resolved stellar surfaces
Dravins, Dainis; Dahlén, Erik; Pazira, Hiva
2016-01-01
Observations of stellar surfaces - except for the Sun - are hampered by their tiny angular extent, while observed spectral lines are smeared by averaging over the stellar surface, and by stellar rotation. Exoplanet transits can be used to analyze stellar atmospheric structure, yielding high-resolution spectra across spatially highly resolved stellar surfaces, free from effects of spatial smearing and the rotational wavelength broadening present in full-disk spectra. During a transit, stellar surface portions successively become hidden, and differential spectroscopy between various transit phases provides spectra of those surface segments then hidden behind the planet. The small area subtended by even a large planet (about 1% of a main-sequence star) offers high spatial resolution but demands very precise observations. We demonstrate the reconstruction of photospheric FeI line profiles at a spectral resolution R=80,000 across the surface of the solar-type star HD209458. Any detailed understanding of stellar at...
Features improvement techniques supply of highly skilled bodybuilders in transition training
Oleksandr Aghyppo
2015-03-01
Full Text Available Purpose of this paper is to improve the supply of highly skilled technique bodybuilders training in a transition period with the restoration of lean body mass and functional state of an athlete after a competitive activity. Material and Method: the study involved 18 highly skilled bodybuilders are included in the team of the Kharkiv region of Ukraine and bodybuilding. Results: a comparative characteristic of the conventional technique that is often used in the training process in bodybuilding. Developed and justified the optimal technique for highly skilled bodybuilders, depending on the initial form of the athlete at the beginning of the transition period of training. Conclusions: on the basis of the study the author suggests best practices in supply depending on the microcycle training in transition training.
Structural and magnetic phase transitions in NdCoAsO under high pressures
Uhoya, Walter; Tsoi, Georgiy M.; Vohra, Yogesh K.; McGuire, Michael A.; Sefat, Athena S.; Sales, Brian C.; Mandrus, David; Weir, Samuel T. (UAB); (ORNL); (LLNL)
2010-05-04
We have investigated structural and magnetic phase transitions under high pressures in a quaternary rare-earth transition-metal arsenide oxide NdCoAsO compound that is isostructural to the high temperature superconductor parent phase NdFeAsO. The four-probe electrical resistance measurements carried out in a designer diamond anvil cell show that the ferromagnetic Curie temperature and antiferromagnetic Neel temperature increase with an increase in pressure. High pressure x-ray diffraction studies using a synchrotron source show a structural phase transition from a tetragonal phase to a new crystallographic phase at a pressure of 23 GPa at 300 K. The NdCoAsO sample remained antiferromagnetic and non-superconducting down to 10 K and up to the highest pressure achieved in this experiment, 53 GPa. A P-T phase diagram for NdCoAsO is presented from ambient conditions to P = 53 GPa and T = 10 K.
Structural and magnetic phase transitions in NdCoAsO under high pressures
Uhoya, Walter [University of Alabama, Birmingham; Tsoi, Georgiy [University of Alabama, Birmingham; Vohra, Y. K. [University of Alabama, Birmingham; McGuire, Michael A [ORNL; Sefat, A. S. [Oak Ridge National Laboratory (ORNL); Sales, Brian C [ORNL; Mandrus, David [ORNL; Weir, S. T. [Lawrence Livermore National Laboratory (LLNL)
2010-01-01
We have investigated structural and magnetic phase transitions under high pressures in a quaternary rare-earth transition-metal arsenide oxide NdCoAsO compound that is isostructural to the high temperature superconductor parent phase NdFeAsO. The four-probe electrical resistance measurements carried out in a designer diamond anvil cell show that the ferromagnetic Curie temperature and antiferromagnetic Neel temperature increase with an increase in pressure. High pressure x-ray diffraction studies using a synchrotron source show a structural phase transition from a tetragonal phase to a new crystallographic phase at a pressure of 23 GPa at 300 K. The NdCoAsO sample remained antiferromagnetic and non-superconducting down to 10 K and up to the highest pressure achieved in this experiment, 53 GPa. A P-T phase diagram for NdCoAsO is presented from ambient conditions to P = 53 GPa and T = 10 K.
Berengut, J C; Dzuba, V A; Flambaum, V V; Ong, A
2012-08-17
We study electronic transitions in highly charged Cf ions that are within the frequency range of optical lasers and have very high sensitivity to potential variations in the fine-structure constant, α. The transitions are in the optical range despite the large ionization energies because they lie on the level crossing of the 5f and 6p valence orbitals in the thallium isoelectronic sequence. Cf(16+) is a particularly rich ion, having several narrow lines with properties that minimize certain systematic effects. Cf(16+) has very large nuclear charge and large ionization energy, resulting in the largest α sensitivity seen in atomic systems. The lines include positive and negative shifters.
Volino, Ralph John
1995-01-01
Measurements from transitional, heated boundary layers along a concave-curved test wall are presented and discussed. A boundary layer subject to low free-stream turbulence intensity (FSTI), which contains stationary streamwise (Gortler) vortices, is documented. The low FSTI measurements are followed by measurements in boundary layers subject to high (initially 8%) free-stream turbulence intensity and moderate to strong (K = {nuover U_sp{infty} {2}}{dUinftyover dx} as high as 9times 10^{ -6}) acceleration. The high FSTI experiments are the main focus of the work. Conditions were chosen to simulate those present on the downstream half of the pressure side of a gas turbine airfoil. The high FSTI boundary layers undergo transition from a strongly disturbed non-turbulent state to a fully-turbulent state. Due to the stabilizing effect of strong acceleration, the transition zones are of extended length in spite of the high FSTI. Transitional values of skin friction coefficients and Stanton numbers drop below flat-plate, low FSTI, turbulent flow correlations, but remain well above laminar flow values. Mean velocity and temperature profiles exhibit clear changes in shape as the flow passes through transition. Turbulence statistics, including the turbulent shear stress, turbulent heat flux, and turbulent Prandtl number, are documented. Turbulent transport is strongly suppressed below values in unaccelerated turbulent boundary layers. A technique called "octant analysis" is introduced and applied to several cases from the literature as well as to data from the present study. Octant analysis shows a fundamental difference between transitional and fully-turbulent boundary layers. Transitional boundary layers are characterized by incomplete mixing compared to fully-turbulent boundary layers. Similar octant analysis results are observed in both low and high FSTI cases. Spectral analysis suggests that the non-turbulent zone of the high FSTI flow is dominated by large scale
Electric multipole response of the halo nucleus {sup 6}He
Singh, Jagjit; Fortunato, L.; Vitturi, A. [Dipartimento di Fisica e Astronomia ' ' G. Galilei' ' , Padova (Italy); INFN, Sezione di Padova, Padova (Italy); Chatterjee, R. [Indian Institute of Technology, Department of Physics, Roorkee (India)
2016-07-15
The role of different continuum components in the weakly bound nucleus {sup 6}He is studied by coupling unbound spd-waves of {sup 5}He by means of simple pairing contact-delta interaction. The results of our previous investigations in a model space containing only p-waves showed the collective nature of the ground state and allowed the calculation of the electric quadrupole transitions. We extend this simple model by including also sd-continuum neutron states and we investigate the electric monopole, dipole and octupole response of the system for transitions to the continuum, discussing the contribution of different configurations. (orig.)
Bohnert, Amy M; Aikins, Julie Wargo; Arola, Nicole T
2013-01-01
Although organized activities (OAs) have been established as important contexts of development, limited work has examined the role of OAs across the high school transition in buffering adolescents' social adjustment by providing opportunities for visibility and peer affiliation. The transition to high school is characterized by numerous changes and OAs may provide an important setting for establishing and maintaining peer relationships during this tumultuous time. This study included 151 8th grade U.S. students (58% male) who were assessed across the transition to high school (spring of 8th and 9th grade). Continuous involvement in academic activities across the transition and becoming involved (i.e., initiation) in community/service activities following the transition was associated with fewer depressive symptoms in the spring of 9th grade. Continuous involvement in sports and initiation of academic activities was associated with having more friendships. In addition, links between OAs and loneliness were only evident among females. There appear to be significant social benefits for OA involvement.
High-speed laminar-turbulent boundary layer transition induced by a discrete roughness element
Iyer, Prahladh; Mahesh, Krishnan
2013-11-01
Direct numerical simulation (DNS) is used to study laminar to turbulent transition induced by a discrete hemispherical roughness element in a high-speed laminar boundary layer. The simulations are performed under conditions matching the experiments of Danehy et al. (AIAA Paper 2009-394, 2009) for free-stream Mach numbers of 3.37, 5.26 and 8.23. It is observed that the Mach 8.23 flow remains laminar downstream of the roughness, while the lower Mach numbers undergo transition. The Mach 3.37 flow undergoes transition closer to the bump when compared with Mach 5.26, in agreement with experimental observations. Transition is accompanied by an increase in Cf and Ch (Stanton number). Even for the case that did not undergo transition (Mach 8.23), streamwise vortices induced by the roughness cause a significant rise in Cf until 20 D downstream. The mean van Driest transformed velocity and Reynolds stress for Mach 3.37 and 5.26 show good agreement with available data. A local Reynolds number based on the wall properties is seen to correlate with the onset of transition for the cases considered. Partially supported by NASA.
Theory of quantum metal to superconductor transitions in highly conducting systems
Spivak, B.
2010-04-06
We derive the theory of the quantum (zero temperature) superconductor to metal transition in disordered materials when the resistance of the normal metal near criticality is small compared to the quantum of resistivity. This can occur most readily in situations in which 'Anderson's theorem' does not apply. We explicitly study the transition in superconductor-metal composites, in an swave superconducting film in the presence of a magnetic field, and in a low temperature disordered d-wave superconductor. Near the point of the transition, the distribution of the superconducting order parameter is highly inhomogeneous. To describe this situation we employ a procedure which is similar to that introduced by Mott for description of the temperature dependence of the variable range hopping conduction. As the system approaches the point of the transition from the metal to the superconductor, the conductivity of the system diverges, and the Wiedemann-Franz law is violated. In the case of d-wave (or other exotic) superconductors we predict the existence of (at least) two sequential transitions as a function of increasing disorder: a d-wave to s-wave, and then an s-wave to metal transition.
Multilevel fast multipole algorithm for elastic wave scattering by large three-dimensional objects
Tong, Mei Song; Chew, Weng Cho
2009-02-01
Multilevel fast multipole algorithm (MLFMA) is developed for solving elastic wave scattering by large three-dimensional (3D) objects. Since the governing set of boundary integral equations (BIE) for the problem includes both compressional and shear waves with different wave numbers in one medium, the double-tree structure for each medium is used in the MLFMA implementation. When both the object and surrounding media are elastic, four wave numbers in total and thus four FMA trees are involved. We employ Nyström method to discretize the BIE and generate the corresponding matrix equation. The MLFMA is used to accelerate the solution process by reducing the complexity of matrix-vector product from O(N2) to O(NlogN) in iterative solvers. The multiple-tree structure differs from the single-tree frame in electromagnetics (EM) and acoustics, and greatly complicates the MLFMA implementation due to the different definitions for well-separated groups in different FMA trees. Our Nyström method has made use of the cancellation of leading terms in the series expansion of integral kernels to handle hyper singularities in near terms. This feature is kept in the MLFMA by seeking the common near patches in different FMA trees and treating the involved near terms synergistically. Due to the high cost of the multiple-tree structure, our numerical examples show that we can only solve the elastic wave scattering problems with 0.3-0.4 millions of unknowns on our Dell Precision 690 workstation using one core.
Magnetic-dipole transitions in highly charged ions as a basis of ultraprecise optical clocks.
Yudin, V I; Taichenachev, A V; Derevianko, A
2014-12-05
We evaluate the feasibility of using magnetic-dipole (M1) transitions in highly charged ions as a basis of an optical atomic clockwork of exceptional accuracy. We consider a range of possibilities, including M1 transitions between clock levels of the same fine-structure and hyperfine-structure manifolds. In highly charged ions these transitions lie in the optical part of the spectra and can be probed with lasers. The most direct advantage of our proposal comes from the low degeneracy of clock levels and the simplicity of atomic structure in combination with negligible quadrupolar shift. We demonstrate that such clocks can have projected fractional accuracies below the 10^{-20}-10^{-21} level for all common systematic effects, such as blackbody radiation, Zeeman, ac-Stark, and quadrupolar shifts.
Johnson, Craig R.; Tsoi, Georgiy M.; Vohra, Yogesh K.
2017-02-01
Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm → dhcp → fcc/dist.fcc → hP3 structure sequence at high-pressures and low-temperatures.
Role of relativity in high-pressure phase transitions of thallium.
Kotmool, Komsilp; Chakraborty, Sudip; Bovornratanaraks, Thiti; Ahuja, Rajeev
2017-02-20
We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar relativistic scheme within PAW formalism. The electronic structure calculations are interpreted from the perspective of energetic stability and electronic density of states. The full relativistic scheme (FR) within L(S)DA performs to be the scheme that resembles mostly with experimental results with a transition pressure of 3 GPa. The s-p hybridization and the valence-core overlapping of 6s and 5d states are the primary reasons behind the f.c.c. phase occurrence. A recent proposed phase, i.e., a body-centered tetragonal (b.c.t.) phase, is confirmed with a small distortion from the f.c.c. phase. We have also predicted a reversible b.c.t. → f.c.c. phase transition at 800 GPa. This finding has been suggested that almost all the III-A elements (Ga, In and Tl) exhibit the b.c.t. → f.c.c. phase transition at extremely high pressure.
High-pressure phase transitions in the rare-earth orthoferrite LaFeO3.
Etter, Martin; Müller, Melanie; Hanfland, Michael; Dinnebier, Robert E
2014-06-01
Sequential Rietveld refinements were applied on high-pressure synchrotron powder X-ray diffraction measurements of lanthanum ferrite (LaFeO3) revealing two phase transitions on the room-temperature isotherm up to a pressure of 48 GPa. The first structural phase transition of second order occurs at a pressure of 21.1 GPa, changing the space group from Pbnm to Ibmm. The second transition, involving a isostructural first-order phase transition, occurs at approximately 38 GPa, indicating a high-spin to low-spin transition of the Fe(3+) ion. Following the behavior of the volume up to the hydrostatic limit of methanol-ethanol it was possible to use inverted equations of state (EoS) to determine a bulk modulus of B0 = 172 GPa and a corresponding pressure derivative of B'0 = 4.3. In addition, the linearized version of the inverted EoS were used to determine the corresponding moduli and pressure derivatives for each lattice direction.
Parker, James D. A.; Duffy, Jon M.; Wood, Laura M.; Bond, Barbara J.; Hogan, Marjorie J.
2005-01-01
This study examined the impact of emotional intelligence (EI) on the successful transition from high school to university. The short form of the Emotional Quotient Inventory (EQ-i) was completed by 1,426 first-year students attending four different universities within the first week of classes (September). At the end of the academic year (May),…
High-precision photometry by telescope defocusing - I. The transiting planetary system WASP-5
Southworth, J.; Hinse, T. C.; Jørgensen, U. G.;
2009-01-01
We present high-precision photometry of two transit events of the extrasolar planetary system WASP-5, obtained with the Danish 1.54-m telescope at European Southern Obseratory La Silla. In order to minimize both random and flat-fielding errors, we defocused the telescope so its point spread...
Managing the Transition to Ninth Grade in a Comprehensive Urban High School. Snapshot
Smith, Thomas J.
2007-01-01
This "snapshot" illustrates how one school is managing to make a positive difference for ninth graders. It describes the Ninth Grade Success Academy, a school-within-a-school at Thomas A. Edison High School in Philadelphia, Pennsylvania, which has a number of features specifically designed to help ninth-graders make successful transitions. A list…
Assessment of Food Safety Knowledge of High School and Transition Teachers of Special Needs Students
Pivarnik, Lori F.; Patnoad, Martha S.; Richard, Nicole Leydon; Gable, Robert K.; Hirsch, Diane Wright; Madaus, Joseph; Scarpati, Stan; Carbone, Elena
2009-01-01
Adolescents with disabilities require access to general education and life skills instruction. Knowledge of food safety for this audience is important for health and valuable for work placement. The objective was to implement a survey to assess high school and transition special education teachers in RI, CT, and MA for food safety knowledge and…
Supporting LGBTQ Students in High School for the College Transition: The Role of School Counselors
Jackson, Ken
2017-01-01
This phenomenological study sought to understand how lesbian, gay, bisexual, transgender, and queer (LGBTQ) college students described their high school experiences and their later transitions to college. The study data revealed five findings: (a) enduring unsupportive/hostile educational environments, (b) experiencing a lack of family and social…
Experiences of Adolescents with Type 1 Diabetes as They Transition from Middle School to High School
Fleischman, Katie; Smothers, Melissa K.; Christianson, Heidi F.; Carter, Laura; Hains, Anthony A.; Davies, W. Hobart
2011-01-01
The purpose of this study was to explore the experiences of adolescents with Type 1 Diabetes Mellitus (T1DM) as they transitioned into high school in order to understand the contextual factors that impact diabetic health-related behaviors and self-identity. A qualitative interviewing methodology called consensual qualitative research (CQR) was…
Childhood trauma and clinical outcome in patients at ultra-high risk of transition to psychosis
Kraan, Tamar; van Dam, Daniella S.; Velthorst, Eva; de Ruigh, Esther L.; Nieman, Dorien H.; Durston, Sarah; Schothorst, Patricia; van der Gaag, Mark; de Haan, Lieuwe
2015-01-01
Background: Although transition rates in 'ultra-high risk' (UHR) for psychosis samples are declining,many young individuals at UHR still experience attenuated positive symptoms and impaired functioning at follow-up. The present study examined the association between a history of childhood trauma and
Enter, Aernout C.D. van; Fernández, Roberto; Kotecký, Roman
We show that decimation transformations applied to high-q Potts models result in non-Gibbsian measures even for temperatures higher than the transition temperature. We also show that majority transformations applied to the Ising model in a very strong field at low temperatures produce non-Gibbsian
Assessment of Food Safety Knowledge of High School and Transition Teachers of Special Needs Students
Pivarnik, Lori F.; Patnoad, Martha S.; Richard, Nicole Leydon; Gable, Robert K.; Hirsch, Diane Wright; Madaus, Joseph; Scarpati, Stan; Carbone, Elena
2009-01-01
Adolescents with disabilities require access to general education and life skills instruction. Knowledge of food safety for this audience is important for health and valuable for work placement. The objective was to implement a survey to assess high school and transition special education teachers in RI, CT, and MA for food safety knowledge and…
Molecular Dynamical Simulation of Ice Phase Transition: Ice Ih to High-Density Amorphous
DONG Shun-Le; WANG Yan
2005-01-01
@@ We put 5kbar and 12kbar on perfect ice Ih lattice at 77K and 180K. After 30000 simulation steps (in units of 10-15 s), high-density amorphous ice is formed. Four-site simple-pair potential TIP4P is used for molecular interactions and the rigid molecular model is employed. Phase transition processes are fitted by an exponential function, and different phase transition times τ are obtained from O-O radial distribution functions (366 and 359fs for 77K and 180K) and O-O-O angle distribution functions (126 and 116fs for 77K and 180K).
The insulating-to-superconducting transition in europium high-temperature superconducting ceramics
Rosenbaum, R
1997-01-01
Experiment resistivity data on high-temperature superconducting ceramics of fully oxygenated EuBa sub 2 Cu sub 3 sub - sub x Co sub x O sub y show that the insulating-to-superconducting transitions take place at liquid-helium temperature, provided that the cobalt fraction x exceeds 0.3. The resistivity follows a simple power-law dependence rho propor to T sup - sup 1 sup / sup 2 , attributed to electron-electron interactions. A model based upon intrinsic Josephson tunnelling junctions is suggested to explain the transition from insulating to superconducting states. (author)
Reply to Comment on 'On the origin dependence of multipole moments in electromagnetism'
De Visschere, Patrick [UGent, ELIS, Sint-Pietersnieuwstraat 41, B-9000 Gent (Belgium)
2010-12-22
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. We agree that the transformation proposed by Raab and de Lange could still be useful supposing it only affects the phase of the reflected/trasmitted waves. We dispute that the transformation as derived by Raab and de Lange is unique. (reply)
Numerical modeling of the transition from low to high confinement in magnetically confined plasma
Rasmussen, Jens Juul; Nielsen, Anders Henry; Madsen, Jens;
2016-01-01
The transition dynamics from low (L) to high (H) mode confinement in magnetically confined plasmas is investigated using a four-field drift fluid model—HESEL (Hot Edge-Sol-Electrostatic). The model includes profile evolution and is solved in a 2D domain at the out-board mid-plane of a tokamak......–I–H transition with an intermediate I-phase displaying limit-cycle oscillations (LCO). The model recovers the power threshold for the L–H transition, the scaling of the threshold with the density and with the loss-rate in the SOL, indicating a decrease in power threshold when switching from single to double null...
Phase transitions in Group III-V and II-VI semiconductors at high pressure
Yu, S. C.; Liu, C. Y.; Spain, I. L.; Skelton, E. F.
1979-01-01
The structures and transition pressures of Group III-V and II-VI semiconductors and of a pseudobinary system (Ga/x/In/1-x/Sb) have been investigated. Results indicate that GaP, InSb, GaSb, GaAs and possible AlP assume Metallic structures at high pressures; a tetragonal, beta-Sn-like structure is adopted by only InSb and GaSb. The rocksalt phase is preferred in InP, InAs, AlSb, ZnO and ZnS. The model of Van Vechten (1973) gives transition pressures which are in good agreement with measured values, but must be refined to account for the occurrence of the ionic rocksalt structure in some compounds. In addition, discrepancies between the theoretical scaling values for volume changes at the semiconductor-to-metal transitions are observed.
Initial rigid response and softening transition of highly stretchable kirigami sheet materials
Isobe, Midori
2016-01-01
We study, experimentally and theoretically, the mechanical response of sheet materials on which line cracks or cuts are arranged in a simple pattern. Such sheet materials, often called kirigami (the Japanese words, kiri and gami, stand for cut and paper, respectively), demonstrate a unique mechanical response promising for various engineering applications such as stretchable batteries: kirigami sheets possess a mechanical regime in which sheets are highly stretchable and very soft compared with the original sheets without line cracks, by virtue of out-of-plane deformation. However, this regime starts after a transition from an initial stiff regime governed by in-plane deformation. In other words, the softness of the kirigami structure emerges as a result of a transition from the two-dimensional to three-dimensional deformation, i.e., from stretching to bending. We clarify the physical origins of the transition and mechanical regimes, which are revealed to be governed by simple scaling laws. The results could ...
Rare twin linked to high-pressure phase transition in iron
Dougherty, L.M. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)], E-mail: lmdough@lanl.gov; Gray, G.T.; Cerreta, E.K.; McCabe, R.J.; Field, R.D.; Bingert, J.F. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)
2009-05-15
At approximately 13 GPa, body-centered cubic alpha-iron undergoes a fully reversible, pressure-induced phase transition into hexagonal close-packed epsilon-iron. Microstructural evidence of this phase transition has been identified in the fully reverted alpha-iron as a large number of {l_brace}3 3 2{r_brace}<113> twins found primarily as secondary twins within {l_brace}1 1 2{r_brace}<111> primary twins. The {l_brace}3 3 2{r_brace}<113> twins were produced during high-pressure shock-loading of 1018 steel at a peak pressure above the alpha-epsilon phase transition pressure. The twins were identified using electron backscattered diffraction and transmission electron microscopy.
Multiple high-temperature transitions driven by dynamical structures in NaI
Manley, M. E.; Jeffries, J. R.; Lee, H.; Butch, N. P.; Zabalegui, A.; Abernathy, D. L.
2014-06-01
Multiple, consecutive high-temperature transitions in NaI involving dynamical order and/or localization in the energy-momentum spectrum but not in the average crystal structure are revealed by lattice dynamics, x-ray lattice spacing, and heat-capacity measurements. Distinctive energy-momentum patterns and lattice distortions indicate dynamical structures forming within randomly stacked planes, rather than the isolated point-defect-like intrinsic localized modes predicted. Transition entropies are accounted for by vibrational entropy changes, and the transition enthalpies are explained by the strain energy of forming stacking-fault-like planar distortions deduced from x-ray-diffraction peak shifts. The vibrational entropy of the dynamical structures stabilizes surrounding elastic distortions.
Melting and High P-T Transitions of Hydrogen up to 300 GPa.
Zha, Chang-Sheng; Liu, Hanyu; Tse, John S; Hemley, Russell J
2017-08-18
High P-T Raman spectra of hydrogen in the vibron and lattice mode regions were measured up to 300 GPa and 900 K using externally heated diamond anvil cell techniques. A new melting line determined from the disappearance of lattice mode excitations was measured directly for the first time above 140 GPa. The results differ from theoretical predictions and extrapolations from lower pressure melting relations. In addition, discontinuities in Raman frequencies are observed as a function of pressure and temperature indicative of phase transition at these conditions. The appearance of a new Raman feature near 2700 cm^{-1} at ∼300 GPa and 370 K indicates the transformation to a new crystalline phase. Theoretical calculations of the spectrum suggest the new phase is the proposed Cmca-4 metallic phase. The transition pressure is close to that of a recently reported transition observed on dynamic compression.
Quantum topological transition in hyperbolic metamaterials based on high Tc superconductors.
Smolyaninov, Igor I
2014-07-30
Hyperbolic metamaterials are known to exhibit a transition in the topology of the photon iso-frequency surface from a closed ellipsoid to an open hyperboloid, resulting in a considerable increase of the photonic density of states. This topological transition may also be described as a change of metric signature of the effective optical space. Here we demonstrate that high Tc superconductors exhibit hyperbolic metamaterial behavior in the far infrared and THz frequency ranges. In the THz range the hyperbolic behavior occurs only in the normal state, while no propagating photon modes exist in the superconducting state. Thus, a quantum topological transition may be observed for THz photons at zero temperature as a function of the external magnetic field, in which the effective Minkowski spacetime arises in the mixed state of the superconductor at some critical value of the external magnetic field. Nucleation of effective Minkowski spacetime occurs via the formation of quantized Abrikosov vortices.
High-efficiency transition between rectangular waveguide and domino plasmonic waveguide
Liu, Liangliang; Li, Zhuo; Xu, Bingzheng; Gu, Changqing; Chen, Chen; Ning, Pingping; Yan, Jian; Chen, Xingyu
2015-02-01
In this work, we propose an optimized transition structure to realize smooth and high efficiency conversion from the guided wave supported by a conventional rectangular waveguide (CRW) to the domino plasmon polaritons (DPPs) supported by a domino plasmonic waveguide (DPW) and vice versa in the X-band (8.2GHz˜12.4GHz). This transition structure consists of two tapered CRWs connected by a gradient domino array with optimized gradient heights and lateral widths. Experimental results of the S-parameters show excellent agreement with the simulations and the optimization scheme can be readily extended to other bands. Furthermore, a domino plasmonic power divider is implemented to demonstrate the application of the transition structure in the integration of conventional microwave circuits with plasmonic devices.
Model investigation of non-thermal phase transition in high energy collisions
王琴; 李治明; 刘连寿
2000-01-01
The non-thermal phase transition in high energy collisions is studied in detail in the frame-work of random cascade model. The relation between the characteristic parameter γq of phase transition and the rank q of moment is obtained using Monte Carlo simulation, and the existence of two phases in self-similar cascading multiparticle systems is shown. The relation between the critical point qc of phase transition on the fluctuation parameter a is obtained and compared with the experimental results from NA22. The same study is carried out also by analytical calculation under central limit ap-proximation. The range of validity of the central limit approximation is discussed.
Behavior of Quasinormal Modes and high dimension RN-AdS Black Hole phase transition
Chabab, M; Iraoui, S; Masmar, K
2016-01-01
In this work we use the quasinormal frequencies of a massless scalar perturbation to probe the phase transition of the high dimension charged-AdS black hole. The signature of the critical behavior of this black hole solution is detected in the isobaric as well as in isothermal process. This paper is a natural generalization of \\cite{base} to higher dimensional spacetime. More precisely our study shows a clear signal for any dimension $d$ in the isobaric process. As to the isothermal case, we find out that this signature can be affected by other parameters like the pressure and the horizon radius. We conclude that the quasinormal modes can be an efficient tool to investigate the first order phase transition, but fail to disclose the signature of the second order phase transition.
High-pressure elasticity of stishovite and the P42/mnm ⇌ Pnnm phase transition
Carpenter, Michael A.; Hemley, Russell J.; Mao, Ho-Kwang
2000-05-01
A Landau free energy expansion has been developed to describe the elastic constant variations of stishovite (SiO2) associated with the P42/mnm (rutile-type) ⇌ Pnnm (CaCl2-type) phase transition as a function of pressure. The transition appears to display classical second-order character, with an equilibrium transition pressure which is renormalized by coupling of the soft optic mode with spontaneous strain. Lattice parameter data from the literature show that the symmetry breaking strain is large, while the nonsymmetry breaking strains are small. These have been used to constrain the numerical values of the strain/order parameter coupling coefficients, which in turn have been used to constrain values for the Landau coefficients. When substituted into expressions for all the individual elastic constants, taking values for experimental and calculated values of the bare elastic constants from the literature, a clear view of the pattern of elastic constant variations is produced. Variations of P and S wave velocities derived from the calculated elastic constants for a second-order transition show a dip as the transition point is approached from high pressure and from low pressure but do not show a discontinuity. The velocity anomaly provides a signature for the presence of free silica in the lower mantle.
Phase transition of a heavy-fermion superconductor in a high magnetic field: Entanglement analysis
Afzali, R.; Ebrahimian, N.
2013-08-01
When the magnetic field is only acting on the spin of electrons, a transition from a normal to a modulated superconducting state or Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state may occur at low temperatures. A FFLO superconducting state, which accompanies an order parameter that oscillates spatially, may be stabilized by a high applied magnetic field or a molecular field. Quantum multipartite entanglement is a new procedure for investigating quantum phase transitions. In this article, we deal with the phase transition of the FFLO state of CeCoIn5 to a normal state by obtaining quantum multipartite entanglement of the system. For this purpose, using normal and anomalous Green functions and the density matrix, we obtain concurrence, as a measure of bipartite entanglement. Then, the order parameter and the magnetic -field dependence of multipartite entanglement in momentum space is calculated. The phase transition is determined, and the behavior of the system based on order parameter is discussed. Furthermore, the phase transitions of both the Bardeen-Cooper-Schrieffer (BCS) and FFLO states to the normal state are compared.
Molecular-Based Optical Measurement Techniques for Transition and Turbulence in High-Speed Flow
Bathel, Brett F.; Danehy, Paul M.; Cutler, Andrew D.
2013-01-01
High-speed laminar-to-turbulent transition and turbulence affect the control of flight vehicles, the heat transfer rate to a flight vehicle's surface, the material selected to protect such vehicles from high heating loads, the ultimate weight of a flight vehicle due to the presence of thermal protection systems, the efficiency of fuel-air mixing processes in high-speed combustion applications, etc. Gaining a fundamental understanding of the physical mechanisms involved in the transition process will lead to the development of predictive capabilities that can identify transition location and its impact on parameters like surface heating. Currently, there is no general theory that can completely describe the transition-to-turbulence process. However, transition research has led to the identification of the predominant pathways by which this process occurs. For a truly physics-based model of transition to be developed, the individual stages in the paths leading to the onset of fully turbulent flow must be well understood. This requires that each pathway be computationally modeled and experimentally characterized and validated. This may also lead to the discovery of new physical pathways. This document is intended to describe molecular based measurement techniques that have been developed, addressing the needs of the high-speed transition-to-turbulence and high-speed turbulence research fields. In particular, we focus on techniques that have either been used to study high speed transition and turbulence or techniques that show promise for studying these flows. This review is not exhaustive. In addition to the probe-based techniques described in the previous paragraph, several other classes of measurement techniques that are, or could be, used to study high speed transition and turbulence are excluded from this manuscript. For example, surface measurement techniques such as pressure and temperature paint, phosphor thermography, skin friction measurements and
Steiner, M A; Boebinger, G; Kapitulnik, A
2005-03-18
The behavior of some high temperature superconductors (HTSC), such as La(2-x)Sr(x)CuO(4) and Bi(2)Sr(2-x)La(x)CuO(6 + delta), at very high magnetic fields, is similar to that of thin films of amorphous InOx near the magnetic-field-tuned superconductor-insulator transition. Analyzing the InOx data at high fields in terms of persisting local pairing amplitude, we argue by analogy that the local pairing amplitude also persists well into the dissipative state of the HTSCs, the regime commonly denoted as the "normal state" in very high magnetic field experiments.
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.
Hierarchy of Universal Relations for Neutron Stars in Terms of Multipole Moments
Manko, V S
2016-01-01
Recent studies of the analytical and numerical models of neutron stars strongly suggest that their exterior field can be described by only four arbitrary parameters of the 2-soliton solution of Einstein's equations. Assuming that this is the case, we show that there exists an infinite hierarchy of the universal relations for neutron stars in terms of multipole moments that arises as a series of the degeneration conditions for generic soliton solutions. The simplest of these relations yields a correct expression for the mass-hexadecapole moment as a function of the angular momentum, revealing a need for a more precise definition of this and higher multipole moments in the numerical models of neutron stars.
Termination shock thermal processes as a possible source for the CMB low-order multipole anomalies
Sharpe, H N
2009-01-01
We discuss the possibility that the observed low-order multipole features of the cosmic microwave background radiation (CMB) all originate in the termination shock (TS) region of the heliosheath that surrounds the solar system. If the intrinsic CMB spectrum is assumed to be a pure monopole (2.73K) then thermodynamic processes occurring within the plasma region of the TS could imprint the observed power spectrum of the low-order multipoles and their alignment (the so-called "axis of evil") onto this background isotropic CMB. Conditions are outlined for the geometric shape of the TS region. A key requirement of this model is that the TS plasma be characterized as an optically thin graybody with non-LTE perturbations. Data from the ongoing Voyager missions is critical to this study.
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.
Rapid modelling of the redshift-space power spectrum multipoles for a masked density field
Wilson, M. J.; Peacock, J. A.; Taylor, A. N.; de la Torre, S.
2017-01-01
In this work, we reformulate the forward modelling of the redshift-space power spectrum multipole moments for a masked density field, as encountered in galaxy redshift surveys. Exploiting the symmetries of the redshift-space correlation function, we provide a masked-field generalization of the Hankel transform relation between the multipole moments in real and Fourier space. Using this result, we detail how a likelihood analysis requiring computation for a broad range of desired P(k) models may be executed 103-104 times faster than with other common approaches, together with significant gains in spectral resolution. We present a concrete application to the complex angular geometry of the VIMOS Public Extragalactic Redshift Survey PDR-1 release and discuss the validity of this technique for finite-angle surveys.
FRICTIONAL CONTACT MULTIPOLE-BEM AND 3-D ANALYSIS OF SCREWPAIRS
Chen Xiumin; Shen Guangxian; Liu Deyi
2004-01-01
The 3-D traction field in the pressure screw-pair of a 3 500 heavy and medium plate mill press down system is successfully calculated by applying the 3-D frictional contact multipole-BEM and the corresponding program that has been developed. The computing results show the medium diameter orientation is unreliable, especially under the interference of an outer force couple. Under such working conditions, the circumferential traction distribution on the screw teeth is extremely uneven, which is the main reason for the destruction and short life time of screw-pairs. When utilizing the same precision (the relative tolerance is 10×10-5),the mltipole-BEM uses almost the CPU time as used by the FEM,but the needed computer menory size is only one eighieth of that needed by the FEM(10 MB vs.800 MB).The multipole-BEM is well suited for computing large-scale engineering problems.
On the evaluation of molecular dipole moments from multipole refinement of X-ray diffraction data
Abramov, Yu. A.; Volkov, A. V.; Coppens, P.
1999-09-01
Lack of physical constraints in the purely mathematical multipole refinement model can lead to basis set overlap errors in the evaluation of static molecular properties from X-ray diffraction data. For the molecular dipole moment, the error is large for several of the crystals tested in this study: DL-histidine, DL-proline, p-nitroaniline and p-amino- p'-nitrobiphenyl. Two restricted models are tested. In the first, atomic charges are constrained at κ-refinement values, while in the second κ'-values based on multipole refinements of theoretical ab-initio structure factors are used to reduce the flexibility of the model. Both models provide a more localized description of the pseudo atoms compared with an unrestricted refinement, but the κ'-restricted model gives a more consistent representation of the molecular dipole moments and superior agreement with the theoretical deformation density for DL-histidine.
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.
Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond
Svendsen, H.; Overgaard, J.; Busselez, R.;
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...... parameter. This directly exposes a correlation between electron density and thermal parameters even for a light atom such as carbon, and it also underlines that in organic systems proper deconvolution of thermal motion is important for obtaining correct static electron densities....
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...... theoretical predictions. Unlike in optical spectra, multipole surface plasmons are important in electron energy-loss spectra even of ultrasmall metallic nanoparticles....
Burt, E. A.; Taghavi-Larigani, S.; Prestage, J. D.; Tjoelker, R. L.
2009-04-01
We have developed a compensated multi-pole Linear Ion Trap Standard (LITS) that eliminates nearly all frequency sensitivity to residual ion number variations. When operated with 199Hg+, this trapped ion clock has recently demonstrated extremely good stability over a 9-month period. The short-term stability has been measured at 5 × 10-14/τ1/2 and an upper limit on long-term fractional frequency deviations of REFID="9789812838223_0037FN001">
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.
Peak activation of lower limb musculature during high flexion kneeling and transitional movements.
Kingston, David C; Tennant, Liana M; Chong, Helen C; Acker, Stacey M
2016-09-01
Few studies have measured lower limb muscle activation during high knee flexion or investigated the effects of occupational safety footwear. Therefore, our understanding of injury and disease mechanisms, such as knee osteoarthritis, is limited for these high-risk postures. Peak activation was assessed in eight bilateral lower limb muscles for twelve male participants, while shod or barefoot. Transitions between standing and kneeling had peak quadriceps and tibialis anterior (TA) activations above 50% MVC. Static kneeling and simulated tasks performed when kneeling had peak TA activity above 15% MVC but below 10% MVC for remaining muscles. In three cases, peak muscle activity was significantly higher (mean 8.9% MVC) when shod. However, net compressive knee joint forces may not be significantly increased when shod. EMG should be used as a modelling input when estimating joint contact forces for these postures, considering the activation levels in the hamstrings and quadriceps muscles during transitions. Practitioner Summary: Kneeling transitional movements are used in activities of daily living and work but are linked to increased knee osteoarthritis risk. We found peak EMG activity of some lower limb muscles to be over 70% MVC during transitions and minimal influence of wearing safety footwear.
Highly Accurate and Precise Infrared Transition Frequencies of the H_3^+ Cation
Perry, Adam J.; Markus, Charles R.; Hodges, James N.; Kocheril, G. Stephen; McCall, Benjamin J.
2016-06-01
Calculation of ab initio potential energy surfaces for molecules to high accuracy is only manageable for a handful of molecular systems. Among them is the simplest polyatomic molecule, the H_3^+ cation. In order to achieve a high degree of accuracy (transitions of H_3^+ with MHz-level precision, all of which have arisen from low lying rotational levels. Here we present new measurements of rovibrational transitions arising from higher rotational and vibrational levels. These transitions not only allow for probing higher energies on the potential energy surface, but through the use of combination differences, will ultimately lead to prediction of the "forbidden" rotational transitions with MHz-level accuracy. L.G. Diniz, J.R. Mohallem, A. Alijah, M. Pavanello, L. Adamowicz, O.L. Polyansky, J. Tennyson Phys. Rev. A (2013), 88, 032506 O.L. Polyansky, A. Alijah, N.F. Zobov, I.I. Mizus, R.I. Ovsyannikov, J. Tennyson, L. Lodi, T. Szidarovszky, A.G. Császár Phil. Trans. R. Soc. A (2012), 370, 5014 J.N. Hodges, A.J. Perry, P.A. Jenkins II, B.M. Siller, B.J. McCall J. Chem. Phys. (2013), 139, 164201 A.J. Perry, J.N. Hodges, C.R. Markus, G.S. Kocheril, B.J. McCall J. Molec. Spectrosc. (2015), 317, 71-73.
Richard T. Scalettar; Warren E. Pickett
2005-08-02
This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (i) Mott transitions in transition metal oxides, (ii) magnetism in half-metallic compounds, and (iii) large volume-collapse transitions in f-band metals.
A Dialogue of Multipoles: Matched Asymptotic Expansion for Caged Black Holes
Gorbonos, Dan; Gorbonos, Dan; Kol, Barak
2004-01-01
No analytic solution is known to date for a black hole in a compact dimension. We develop an analytic perturbation theory where the small parameter is the size of the black hole relative to the size of the compact dimension. We set up a general procedure for an arbitrary order in the perturbation series based on an asymptotic matched expansion between two coordinate patches: the near horizon zone and the asymptotic zone. The procedure is ordinary perturbation expansion in each zone, where additionally some boundary data comes from the other zone, and so the procedure alternates between the zones. It can be viewed as a dialogue of multipoles where the black hole changes its shape (mass multipoles) in response to the field (multipoles) created by its periodic "mirrors", and that in turn changes its field and so on. We present the leading correction to the full metric including the first correction to the area-temperature relation, the leading term for black hole eccentricity and the "Archimedes effect". The nex...
A Dialogue of Multipoles: Matched Asymptotic Expansion for Caged Black Holes
Gorbonos, Dan; Kol, Barak
2004-06-01
No analytic solution is known to date for a black hole in a compact dimension. We develop an analytic perturbation theory where the small parameter is the size of the black hole relative to the size of the compact dimension. We set up a general procedure for an arbitrary order in the perturbation series based on an asymptotic matched expansion between two coordinate patches: the near horizon zone and the asymptotic zone. The procedure is ordinary perturbation expansion in each zone, where additionally some boundary data comes from the other zone, and so the procedure alternates between the zones. It can be viewed as a dialogue of multipoles where the black hole changes its shape (mass multipoles) in response to the field (multipoles) created by its periodic ``mirrors'', and that in turn changes its field and so on. We present the leading correction to the full metric including the first correction to the area-temperature relation, the leading term for black hole eccentricity and the ``Archimedes effect''. The next order corrections will appear in a sequel. On the way we determine independently the static perturbations of the Schwarzschild black hole in dimension d geq 5, where the system of equations can be reduced to ``a master equation'' — a single ordinary differential equation. The solutions are hypergeometric functions which in some cases reduce to polynomials.
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 ...
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.
Flennaugh, Terry
2017-01-01
The transition from middle school to high school can be difficult for many students due to increases in school size, the structure of an academic schedule, and the complexity of social interactions in high school. However, Black boys face unique challenges during this transition period due to racism and structural inequalities. In response to…
Enhancement of M1 Transition Rates at High Spin in 90Mo
WU Xiao-Guang; YANG Chun-Xiang; LI Guang-Sheng; PENG Zhao-Hua; WEN Shu-Xian; HAN Guang-Bing; LI Cheng-Po; LU Shao-Jun; WU Shao-Yong; YUAN Guan-Jun
2001-01-01
High spin states in 90Mo have been populated through the 59Co (35C1,2p2n) 90Mo reaction at a beam energy of116 Me V. Level lifetimes of the positive-parity decay sequence are measured by using the Doppler shift attenuationmethod. It is observed that the M1 transition strengths show a substantial enhancement at high spin. Thisbehaviour may be related to occupation of high Ω orbitals by a pair of g9/2 protons. A deformed, oblate, shapeis suggested above the 13+ state.
Quantum metallicity on the high-field side of the superconductor-insulator transition.
Baturina, T I; Strunk, C; Baklanov, M R; Satta, A
2007-03-23
We investigate ultrathin superconducting TiN films, which are very close to the localization threshold. Perpendicular magnetic field drives the films from the superconducting to an insulating state, with very high resistance. Further increase of the magnetic field leads to an exponential decay of the resistance towards a finite value. In the limit of low temperatures, the saturation value can be very accurately extrapolated to the universal quantum resistance h/e2. Our analysis suggests that at high magnetic fields a new ground state, distinct from the normal metallic state occurring above the superconducting transition temperature, is formed. A comparison with other studies on different materials indicates that the quantum metallic phase following the magnetic-field-induced insulating phase is a generic property of systems close to the disorder-driven superconductor-insulator transition.
Laser spectroscopy on forbidden transitions in trapped highly charged Ar(13+) ions.
Mäckel, V; Klawitter, R; Brenner, G; Crespo López-Urrutia, J R; Ullrich, J
2011-09-30
We demonstrate resonant fluorescence laser spectroscopy in highly charged ions (HCI) stored in an electron beam ion trap by investigating the dipole-forbidden 1s(2)2s(2)2p (2)P(3/2)-(2)P(1/2) transition in boronlike Ar(13+) ions. Forced evaporative cooling yielded a high resolving power, resulting in an accurate wavelength determination to λ=441.255 68(26) nm. By applying stronger cooling and two-photon excitation, new optical frequency standards based upon ultrastable transitions in such HCI could be realized in the future, e.g., for the search of time variations of the fine-structure constant.
Bordin, José Rafael, E-mail: josebordin@unipampa.edu.br [Campus Caçapava do Sul, Universidade Federal do Pampa, Caixa Postal 15051, CEP 96570-000, Caçapava do Sul, RS (Brazil); Krott, Leandro B., E-mail: leandro.krott@ufrgs.br; Barbosa, Marcia C., E-mail: marcia.barbosa@ufrgs.br [Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970, Porto Alegre, RS (Brazil)
2014-10-14
The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a core-softened potential with two characteristic length scales, which in bulk reproduces the dynamical, thermodynamical, and structural anomalous behavior observed for water and other anomalous fluids. Our findings show that this system has a superdiffusion regime for sufficient high pressure and low temperature. As well, our results indicate that this superdiffusive regime is strongly related with the fluid structural properties and the superdiffusion to diffusion transition is a first order phase transition. We show how the simulation time and statistics are important to obtain the correct dynamical behavior of the confined fluid. Our results are discussed on the basis of the two length scales.
Masafumi Noda
2011-01-01
Full Text Available Magnesium alloys can be used for reducing the weight of various structural products, because of their high specific strength. They have attracted considerable attention as materials with a reduced environmental load, since they help to save both resources and energy. In order to use Mg alloys for manufacturing vehicles, it is important to investigate the deformation mechanism and transition point for optimizing the material and vehicle design. In this study, we investigated the transition of the deformation mechanism during the high-temperature uniaxial tensile deformation of the AZ31 Mg alloy. At a test temperature of 523 K and an initial strain rate of 3×10−3 s-1, the AZ31 Mg alloy (mean grain size: ~5 μm exhibited stable deformation behavior and the deformation mechanism changed to one dominated by grain boundary sliding.
On field effect studies and superconductor-insulator transition in high-Tc cuprates
Dubuis, G.; Bollinger, A. T.; Pavuna, D.; Božović, I.
2013-07-01
We summarize previous field effect studies in high- T c cuprates and then discuss our method to smoothly tune the carrier concentration of a cuprate film over a wide range using an applied electric field. We synthesized epitaxial one-unit-cell thick films of La2- x Sr x CuO4 and from them fabricated electric double layer transistor devices utilizing various gate electrolytes. We were able to vary the carrier density by about 0.08 carriers per Cu atom, with the resulting change in T c of 30 K. The superconductor-insulator transition occurred at the critical resistance very close to the quantum resistance for pairs, R Q = h/(2 e)2 = 6.5 kΩ. This is suggestive of a quantum phase transition, possibly driven by quantum phase fluctuations, between a "Bose insulator" and a high- T c superconductor state.
High pressure phase transition and variation of elastic constants of diluted magnetic semiconductors
Varshney, Dinesh; Sharma, P.; Kaurav, N. [School of Physics, Vigyan Bhawan, Devi Ahilya University, Takshila Campus, Indore 452017 (India); Shah, S. [Department of Physics, P. M. B. Gujarati Science College, Indore-452001 (India); Singh, R.K. [M. P. Bhoj (Open) University, Shivaji Nagar, Bhopal-462016 (India)
2004-11-01
A theoretical study of the high-pressure phase transition and elastic behavior in diluted magnetic semiconductors Zn{sub 0.83}Mn{sub 0.17}Se, using a three-body interaction (TBI) potential caused by the electron-shell deformation of the overlapping ions is carried out. The estimated values of phase transition pressure and the vast volume discontinuity in pressure-volume (PV) phase diagram indicate the structural phase transition from zincblende (B3) to rock salt (B1). The variation of second-order elastic constants with pressure resembles that observed in some binary semiconductors. The inconsistency in the deduced value of pressure derivative of second order elastic constant with the available data is attributed to the fact that we derive expressions neglecting thermal effects and assuming the overlap repulsion significant only up to nearest neighbors. The vdW interaction is effective in obtaining the thermodynamical parameters such as Debye temperature, Gruneisen parameter, thermal expansion coefficient, compressibility as well phase stability in diluted magnetic semiconductors. It is revealed that TBI model has a promise to predict the phase transition pressure and the pressure variation of elastic constants of other semiconductors as well. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
High-Speed Imaging Analysis of Register Transitions in Classically and Jazz-Trained Male Voices.
Dippold, Sebastian; Voigt, Daniel; Richter, Bernhard; Echternach, Matthias
2015-01-01
Little data are available concerning register functions in different styles of singing such as classically or jazz-trained voices. Differences between registers seem to be much more audible in jazz singing than classical singing, and so we hypothesized that classically trained singers exhibit a smoother register transition, stemming from more regular vocal fold oscillation patterns. High-speed digital imaging (HSDI) was used for 19 male singers (10 jazz-trained singers, 9 classically trained) who performed a glissando from modal to falsetto register across the register transition. Vocal fold oscillation patterns were analyzed in terms of different parameters of regularity such as relative average perturbation (RAP), correlation dimension (D2) and shimmer. HSDI observations showed more regular vocal fold oscillation patterns during the register transition for the classically trained singers. Additionally, the RAP and D2 values were generally lower and more consistent for the classically trained singers compared to the jazz singers. However, intergroup comparisons showed no statistically significant differences. Some of our results may support the hypothesis that classically trained singers exhibit a smoother register transition from modal to falsetto register. © 2015 S. Karger AG, Basel.
Structures and phase transitions of ScH3 under high pressure
Kong Bo; Zhou Zhu-Wen; Chen De-Liang; Ling-hu Rong-Feng
2013-01-01
The structures and the phase transitions of ScH3 under high pressure are investigated using first-principles calculations.The calculated structural parameters at zero pressure agree well with the available experimental data.With increasing pressure,the transition sequence hcp (GdH3-type)→ C2/m →fcc→hcp (YH3-type)→Cmcm of ScH3 is predicted first; the corresponding transition pressures at 0 K are 23 GPa,25 GPa,348 GPa,and 477 GPa,respectively.The C2/m symmetry structure is a possible candidate but not a good one as the intermediate state from hexagonal to cubic in ScH3.On the other hand,via the analysis of the structures of hexagonal ScH2.9,cubic ScH3,and cubic ScH2,we find that the repulsive interactions of H-H atoms must play an important role in the transition from hexagonal to cubic.
Two-electron and one-photon transitions in highly charged nickel-like ions
Xie Lu-You; Dong Chen-Zhong; Jiang Jun; Wan Jian-Jie; Yan Jun
2008-01-01
This paper calculates the transition wavelengths and probabilities of the two-electron and one-photon(TEOP) transition from the(38-11/24dj)J:1,2 to(3p-13/24s1/2)J=1 and the(3p-11/2481/2)J=1 to(3d-1j4dj1)J=1,2 for highly charged Ni-like ions with atomic number Z in the range 47≤Z≤92.In the calculations,the multi-configuration Dirac-Fock method and corresponding program packages GRASP92 and REOS99 were used,and the relativistic effects,correlation effects and relaxation effects were considered systematically.It is found that the TEOP transitions are very sensitive to the correlation of electrons,and the probabilities will be enhanced sharply in some special Z regions along the isoelectronic sequence.The present TEOP transition wavelengths are compared with the available data from some previous publications,good agreement is obtained.
Ranjan, V; Nardelli, Marco Buongiorno; Bernholc, J
2012-02-24
Using first-principles simulations, we identify the microscopic origin of the nonlinear dielectric response and high energy density of polyvinylidene-fluoride-based polymers as a cooperative transition path that connects nonpolar and polar phases of the system. This path explores a complex torsional and rotational manifold and is thermodynamically and kinetically accessible at relatively low temperatures. Furthermore, the introduction of suitable copolymers significantly alters the energy barriers between phases providing tunability of both the energy density and the critical fields.
Dimitrovski, Darko; Madsen, Lars Bojer; Pedersen, Thomas Garm
2017-01-01
We consider the interaction of gapped graphene in the two-band approximation using an explicit time-dependent approach. In addition to the full high-order harmonic generation (HHG) spectrum, we also obtain the perturbative harmonic response using the time-dependent method at photon energies covering all the significant features in the responses. The transition from the perturbative to the fully nonperturbative regime of HHG at these photon energies is studied in detail.
Operation of the ATLAS Transition Radiation Tracker under very high irradiation at the CERN LHC
Åkesson, T; Baker, K; Baron, S; Benjamin, D; Bertelsen, H; Bondarenko, V; Bychkov, V; Callahan, J; Capéans-Garrido, M; Cardiel-Sas, L; Catinaccio, A; Cetin, S A; Cwetanski, Peter; Dam, M; Danielsson, H; Dittus, F; Dolgoshein, B A; Dressnandt, N; Driouichi, C; Ebenstein, W L; Eerola, Paule Anna Mari; Farthouat, Philippe; Fedin, O; Froidevaux, D; Gagnon, P; Grichkevitch, Y; Grigalashvili, N S; Hajduk, Z; Hansen, P; Kayumov, F; Keener, P T; Kekelidze, G D; Khristatchev, A; Konovalov, S; Koudine, L; Kovalenko, S; Kowalski, T; Kramarenko, V A; Krüger, K; Laritchev, A; Lichard, P; Luehring, F C; Lundberg, B; Maleev, V; McFarlane, K W; Mialkovski, V; Mindur, B; Mitsou, V A; Morozov, S; Munar, A; Muraviev, S; Nadtochy, A; Newcomer, F M; Ögren, H O; Oleshko, S; Olszowska, J; Passmore, S; Patritchev, S; Peshekhonov, V D; Petti, R; Price, M; Rembser, C; Rohne, O; Romaniouk, A; Rust, D R; Ryabov, Yu; Shchegelskii, V; Seliverstov, D M; Shin, T; Shmeleva, A; Smirnov, S; Sosnovtsev, V V; Soutchkov, V; Spiridenkov, E; Tikhomirov, V; Van Berg, R; Vassilakopoulos, V I; Vassilieva, L; Wang, C; Williams, H H; Zalite, A
2004-01-01
The ATLAS Transition Radiation Tracker (TRT) performance depends critically on the choice of the active gas and on its properties. The most important operational aspects, which have led to the final choice of the active gas for the operation of the TRT at the LHC design luminosity, are presented. The TRT performance expected at these conditions is reviewed, including pile-up effects at high luminosity. (9 refs).
Laboratory measurements of K-shell transitions in highly charged iron ions
Steinbrügge, René; Rudolph, Jan K.; Bernitt, Sven; Crespo López-Urrutia, José R.
2016-09-01
The x-ray spectra of celestial sources show a plethora of features originating from highly charged ions. These can be used to determine the flow, temperatures, and abundances of elements in the star, which are needed to benchmark-stellar evolution models. However, the underlying atomic transition data of the ions are often only known by theoretical calculations, thus testing them in laboratory measurements is crucial. We present our measurements of energies, natural linewidths, radiative and Auger decay rates for K-shell transitions in He-like to F-like iron ions. In this experiments, an electron beam ion trap was used to create a target of highly charged ions, which were resonantly excited by monochromatic light from the PETRA III synchrotron radiation source. Fluorescence was observed while simultaneously detecting photoionization by the change in the ionic charge state. This method, combined with the high resolution of the monochromator used, yields uncertainties on the ppm-level for the excitation energies and below 10% for the linewidths and transition rates, thus providing a valuable benchmark for atomic theory.
High-temperature and high-pressure phase transitions in uranium
Bouchet, J.; Bottin, F.
2017-02-01
The phase diagram of uranium has been explored up to 100 GPa and 2000 K by means of ab initio molecular dynamics (AIMD) simulations. The lattice dynamics and energetics of the stable phases observed experimentally in this range of pressure and temperature are studied in this work. The phonon spectra of the α and γ phases are shown to evolve strongly as a function of temperature, unveiling the huge anharmonic effects present in this material. If the elastics constants and the bulk and shear moduli of the γ phase do not disclose any temperature effects, the shear modulus of the α phase decreases strongly as a function of temperature. Using the pressure- and temperature-dependent vibrational density of states and the Gibbs free energy of these two structures, we found a line transition between the α and γ phases which slightly underestimates the experimental one. Coherently with experiments, the bct structure is never found stable between 0 and 100 GPa.
Osinga, V. P.; van Gisbergen, S. J. A.; Snijders, J. G.; Baerends, E. J.
1997-03-01
The generalized gradient-approximated (GGA) energy functionals used in density functional theory (DFT) provide accurate results for many different properties. However, one of their weaknesses lies in the fact that Van der Waals forces are not described. In spite of this, it is possible to obtain reliable long-range potential energy surfaces within DFT. In this paper, we use time-dependent density functional response theory to obtain the Van der Waals dispersion coefficients C6, C7, and C8 (both isotropic and anisotropic). They are calculated from the multipole polarizabilities at imaginary frequencies of the two interacting molecules. Alternatively, one might use one of the recently-proposed Van der Waals energy functionals for well-separated systems, which provide fairly good approximations to our isotropic results. Results with the local density approximation (LDA), Becke-Perdew (BP) GGA and the Van Leeuwen-Baerends (LB94) exchange-correlation potentials are presented for the multipole polarizabilities and the dispersion coefficients of several rare gases, diatomics and the water molecule. The LB94 potential clearly performs best, due to its correct Coulombic asymptotic behavior, yielding results which are close to those obtained with many-body perturbation theory (MBPT). The LDA and BP results are systematically too high for the isotropic properties. This becomes progressively worse for the higher dispersion coefficients. The results for the relative anisotropies are quite satisfactory for all three potentials, however.
Charge Changing Experiments and Multipole Expansions of Electron Loss to the Continuum.
Atan, H.
Available from UMI in association with The British Library. Charge changing processes involving single electron loss for 0.6-2.2 MeV _sp{2}{4 }He^{+} ions and 2.0-3.0 MeV _sp{2}{3 }He^{+} ions, and single electron capture for 0.6-2.2 MeV _sp {2}{4}He^{+ } ions colliding with He, Ne and Ar have bee studied. The gas target was in the form of a gas beam jet, well localised and directed, obtained using a multicapillary array system. The measured absolute cross sections for single electron loss sigma_{12 }, were in good agreement with most other experimental data. These results were also compared with the theoretical quantal, semi-classical and classical calculations. For a He target, quantal Born approximation calculations gave good agreement especially towards the high energy region but not for an Ar target. The semi-classical calculations gave good agreement for all three target systems, in terms of the magnitude, velocity dependence as well the Z _{t}, dependence. The classical calculations gave not only a good estimate of the cross -sections but also predicted the velocity dependence quite accurately. The measured absolute cross sections for single electron capture sigma_{10} agreed well with most other experimental data and with the classical binary encounter calculations. Electron loss to the continuum (ELC) for 1.4-2.8 MeV He^{+} colliding with He, Ne and Ar have also been studied using a second-order focussing, 30^circ parallel plate spectrometer. The analysis was performed using a specially developed multipole expansion method, allowing an extraction of the parameters in an apparatus independent manner. The first order anisotropy parameter beta_1, was found to exhibit a systematic target dependence, with negative values for Ne and Ar targets, indicating an asymmetric cusp with an enhanced intensity of electrons at velocities lower than that of the ions. Such cusp shape was not predicted by any existing first-order theory. The second-order anisotropy parameter
Hirano, Y; Kiyama, S; Fujiwara, Y; Koguchi, H; Sakakita, H
2015-11-01
A high current density (≈3 mA/cm(2)) hydrogen ion beam source operating in an extremely low-energy region (E(ib) ≈ 150-200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E(ib) is being reduced. The radial profiles of the ion beam current density and the low temperature ion current density can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.
Phase transitions of boron carbide: Pair interaction model of high carbon limit
Yao, Sanxi; Huhn, W. P.; Widom, M.
2015-09-01
Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R 3 bar m), the enthalpy minimizing structure has lower, monoclinic, symmetry (space group Cm). The crystallographic primitive cell consists of a 12-atom icosahedron placed at the vertex of a rhombohedral lattice, together with a 3-atom chain along the 3-fold axis. In the limit of high carbon content, approaching 20% carbon, the icosahedra are usually of type B11 Cp, where the p indicates the carbon resides on a polar site, while the chains are of type C-B-C. We establish an atomic interaction model for this composition limit, fit to density functional theory total energies, that allows us to investigate the substitutional disorder using Monte Carlo simulations augmented by multiple histogram analysis. We find that the low temperature monoclinic Cm structure disorders through a pair of phase transitions, first via a 3-state Potts-like transition to space group R3m, then via an Ising-like transition to the experimentally observed R 3 bar m symmetry. The R3m and Cm phases are electrically polarized, while the high temperature R 3 bar m phase is nonpolar.
RESEARCH ON SCHEME OF HIGH-SPEED ROTOR／WING TRANSITION HELICOPTER RD15
WANGHuan-jin; GAOZheng
2004-01-01
To analyze the existing schemes of high-speed rotorcrafts and some new technologies, a new conceptual sketch of the high-speed rotor/wing transition helicopter RD15 is proposed. The overall layout of the RD15 is given out and the transition process from the helicopter mode to the airplane mode is designed. The lift system consists of a circular disk-wing with four retractable blades. The technology of individual blade control is adopted for flight control in hover and low speed flight. The tail is a vectored thrust duct propeller. It can provide the anti-torque in hover, and offer the multi-directional controls and propulsion drive for the airplane mode flight. The aerodynamic characteristics and key technologies in the transition process for this layout, including the nose up angle of disk-wing, the length of the blade, rotation speed, pitch angle and other parameters, are theoretically ana lyzed and experimentally tested. Calculation and experiments show that the shift process of the lift, the power and controls are smooth, and the designed scheme is feasible.
Greczynski, G.; Mráz, S.; Hultman, L.; Schneider, J. M.
2016-11-01
Carbide signatures are ubiquitous in the surface analyses of industrially sputter-deposited transition metal nitride thin films grown with carbon-less source materials in typical high-vacuum systems. We use high-energy-resolution photoelectron spectroscopy to reveal details of carbon temporal chemical state evolution, from carbide formed during film growth to adventitious carbon adsorbed upon contact with air. Using in-situ grown Al capping layers that protect the as-deposited transition metal nitride surfaces from oxidation, it is shown that the carbide forms during film growth rather than as a result of post deposition atmosphere exposure. The XPS signature of carbides is masked by the presence of adventitious carbon contamination, appearing as soon as samples are exposed to atmosphere, and eventually disappears after one week-long storage in lab atmosphere. The concentration of carbon assigned to carbide species varies from 0.28 at% for ZrN sample, to 0.25 and 0.11 at% for TiN and HfN, respectively. These findings are relevant for numerous applications, as unintentionally formed impurity phases may dramatically alter catalytic activity, charge transport and mechanical properties by offsetting the onset of thermally-induced phase transitions. Therefore, the chemical state of C impurities in PVD-grown films should be carefully investigated.
High transition frequencies of dynamic functional connectivity states in the creative brain
Li, Junchao; Zhang, Delong; Liang, Aiying; Liang, Bishan; Wang, Zengjian; Cai, Yuxuan; Gao, Mengxia; Gao, Zhenni; Chang, Song; Jiao, Bingqing; Huang, Ruiwang; Liu, Ming
2017-01-01
Creativity is thought to require the flexible reconfiguration of multiple brain regions that interact in transient and complex communication patterns. In contrast to prior emphases on searching for specific regions or networks associated with creative performance, we focused on exploring the association between the reconfiguration of dynamic functional connectivity states and creative ability. We hypothesized that a high frequency of dynamic functional connectivity state transitions will be associated with creative ability. To test this hypothesis, we recruited a high-creative group (HCG) and a low-creative group (LCG) of participants and collected resting-state fMRI (R-fMRI) data and Torrance Tests of Creative Thinking (TTCT) scores from each participant. By combining an independent component analysis with a dynamic network analysis approach, we discovered the HCG had more frequent transitions between dynamic functional connectivity (dFC) states than the LCG. Moreover, a confirmatory analysis using multiplication of temporal derivatives also indicated that there were more frequent dFC state transitions in the HCG. Taken together, these results provided empirical evidence for a linkage between the flexible reconfiguration of dynamic functional connectivity states and creative ability. These findings have the potential to provide new insights into the neural basis of creativity. PMID:28383052
High transition frequencies of dynamic functional connectivity states in the creative brain.
Li, Junchao; Zhang, Delong; Liang, Aiying; Liang, Bishan; Wang, Zengjian; Cai, Yuxuan; Gao, Mengxia; Gao, Zhenni; Chang, Song; Jiao, Bingqing; Huang, Ruiwang; Liu, Ming
2017-04-06
Creativity is thought to require the flexible reconfiguration of multiple brain regions that interact in transient and complex communication patterns. In contrast to prior emphases on searching for specific regions or networks associated with creative performance, we focused on exploring the association between the reconfiguration of dynamic functional connectivity states and creative ability. We hypothesized that a high frequency of dynamic functional connectivity state transitions will be associated with creative ability. To test this hypothesis, we recruited a high-creative group (HCG) and a low-creative group (LCG) of participants and collected resting-state fMRI (R-fMRI) data and Torrance Tests of Creative Thinking (TTCT) scores from each participant. By combining an independent component analysis with a dynamic network analysis approach, we discovered the HCG had more frequent transitions between dynamic functional connectivity (dFC) states than the LCG. Moreover, a confirmatory analysis using multiplication of temporal derivatives also indicated that there were more frequent dFC state transitions in the HCG. Taken together, these results provided empirical evidence for a linkage between the flexible reconfiguration of dynamic functional connectivity states and creative ability. These findings have the potential to provide new insights into the neural basis of creativity.
A new high-pressure phase transition in natural Fe-bearing orthoenstatite
Zhang, Jin S.; Dera, Przemyslaw; Bass, Jay D. (UC); (UIUC)
2016-07-29
Single-crystal X-ray structure refinements have been carried out on natural Fe-bearing orthoenstatite (OEN) at pressures up to 14.53 GPa. We report a new high-pressure phase transition from OEN to a monoclinic phase (HPCEN2) with space group P2{sub 1}/c, with a density change of {approx}1.9(3)%. The HPCEN2 phase is crystallographically different from low-pressure clinoenstatite (LPCEN), which also has P2{sub 1}/c symmetry. Upon release of pressure HPCEN2 reverts to OEN, and the transition pressure is bracketed between 9.96 and 14.26 GPa at room temperature. We find no evidence for a C2/c phase at high pressure. The lattice constants for the new phase at 14.26 GPa are a = 17.87(2), b = 8.526(9), c = 4.9485(10) {angstrom}, {beta} = 92.88(4){sup o} [{rho} = 3.658(9) g/cm{sup 3}]. Refinement of the new structure indicates rotation of tetrahedral chain as the key characteristic of this transition. This experiment points to the possibility of OEN and HPCEN2 as the stable phases in Earth's upper mantle.
Balakirev, Fedor F [Los Alamos National Laboratory; Migliori, A [MPA-NHMFL; Riggs, S [NHMFL-FSU; Hunte, F [NHMFL-FSU; Gurevich, A [NHMFL-FSU; Larbalestier, D [NHMFL-FSU; Boebinger, G [NHMFL-FSU; Jaroszynski, J [NHMFL-FSU; Ren, Z [CHINA; Lu, W [CHINA; Yang, J [CHINA; Shen, X [CHINA; Dong, X [CHINA; Zhao, Z [CHINA; Jin, R [ORNL; Sefat, A [ORNL; Mcguire, M [ORNL; Sales, B [ORNL; Christen, D [ORNL; Mandrus, D [ORNL
2008-01-01
We compare magnetotransport of the three iron-arsenide-based compounds ReFeAsO (Re=La, Sm, Nd) in very high DC and pulsed magnetic fields up to 45 and 54 T, respectively. Each sample studied exhibits a superconducting transition temperature near the maximum reported to date for that particular compound. While high magnetic fields do not suppress the superconducting state appreciably, the resistivity, Hall coefficient, and critical magnetic fields, taken together, suggest that the phenomenology and superconducting parameters of the oxypnictide superconductors bridges the gap between MgB{sub 2} and YBCO.
Sirena, M.; Félix, L. Avilés; Haberkorn, N.
2013-07-01
High transition temperature superconductor (HTc)/SrTiO3 (STO) bilayers were fabricated by sputtering deposition on (100) STO substrates. Their transport and morphological properties were characterized using conductive atomic force microscopy. The STO barriers present good insulating properties, with long attenuation lengths (λ ˜ 1 nm) which reduce the junction resistance and increase the operating critical current. The samples present roughness values smaller than 1 nm, with an extremely low density of surface defects (˜5 × 10-5 defects/μm2). The high control of the barrier quality over large defect free surfaces is encouraging for the development of microelectronics devices based in HTc Josephson junctions.
Crossover of high and low spin states in transition metal complexes
Raebiger, Hannes; Yasuhara, Hiroshi
2012-01-01
The stability of high vs. low spin states of transition metal complexes has been interpreted by ligand field theory, which is a perturbation theory of the electron-electron interaction. The present first principles calculation of a series of five cobalt complexes shows that the electron-electron interaction energy difference between the two states (i) exhibits the opposite trend to the total energy difference as the ligand nuclear charge varies, and (ii) is three or four orders of magnitude greater than the total energy difference. A new interpretation of the crossover of high and low spin states is given in terms of the chemical bonding.
Structural Transition of Gd2O3:Eu Induced by High Pressure
CHEN Hai-Yong; ZOU Guang-Tian; HE Chun-Yuan; GAO Chun-Xiao; ZHANG Jia-Hua; GAO Shi-Yong; LU Hong-Liang; NIE Yan-Guang; LI Dong-Mei; KAN Shi-Hai
2007-01-01
@@ The structural transition of bulk and nano-size Gd2O3:Eu are studied by high pressure energy disperse x-ray diffraction (XRD) and high pressure photoluminescence. Our results show that in spite of different size of Gd2O3 particles, the cubic structure turns into a possible hexagonal one above 13.4 GPa. When the pressure is released,the sample reverses to the monoclinic structure. No cubic structure presents in the released samples. That is to say, the compression and relaxation of the sample leads to the cubic Gd2O3:Eu then turns into the monoclinic one.
Turbulence at the transition to the high density H-mode in Wendelstein 7-AS plasmas
Basse, N.P.; Zoletnik, S.; Baumel, S.
2003-01-01
Recently a new improved confinement regime was found in the Wendelstein 7-AS (W7-AS) stellarator (Renner H. et al 1989 Plasma Phys. Control. Fusion 31 1579). The discovery of this high density high confinement mode (HDH-mode) was facilitated by the installation of divertor modules. In this paper...... of the fluctuation level associated with the transition from NC- to HDH-mode. Correlation calculations on a 20 mus timescale between magnetic and density fluctuations lead to the result that the fluctuations are correlated in NC- but not in HDH-mode. Finally, a comparative analysis between the enhanced D-alpha H...
Structure transition of multiferroic hexagonal TmMnO3 compound under high pressure
Wang, L. J.; Feng, S. M.; Zhu, J. L.; Liu, Q. Q.; Li, Y. C.; Li, X. D.; Liu, J.; Jin, C. Q.
2010-06-01
The high-pressure-induced structure transition in multiferroic hexagonal TmMnO3 (h-TmMnO3) has been investigated using an in situ angle-dispersive synchrotron X-ray diffraction technique in a diamond anvil cell. The experimental results show that the phase transition from ambient hexagonal to orthorhombic structure with space group Pbnm begins around 10.2 GPa. The Rietveld refinement method was used to determine the lattice parameters and lattice compressibility of the h-TmMnO3 compound from 0.8 to 28.6 GPa. The pressure evolution of average bond distances and bond angles between the Mn and O atoms in the ab-plane was obtained. The magnetic properties under different pressures as well as their effect on multiferroic properties are discussed using extrapolations from the empirical relation of magnetic order versus rare-earth ionic radius.
A compact ultranarrow high-power laser system for experiments with 578 nm ytterbium clock transition
Cappellini, G., E-mail: cappellini@lens.unifi.it [LENS European Laboratory for Nonlinear Spectroscopy, 50019 Sesto Fiorentino (Italy); Lombardi, P. [Department of Physics and Astronomy, University of Florence, 50019 Sesto Fiorentino (Italy); INO-CNR Istituto Nazionale di Ottica del CNR, Sezione di Sesto Fiorentino, 50019 Sesto Fiorentino (Italy); Mancini, M.; Pagano, G. [Department of Physics and Astronomy, University of Florence, 50019 Sesto Fiorentino (Italy); Pizzocaro, M. [INRIM Istituto Nazionale di Ricerca Metrologica, Torino 10135 (Italy); Fallani, L. [LENS European Laboratory for Nonlinear Spectroscopy, 50019 Sesto Fiorentino (Italy); Department of Physics and Astronomy, University of Florence, 50019 Sesto Fiorentino (Italy); Catani, J. [LENS European Laboratory for Nonlinear Spectroscopy, 50019 Sesto Fiorentino (Italy); INO-CNR Istituto Nazionale di Ottica del CNR, Sezione di Sesto Fiorentino, 50019 Sesto Fiorentino (Italy)
2015-07-15
In this paper, we present the realization of a compact, high-power laser system able to excite the ytterbium clock transition at 578 nm. Starting from an external-cavity laser based on a quantum dot chip at 1156 nm with an intra-cavity electro-optic modulator, we were able to obtain up to 60 mW of visible light at 578 nm via frequency doubling. The laser is locked with a 500 kHz bandwidth to an ultra-low-expansion glass cavity stabilized at its zero coefficient of thermal expansion temperature through an original thermal insulation and correction system. This laser allowed the observation of the clock transition in fermionic {sup 173}Y b with a <50 Hz linewidth over 5 min, limited only by a residual frequency drift of some 0.1 Hz/s.
Structural stability and phase transition of Bi 2 Te 3 under high pressure and low temperature
Zhang, J. L.; Zhang, S. J.; Zhu, J. L.; Liu, Q. Q.; Wang, X. C.; Jin, C. Q.; Yu, J. C.
2017-09-01
Structural stability and phase transition of topological insulator Bi2Te3 were studied via angle-dispersive synchrotron radiation X-ray diffraction under high pressure and low temperature condition. The results manifest that the R-3m phase (phase I) is stable at 8 K over the pressure range up to 10 GPa and phase transition occurs between 8 K and 45 K at 8 GPa. According to the Birch-Murnaghan equation of state, the bulk modulus at ambient pressure B0 was estimated to be 45 ± 3 GPa with the assumption of B0' = 4. The structural robustness of phase I at 8 K suggests that the superconductivity below 10 GPa is related to phase I. Topological properties of superconducting Bi2Te3 phase under pressure were discussed.
The Phase Transition of Eu2O3 under High Pressures
JIANG Sheng; BAI Li-Gang; LIU Jing; XIAO Wan-Sheng; LI Xiao-Dong; LI Yan-Chun; TANG Ling-Yun; ZHANG Yu-Feng; ZHANG De-Chun; ZHENG Li-Rong
2009-01-01
Pressure-induced phase transition of cubic Eu2Oa is studied by angle-dispersive x-ray diffraction (ADXD) up to 42.3 GPa at room temperature. A structural transformation from a cubic phase to a hexagonal phase is observed,which starts at 5.0 GPa and finishes at about 13.1 GPa. The phase transition leads to a volume collapse of 9.0% at 8.6 GPa. The hexagonal phase of Eu2O3 maintains stable up to the highest experiment pressure. After release of pressure, the high-pressure phase transforms to a monoclinic phase. The pressure-volume data are fitted with the Birch-Murnaghan equation of state. The bulk moduli obtained upon compression from the fitting are 145(2) GPa and 151(6) GPa for the cubic and hexagonal phases, respectively, when their first pressure derivatives are fixed at 4.
A covariant model for the gamma N -> N(1535) transition at high momentum transfer
Ramalho, G
2011-01-01
A relativistic constituent quark model is applied to the gamma N -> N(1535) transition. The N(1535) wave function is determined by extending the covariant spectator quark model, previously developed for the nucleon, to the S11 resonance. The model allows us to calculate the valence quark contributions to the gamma N -> N(1535) transition form factors. Because of the nucleon and N(1535) structure the model is valid only for Q^2> 2.3 GeV^2. The results are compared with the experimental data for the electromagnetic form factors F1* and F2* and the helicity amplitudes A_1/2 and S_1/2, at high Q^2.
A covariant model for the gamma N -> N(1535) transition at high momentum transfer
G. Ramalho, M.T. Pena
2011-08-01
A relativistic constituent quark model is applied to the gamma N -> N(1535) transition. The N(1535) wave function is determined by extending the covariant spectator quark model, previously developed for the nucleon, to the S11 resonance. The model allows us to calculate the valence quark contributions to the gamma N -> N(1535) transition form factors. Because of the nucleon and N(1535) structure the model is valid only for Q^2> 2.3 GeV^2. The results are compared with the experimental data for the electromagnetic form factors F1* and F2* and the helicity amplitudes A_1/2 and S_1/2, at high Q^2.
Coexisting shape- and high-K isomers in the shape transitional nucleus {sup 188}Pt
Mukhopadhyay, S., E-mail: somm@barc.gov.in [Nuclear Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Biswas, D.C. [Nuclear Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Tandel, S.K. [UM-DAE Centre for Excellence in Basic Sciences, Mumbai 400098 (India); Danu, L.S.; Joshi, B.N.; Prajapati, G.K. [Nuclear Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Nag, Somnath [Dept. of Physics, IIT Kharagpur, Kharagpur 721302 (India); Trivedi, T.; Saha, S.; Sethi, J.; Palit, R. [Dept. of Nuclear and Atomic Physics, TIFR, Mumbai 400005 (India); Joshi, P.K. [Homi Bhabha Centre for Science Education, TIFR, Mumbai 400088 (India)
2014-12-12
A high-spin study of the shape transitional nucleus {sup 188}Pt reveals the unusual coexistence of both shape- and K-isomeric states. Reduced B(E2) transition probabilities for decays from these states inferred from the data clearly establish their hindered character. In addition to other excited structures, a rotational band built upon the K isomer is identified, and its configuration has been assigned through an analysis of alignments and branching ratios. The shape evolution with spin in this nucleus has been inferred from both experimental observables and cranking calculations. The yrast positive parity structure appears to evolve from a near-prolate deformed shape through triaxial at intermediate excitation, and eventually to oblate at the highest spins.
Structural and magnetic phase transitions in gadolinium under high pressures and low temperatures
Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; Vohra, Yogesh K.
2014-10-01
High pressure structural transition studies have been carried out on rare earth metal gadolinium in a diamond anvil cell at room temperature to 169 GPa. Gadolinium has been compressed to 38% of its initial volume at this pressure. With increasing pressure, a crystal structure sequence of hcp → Sm-type → dhcp → fcc → dfcc → monoclinic has been observed in our studies on gadolinium. The measured equation of state of gadolinium is presented to 169 GPa at ambient temperature. Magnetic ordering temperature of gadolinium has been studied using designer diamond anvils to a pressure of 25 GPa and a temperature of 10 K. The magnetic ordering temperature has been determined from the four-point electrical resistivity measurements carried out on gadolinium. Our experiments show that the magnetic transition temperature decreases with increasing pressure to 19 GPa and then increases when gadolinium is subjected to higher pressures.
High-field superconductivity at an electronic topological transition in URhGe
Yelland, E. A.; Barraclough, J. M.; Wang, W.; Kamenev, K. V.; Huxley, A. D.
2011-11-01
The emergence of superconductivity at high magnetic fields in URhGe is regarded as a paradigm for new state formation approaching a quantum critical point. Until now, a divergence of the quasiparticle mass at the metamagnetic transition was considered essential for superconductivity to survive at magnetic fields above 30T. Here we report the observation of quantum oscillations in URhGe revealing a tiny pocket of heavy quasiparticles that shrinks continuously with increasing magnetic field, and finally disappears at a topological Fermi surface transition close to or at the metamagnetic field. The quasiparticle mass decreases and remains finite, implying that the Fermi velocity vanishes due to the collapse of the Fermi wavevector. This offers a novel explanation for the re-emergence of superconductivity at extreme magnetic fields and makes URhGe the first proven example of a material where magnetic field-tuning of the Fermi surface, rather than quantum criticality alone, governs quantum phase formation.
High-temperature phase transitions in SrHfO{sub 3}
Kennedy, B.J.; Howard, C.J. [School of Chemistry, The University of Sydney, Sydney, New South Wales 2006 (Australia); Chakoumakos, B.C. [Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
1999-08-01
The crystal structure of SrHfO{sub 3} has been studied at high temperatures using powder neutron diffraction and the Rietveld method. From 300 K to approximately 670 K the structure of SrHfO{sub 3} is orthorhombic ({ital Pnma}). By 870 K the material adopts a second orthorhombic structure ({ital Cmcm}). The material then undergoes a further phase transition and is tetragonal (I4/mcm) from {approximately}1000 to 1353 K. At higher temperatures ({gt}1360 K) the structure is the ideal cubic perovskite (Pm{bar 3}m). The angle of rotation of the oxygen octahedron in the tetragonal phase is taken as the order parameter and its temperature variation is consistent with a second order phase transition. {copyright} {ital 1999} {ital The American Physical Society}
Determination of the transition to the high entropy regime for alloys of refractory elements
Grosso, Mariela F. del [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499 (B1650KNA), San Martin (Argentina); CONICET, Buenos Aires (Argentina); Grupo de Caracterizacion y Modelizacion de Materiales, UTN, FRGP, H. Yrigoyen 288, (B1617FRG) Gral. Pacheco (Argentina); Bozzolo, Guillermo, E-mail: guille_bozzolo@yahoo.com [Loyola University Maryland, 4501 N. Charles St., Baltimore, MD 21210 (United States); Mosca, Hugo O. [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499 (B1650KNA), San Martin (Argentina); Grupo de Caracterizacion y Modelizacion de Materiales, UTN, FRGP, H. Yrigoyen 288, (B1617FRG) Gral. Pacheco (Argentina)
2012-09-05
Highlights: Black-Right-Pointing-Pointer Atomistic modeling using a quantum approximate method for the energetics. Black-Right-Pointing-Pointer Modeling of the phase structure of high entropy alloys of refractory elements. Black-Right-Pointing-Pointer Comparison of modeled structure with experimental results for five-element alloys. Black-Right-Pointing-Pointer Determination of bulk properties of transitional chains from 4 to 5 element alloys. Black-Right-Pointing-Pointer Introduction of an algorithm to aid in the design of high entropy alloys. - Abstract: The development of high entropy alloys is currently limited to experimental work aimed at the determination of specific compositions that exhibit particular properties. The main feature of these alloys is their particular phase structure, which tends to be a continuous solid solution in spite of the large number of constituents which would otherwise form a large number of intermetallic phases. While it is known that equimolar concentrations and large number of elements are two necessary conditions for achieving high entropy behavior, not much is known regarding the transition to this regime in the presence of specific elements. Such knowledge would be useful when determining alloy compositions, as it would set boundaries for the necessary concentrations of each element in experimental situations. In this work, results of a computational modeling effort are presented, where a recently developed 5-element high entropy alloy of refractory elements is used as the foundation needed to examine such transition and determine the necessary lower bounds for the concentration of each element. Details of the phase structure of the quaternary combinations of W, Nb, Mo, Ta and V as they evolve upon the addition of a fifth element are discussed. The results are compared to the experimental case for the case of V added to W-Nb-Mo-Ta. Using these examples as a reference, the concept of critical concentrations for each element
Xu, G. S.; Wan, B. N.; Wang, H. Q.;
2016-01-01
A new model for the low-to-high (L-H) confinement transition has been developed based on a new paradigm for turbulence suppression by velocity shear [G. M. Staebler et al., Phys. Rev. Lett.110, 055003 (2013)]. The model indicates that the L-H transition can be mediated by a shift in the radial wa...
Aguiar, Liza; Danialan, Richard; Kim, Christina
2015-06-01
Transitional cell carcinoma is a rare entity in children, especially in the first decade of life. The majority of these tumors are of low grade and noninvasive. We report an interesting case of a high-grade superficial transitional cell carcinoma in a 3-year-old girl with Turner syndrome.
Phase transitions in Cd3P2 at high pressures and high temperatures
Yel'kin, F.S.; Sidorov, V.A.; Waskowska, A.;
2008-01-01
The high-pressure, high-temperature structural behaviour of Cd3P2 has been studied using electrical resistance measurements, differential thermal analysis, thermo baric analysis and X-ray diffraction. At room temperature, a phase transformation is observed at 4.0 GPa in compression....... The experimental zero-pressure bulk modulus of the low-pressure phase is 64.7(7) GPa, which agrees quite well with the calculated value of 66.3 GPa using the tight-binding linear muffin-tin orbital method within the local density approximation. Tentatively, the high-pressure phase has an orthorhombic crystal...
Significant improvement in Mn2O3 transition metal oxide electrical conductivity via high pressure
Hong, Fang; Yue, Binbin; Hirao, Naohisa; Liu, Zhenxian; Chen, Bin
2017-01-01
Highly efficient energy storage is in high demand for next-generation clean energy applications. As a promising energy storage material, the application of Mn2O3 is limited due to its poor electrical conductivity. Here, high-pressure techniques enhanced the electrical conductivity of Mn2O3 significantly. In situ synchrotron micro X-Ray diffraction, Raman spectroscopy and resistivity measurement revealed that resistivity decreased with pressure and dramatically dropped near the phase transition. At the highest pressure, resistivity reduced by five orders of magnitude and the sample showed metal-like behavior. More importantly, resistivity remained much lower than its original value, even when the pressure was fully released. This work provides a new method to enhance the electronic properties of Mn2O3 using high-pressure treatment, benefiting its applications in energy-related fields. PMID:28276479
Dynamic Heterogeneity in Highly Cross-linked Epoxy in the Vicinity of Glass Transition
Lin, Po-Han; Khare, Rajesh
2010-03-01
Cross-linked epoxy has been widely used in aerospace and electronics industries. The highly cross-linked nature of these systems leads to different chain dynamics as compared to the linear polymeric systems. In this work, we have used molecular dynamics (MD) simulations to study the dynamic heterogeneity in cross-linked epoxy near the glass transition temperature. Well-relaxed atomistic models of cross-linked epoxy were first created by employing the simulated annealing polymerization approach. The specific epoxy system studied consisted of diglycidyl ether of bisphenol-A (DGEBA) as the epoxy monomer and trimethylene glycol di-p-aminobenzoate (TMAB) as the cross-linker. The glass transition temperature of these model structures was determined from MD simulation by monitoring their volume-temperature behaviour in a stepwise cooling run. The chain dynamics of these systems were characterized by their local translational and orientational mobility. Furthermore, dynamic heterogeneity was studied by analyzing the spatial distribution of the mobile and immobile atoms in the system near the glass transition temperature.
Effects of the quark-hadron phase transition on highly magnetized neutron stars
Franzon, B.; Gomes, R. O.; Schramm, S.
2016-11-01
The presence of quark-hadron phase transitions in neutron stars can be related to several interesting phenomena. In particular, previous calculations have shown that fast rotating neutron stars, when subjected to a quark-hadron phase transition in their interiors, could give rise to the backbending phenomenon characterized by a spin-up era. In this work, we use an equation of state composed of two phases, containing nucleons (and leptons) and quarks. The hadronic phase is described in a relativistic mean field formalism that takes many-body forces into account, and the quark phase is described by the MIT bag model with a vector interaction. Stationary and axisymmetric stellar models are obtained in a self-consistent way by solving numerically the Einstein-Maxwell equations by means of a pseudo-spectral method. As a result, we obtain the interesting backbending phenomenon for fast spinning neutron stars. More importantly, we show that a magnetic field, which is assumed to be axisymmetric and poloidal, can also be enhanced due to the phase transition from normal hadronic matter to quark matter on highly magnetized neutron stars. Therefore, in parallel to the spin-up era, classes of neutron stars endowed with strong magnetic fields may go through a `magnetic-up era' in their lives.
Roshani Silwal
2017-09-01
Full Text Available Extreme ultraviolet spectra of the L-shell ions of highly charged yttrium (Y 26 + –Y 36 + were observed in the electron beam ion trap of the National Institute of Standards and Technology using a flat-field grazing-incidence spectrometer in the wavelength range of 4 nm-20 nm. The electron beam energy was systematically varied from 2.3 keV–6.0 keV to selectively produce different ionization stages. Fifty-nine spectral lines corresponding to Δ n = 0 transitions within the n = 2 and n = 3 shells have been identified using detailed collisional-radiative (CR modeling of the non-Maxwellian plasma. The uncertainties of the wavelength determinations ranged between 0.0004 nm and 0.0020 nm. Li-like resonance lines, 2s– 2 p 1 / 2 and 2s–2 p 3 / 2 , and the Na-like D lines, 3s– 3 p 1 / 2 and 3s– 3 p 3 / 2 , have been measured and compared with previous measurements and calculations. Forbidden magnetic dipole (M1 transitions were identified and analyzed for their potential applicability in plasma diagnostics using large-scale CR calculations including approximately 1.5 million transitions. Several line ratios were found to show strong dependence on electron density and, hence, may be implemented in the diagnostics of hot plasmas, in particular in fusion devices.
Pu, Jiang
2016-03-23
Complementary inverters constructed from large-area monolayers of WSe2 and MoS2 achieve excellent logic swings and yield an extremely high gain, large total noise margin, low power consumption, and good switching speed. Moreover, the WSe2 complementary-like inverters built on plastic substrates exhibit high mechanical stability. The results provide a path toward large-area flexible electronics. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Point charges optimally placed to represent the multipole expansion of charge distributions.
Ramu Anandakrishnan
Full Text Available We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance 2x the extent of the charge distribution--the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom, is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å is half that of the point multipole expansion up to the octupole
Insights into the water mean transit time in a high-elevation tropical ecosystem
Mosquera, Giovanny M.; Segura, Catalina; Vaché, Kellie B.; Windhorst, David; Breuer, Lutz; Crespo, Patricio
2016-07-01
This study focuses on the investigation of the mean transit time (MTT) of water and its spatial variability in a tropical high-elevation ecosystem (wet Andean páramo). The study site is the Zhurucay River Ecohydrological Observatory (7.53 km2) located in southern Ecuador. A lumped parameter model considering five transit time distribution (TTD) functions was used to estimate MTTs under steady-state conditions (i.e., baseflow MTT). We used a unique data set of the δ18O isotopic composition of rainfall and streamflow water samples collected for 3 years (May 2011 to May 2014) in a nested monitoring system of streams. Linear regression between MTT and landscape (soil and vegetation cover, geology, and topography) and hydrometric (runoff coefficient and specific discharge rates) variables was used to explore controls on MTT variability, as well as mean electrical conductivity (MEC) as a possible proxy for MTT. Results revealed that the exponential TTD function best describes the hydrology of the site, indicating a relatively simple transition from rainfall water to the streams through the organic horizon of the wet páramo soils. MTT of the streams is relatively short (0.15-0.73 years, 53-264 days). Regression analysis revealed a negative correlation between the catchment's average slope and MTT (R2 = 0.78, p < 0.05). MTT showed no significant correlation with hydrometric variables, whereas MEC increases with MTT (R2 = 0.89, p < 0.001). Overall, we conclude that (1) baseflow MTT confirms that the hydrology of the ecosystem is dominated by shallow subsurface flow; (2) the interplay between the high storage capacity of the wet páramo soils and the slope of the catchments provides the ecosystem with high regulation capacity; and (3) MEC is an efficient predictor of MTT variability in this system of catchments with relatively homogeneous geology.
Self-Consistent Description of Multipole Strength in Exotic Nuclei I: Method
Terasaki, J; Bender, M; Dobaczewski, J; Nazarewicz, W; Stoitsov, M V
2004-01-01
We use the canonical Hartree-Fock-Bogoliubov basis to implement a completely self-consistent quasiparticle-random-phase approximation with arbitrary Skyrme energy density functionals and density-dependent pairing functionals. The point of the approach is to accurately describe multipole strength functions in spherical even-even nuclei, including weakly-bound drip-line systems. We describe the method and carefully test its accuracy, particularly in handling spurious modes. To illustrate our approach, we calculate isoscalar and isovector monopole, dipole, and quadrupole strength functions in several Sn isotopes, both in the stable region and at the drip lines.
Enhancing monochromatic multipole emission by a subwavelength enclosure of degenerate Mie resonances
Zhao, Jiajun
2017-07-06
Sound emission is inefficient at low frequencies as limited by source size. This letter presents enhancing emission of monochromatic monopole and multipole sources by enclosing the source with a subwavelength circular enclosure filled of an anisotropic material of a low radial sound speed. The anisotropy is associated with an infinite tangential density along the azimuth. Numerical simulations show that emission gain is produced at frequencies surrounding degenerate Mie resonant frequencies of the enclosure, and meanwhile the radiation directivity pattern is well preserved. The degeneracy is theoretically analyzed. A realization of the material is suggested by using a space-coiling structure.
Chremmos, Ioannis; Giamalaki, Melpomeni; Yannopapas, Vassilios; Paspalakis, Emmanuel
2014-01-01
We present a formulation for deriving effective medium properties of infinitely periodic two-dimensional metamaterial lattice structures beyond the static and quasi-static limits. We utilize the multipole expansions, where the polarization currents associated with the supported Bloch modes are expressed via the electric dipole, magnetic dipole, and electric quadrupole moments per unit length. We then propose a method to calculate the Bloch modes based on the lattice geometry and individual unit element structure. The results revert to well-known formulas in the quasistatic limit and are useful for the homogenization of nanorod-type metamaterials which are frequently used in optical applications.
Plasma confinement time in trimix-M galatea multipole magnetic trap
Bishaev, A. M.; Bugrova, A. I.; Kozintseva, M. V.; Lipatov, A. S.; Sigov, A. S.; Kharchevnikov, V. K.
2010-05-01
The confinement time of hydrogen plasma trapped in a Trimix-M magnetic multipole galatea was studied in a range of plasma densities (1 × 1016 - 6 × 1018 m-3) and ion energies (˜100-300 eV). It is established that (i) the confinement time increases with decreasing plasma density in the trap and (ii) as the barrier magnetic field is increased, the plasma confinement time grows faster than according to a linear law. The obtained results are indicative of a collisional character of plasma diffusion through the barrier field in the trap.
Adaptive grouping for the higher-order multilevel fast multipole method
Borries, Oscar Peter; Jørgensen, Erik; Meincke, Peter
2014-01-01
An alternative parameter-free adaptive approach for the grouping of the basis function patterns in the multilevel fast multipole method is presented, yielding significant memory savings compared to the traditional Octree grouping for most discretizations, particularly when using higher-order basis...... 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....
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.
Kinjo, Ryota; Kagamihata, Akihiro; Seike, Takamitsu; Kishimoto, Hikaru; Ohashi, Haruhiko; Yamamoto, Shigeru; Tanaka, Takashi
2017-07-01
A lightweight-compact variable-gap undulator (LCVGU) having the force-cancellation system based on the multipole monolithic magnets (MMMs) has been developed. The LCVGU is free from the heavy mechanical frames, which is a fundamental element specific to conventional variable-gap undulators (VGUs) because of a strong attractive force, and thus the cost and time for construction and installation are expected to be significantly reduced; the MMMs counteract the strong attractive force in a cost-effective manner. Results of mechanical tests and magnetic-field measurements of two prototype LCVGUs equipped with the proposed force cancellation system have revealed the comparable performance with the conventional VGUs.
Døssing, Mads
Time series of pressure fluctuations has been obtained using high frequency microphones distributed over the surface of airfoils undergoing wind tunnel tests in the LM Windtunnel, owned by ’LM Glasfiber’, Denmark. The present report describes the dataanalysis, with special attention given...... pressure) and Tollmien-Schlichting frequencies. The tests were made at Reynolds and Mach numbers corresponding to the operating conditions of a typical horizontal axis wind turbine (HAWT). The Risø B1-18, Risø C2-18 and NACA0015 profiles were tested and the measured transition points are reported....
A Simple System to Measure Superconducting Transition Temperature at High Pressure
YU Yong; ZHAI Guang-Jie; JIN Chang-Qing
2009-01-01
A simple hydride system is fabricated to measure the superconducting transition temperature Tc under high pressure using a diamond anvil cell (DAC). The system is designed with centrosymetric coils around the diamond that makes it easy to keep balance between the pick-up coil and the inductance coil, while the superconducting states can be modulated with a low-frequency small external magnetic field. Using the device we successfully obtain the Tc evolution as a function of applied pressure up to 10 GPa for YBa2 Cu3O6+δ superconductor single crystal.
Circular dichroism in free-free transitions of high energy electron-atom scattering
Cionga, Aurelia; Zloh, Gabriela; 10.1103/PhysRevA.62.063406
2013-01-01
We consider high energy electron scattering by hydrogen atoms in the presence of a laser field of moderate power and higher frequencies. If the field is a superposition of a linearly and a circularly polarized laser beam in a particular configuration, then we can show that circular dichroism in two photon transitions can be observed not only for the differential but also for the integrated cross sections, provided the laser-dressing of the atomic target is treated in second order perturbation theory and the coupling between hydrogenic bound and continuum states is involved.
Lin, Jeffrey; Scalo, Carlo; Hesselink, Lambertus
2015-11-01
We have carried out the first high-fidelity Navier-Stokes simulation of a complete thermoacoustic engine with piezoelectric energy extraction. The standing-wave thermoacoustic piezoelectric (TAP) engine model comprises a 51 cm long cylindrical resonator, containing a thermoacoustic stack on one end and capped by a PZT-5A piezoelectric diaphragm on the other end, tuned to the frequency of the thermoacoustically-amplified mode (388 Hz). A multi-pole broadband time-domain impedance model has been adopted to accurately simulate the measured electromechanical properties of the piezoelectric diaphragm. Simulations are first carried out from quasi-quiescent conditions to a limit cycle, with varying temperature gradients and stack configurations. Stack geometry and boundary layers are fully resolved. Acoustic energy extraction is then activated, achieving a new limit cycle at lower pressure amplitudes. The scaling of the modeled electrical power output and attainable thermal-to-electric energy conversion efficiencies are discussed. Limitations of extending a quasi-one-dimensional linear approximation based on Rott's theory to a (low amplitude) limit cycle are discussed, as well as nonlinear effects such as thermoacoustic energy transport and viscous dissipation.
Tennyson, Jonathan; Campargue, Alain; Csaszar, Attila G; Daumont, Ludovic; Gamache, Robert R; Hodges, Joseph T; Lisak, Daniel; Naumenko, Olga V; Rothman, Laurence S; Tran, Ha; Zobov, Nikolai F; Buldyreva, Jeanna; Boone, Chris D; De Vizia, Maria Domenica; Gianfrani, Livio; Hartmann, Jean-Michel; McPheat, Robert; Murray, Jonathan; Ngo, Ngoc Hoa; Polyansky, Oleg L; Weidmann, Damien
2014-01-01
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should b...
Bonner, B P; Berge, P A; Carlson, S C; Farber, D L; Akella, J
2007-03-21
This report describes the development of a high-frequency ultrasonic measurement capability for application to the study of phase transitions at elevated pressure and temperature. We combined expertise in various aspects of static high-pressure technique with recent advances in wave propagation modeling, ultrasonic transducer development, electronic methods and broadband instrumentation to accomplish the goals of this project. The transduction and electronic systems have a demonstrated bandwidth of 400 MHz, allowing investigations of phenomena with characteristic times as short as 2.5 nS. A compact, pneumatically driven moissanite anvil cell was developed and constructed for this project. This device generates a high-pressure environment for mm dimension samples to pressures of 3 GPa. Ultrasonic measurements were conducted in the moissanite cell, an LLNL multi-anvil device and in a modified piston cylinder device. Measurements for water, and elemental tantalum, tin and cerium demonstrate the success of the methods. The {gamma}-{alpha} phase transition in cerium was clearly detected at {approx}0.7 GPa with 75 MHz longitudinal waves. These results have direct application to important problems in LLNL programs, as well as seismology and planetary science.
Very high thermoelectric figure of merit found in hybrid transition-metal-dichalcogenides
Ouyang, Yulou; Xie, Yuee; Zhang, Zhongwei; Peng, Qing; Chen, Yuanping
2016-12-01
The search for thermoelectrics with higher figures of merit (ZT) will never stop due to the demand of heat harvesting. Single layer transition metal dichalcogenides (TMD), namely, MX2 (where M is a transition metal and X is a chalcogen), that have electronic band gaps are among the new materials that have been the focus of such research. Here, we investigate the thermoelectric transport properties of hybrid armchair-edged TMD nanoribbons, by using the nonequilibrium Green's function technique combined with the first principles and molecular dynamics methods. We find a ZT as high as 7.4 in hybrid MoS2/MoSe2 nanoribbons at 800 K, creating a new record for ZT. Moreover, the hybrid interfaces by substituting X atoms are more efficient than those by substituting M atoms to tune the ZT. The origin of such a high ZT of hybrid nanoribbons is the high density of the grain boundaries: the hybrid interfaces decrease thermal conductance drastically without a large penalty to electronic conductance.
KOI-1299 b: a massive planet in a highly eccentric orbit transiting a red giant
Ciceri, Simona; Southworth, John; Mancini, Luigi; Henning, Thomas; Barrado, David
2014-01-01
We confirm the planetary nature of the Kepler object of interest KOI-1299 b. We accurately constrained its mass and eccentricity by high-precision radial velocity measurements obtained with the CAFE spectrograph at the CAHA 2.2-m telescope. By a simultaneous fit of these new data and Kepler photometry, we found that KOI-1299 b is a dense transiting exoplanet, having a mass of Mp = 4.87 +/- 0.48 MJup and radius of Rp = 1.120 +/- 0.036 RJup. The planet revolves around a K giant star, ascending the red giant branch, every 52.5 d, moving on a highly eccentric orbit with e = 0.535 +/- 0.030. By analysing two NIR high-resolution images, we found that a star occurs at 1.1 from KOI-1299, but it is too faint to cause significant effects on the transit depth. Together with Kepler-56 and Kepler-91, KOI-1299 occupies an almost-desert region of parameter space, which is important to constrain the evolutionary processes of planetary systems.
BAI Sha; P. Bambade; WANG Dou; GAO Jie; M. Woodley; M. Masuzawa
2012-01-01
The ATF2 project is the final focus system prototype for the ILC and CLIC linear collider projects,with the purpose of reaching a 37nm vertical beam size at the interaction point.In the nanometer beam size regime,higher order multipoles in magnets become a crucial point for consideration.The strength and rotation angle of the ATF2 QEA magnets were reconstructed from the IHEP measurements and compared with the KEK ones to be identical.Based on the study of the skew multipoles sensitivity,we report on the analysis of the possible mitigation of the measured multipoles.A suggestion is given which will benefit the ATF2 present commissioning to reach the goal beam size,and also the reduced β optics in future.
Integrated High-Rate Transition Radiation Detector and Tracking Chamber for the LHC
2002-01-01
% RD-6 \\\\ \\\\Over the past five years, RD-6 has developed a transition radiation detector and charged particle tracker for high rate operation at LHC. The detector elements are based on C-fibre reinforced kapton straw tubes of 4~mm diameter filled with a Xenon gas mixture. Detailed measurements with and without magnetic field have been performed in test beams, and in particular have demonstrated the possibility of operating straw tubes at very high rate (up to 20~MHz) with accurate drift-time measurement accuracy. A full-scale engineering prototype containing 10~000 straws is presently under assembly and will be accurately measured with a powerful X-ray tube. Integrated front-end electronics with fast readout have been designed and successfully operated in test beam. \\\\ \\\\Finally extensive simulations performed for ATLAS have shown that such a detector will provide powerful pattern recognition, accurate momentum measurements, efficient level-2 triggering and excellent electron identification, even at the highe...
High pressure effect on structural transition of Fe cluster during rapid quenching processes
无
2010-01-01
Molecular dynamics simulations of 21,952 atoms have been performed to study local structure evolution and glass formation in iron melts rapidly cooled under high pressures.In the quenching processes,structural transition details have been analyzed by using the radial distribution function g(r) and bond pair analysis technique.It is shown that high pressure strengthens the order degree of the glass system and favors the glass formation.That means with the increase of pressures,a more compacted local structure with more ideal icosahedra can be obtained.The calculations of free volume of the system indicate that the decrease of the number of the defected ideal icosahedra under high pressure contributes to the glass formation of Fe.
Schinke, S P; Schilling, R F; Snow, W H
1987-01-01
This paper reports an outcome study of coping skills intervention to help adolescents manage stress associated with the transition from elementary school to junior high. In a randomized design, sixth grade students from four elementary schools were pretested, then two schools each were assigned to an intervention condition and to a control condition. Intervention condition subjects received eight sessions of instruction and practice in coping skills intervention. Following intervention, all subjects were posttested. At posttest and relative to control condition subjects, intervention condition subjects scored more positively on measures of problem solving, assertive direct refusals, adequacy of information about junior high school, ability to handle stress, ability to deal with peer pressure, and general readiness for junior high school.
High-latitude ocean ventilation and its role in Earth's climate transitions.
Naveira Garabato, Alberto C; MacGilchrist, Graeme A; Brown, Peter J; Evans, D Gwyn; Meijers, Andrew J S; Zika, Jan D
2017-09-13
The processes regulating ocean ventilation at high latitudes are re-examined based on a range of observations spanning all scales of ocean circulation, from the centimetre scales of turbulence to the basin scales of gyres. It is argued that high-latitude ocean ventilation is controlled by mechanisms that differ in fundamental ways from those that set the overturning circulation. This is contrary to the assumption of broad equivalence between the two that is commonly adopted in interpreting the role of the high-latitude oceans in Earth's climate transitions. Illustrations of how recognizing this distinction may change our view of the ocean's role in the climate system are offered.This article is part of the themed issue 'Ocean ventilation and deoxygenation in a warming world'. © 2017 The Authors.
Hua Zhang
2009-12-01
Full Text Available A highly efficient transition-metal-free catalytic system Br2/NaNO2/H2O has been developed for a robust and economic acid-free aerobic oxidation of sulfides. It is noteworthy that the sulfide function reacts under mild conditions without over-oxidation to sulfone. The role of NaNO2as an efficient NO equivalent for the activation of molecular oxygen was identified. Under the optimal conditions, a broad range of sulfide substrates were converted into their corresponding sulfoxides in high yields by molecular oxygen. The present catalytic system utilizes cheap and readily available agents as the catalysts, exhibits high selectivity for sulfoxide products and releases only innocuous water as the by-products.
Phase Transition and EOS of Cinnabar (α-HgS) at High Pressure and High Temperature
FAN Da-Wei; ZHOU Wen-Ge; LIU Cong-Qiang; WAN Fang; XING Yin-Suo; LIU Jing; LI Yan-Chun; XIE Hong-Sen
2009-01-01
@@ Phase relations and equation of state (EOS) of natural cinnabar (α-HgS) are investigated by high-pressure and high-temperature synchrotron x-ray powder diffraction. The unambiguous cinnabar-rocksalt structure phase boundaries are determined to be Plower(Gpa)=15.54-0.014T(℃) and Pupper(Gpa)= 23.84 - 0.014T(℃) at 300--623K. With K' axed at 4, we obtain K0 = 37(4) Gpa, ( K/ T)p=-0.025(2) GPaK-1, and α0= 3.79(20)× 10-5 K-1 for the cinnabar phase of α-HgS. The ( K/ T)p and α0 of cinnabar phase are obtained for the first time. A nearly isotropic compression of cinnabar phase is observed by linear regressions.
McWethy, David B; Wilmshurst, Janet M; Whitlock, Cathy; Wood, Jamie R; McGlone, Matt S
2014-01-01
Human-caused forest transitions are documented worldwide, especially during periods when land use by dense agriculturally-based populations intensified. However, the rate at which prehistoric human activities led to permanent deforestation is poorly resolved. In the South Island, New Zealand, the arrival of Polynesians c. 750 years ago resulted in dramatic forest loss and conversion of nearly half of native forests to open vegetation. This transformation, termed the Initial Burning Period, is documented in pollen and charcoal records, but its speed has been poorly constrained. High-resolution chronologies developed with a series of AMS radiocarbon dates from two lake sediment cores suggest the shift from forest to shrubland occurred within decades rather than centuries at drier sites. We examine two sites representing extreme examples of the magnitude of human impacts: a drier site that was inherently more vulnerable to human-set fires and a wetter, less burnable site. The astonishing rate of deforestation at the hands of small transient populations resulted from the intrinsic vulnerability of the native flora to fire and from positive feedbacks in post-fire vegetation recovery that increased landscape flammability. Spatially targeting burning in highly-flammable seral vegetation in forests rarely experiencing fire was sufficient to create an alternate fire-prone stable state. The New Zealand example illustrates how seemingly stable forest ecosystems can experience rapid and permanent conversions. Forest loss in New Zealand is among the fastest ecological transitions documented in the Holocene; yet equally rapid transitions can be expected in present-day regions wherever positive feedbacks support alternate fire-inhibiting, fire-prone stable states.
David B McWethy
Full Text Available Human-caused forest transitions are documented worldwide, especially during periods when land use by dense agriculturally-based populations intensified. However, the rate at which prehistoric human activities led to permanent deforestation is poorly resolved. In the South Island, New Zealand, the arrival of Polynesians c. 750 years ago resulted in dramatic forest loss and conversion of nearly half of native forests to open vegetation. This transformation, termed the Initial Burning Period, is documented in pollen and charcoal records, but its speed has been poorly constrained. High-resolution chronologies developed with a series of AMS radiocarbon dates from two lake sediment cores suggest the shift from forest to shrubland occurred within decades rather than centuries at drier sites. We examine two sites representing extreme examples of the magnitude of human impacts: a drier site that was inherently more vulnerable to human-set fires and a wetter, less burnable site. The astonishing rate of deforestation at the hands of small transient populations resulted from the intrinsic vulnerability of the native flora to fire and from positive feedbacks in post-fire vegetation recovery that increased landscape flammability. Spatially targeting burning in highly-flammable seral vegetation in forests rarely experiencing fire was sufficient to create an alternate fire-prone stable state. The New Zealand example illustrates how seemingly stable forest ecosystems can experience rapid and permanent conversions. Forest loss in New Zealand is among the fastest ecological transitions documented in the Holocene; yet equally rapid transitions can be expected in present-day regions wherever positive feedbacks support alternate fire-inhibiting, fire-prone stable states.
Narita, Norio; Fukui, Akihiko; Hori, Yasunori; Sanchis-Ojeda, Roberto; Winn, Joshua N; Ryu, Tsuguru; Kusakabe, Nobuhiko; Kudo, Tomoyuki; Onitsuka, Masahiro; Delrez, Laetitia; Gillon, Michael; Jehin, Emmanuel; McCormac, James; Holman, Matthew; Izumiura, Hideyuki; Takeda, Yoichi; Tamura, Motohide; Yanagisawa, Kenshi
2015-01-01
K2-19 (EPIC201505350) is a unique planetary system in which two transiting planets with radii ~ 7 $R_{Earth}$ (inner planet b) and ~ 4 $R_{Earth}$ (outer planet c) have orbits that are nearly in a 3:2 mean-motion resonance. Here, we present results of ground-based follow-up observations for the K2-19 planetary system. We have performed high-dispersion spectroscopy and high-contrast adaptive-optics imaging of the host star with the HDS and HiCIAO on the Subaru 8.2m telescope. We find that the host star is relatively old (>8 Gyr) late G-type star ($T_{eff}$ ~ 5350 K, $M_s$ ~ 0.9 $M_{Sun}$, and $R_{s}$ ~ 0.9 $R_{Sun}$). We do not find any contaminating faint objects near the host star which could be responsible for (or dilute) the transit signals. We have also conducted transit follow-up photometry for the inner planet with KeplerCam on the FLWO 1.2m telescope, TRAPPISTCAM on the TRAPPIST 0.6m telescope, and MuSCAT on the OAO 1.88m telescope. We confirm the presence of transit-timing variations, as previously re...
Kim, Y.; Secco, R.; Hwang, G.; Bao, X.; Ming, L.
2011-12-01
Ilmenite minerals found in Switzerland Alpe Arami peridotite massif indicate that these precipitates are metastable phases converted from the single perovskite phase during the ascending process in the mantle. After this work, lots of subsequent high pressure-temperature experiments on ilmenite itself and its solid solution phases were performed to check the phase boundary from the starting phase to perovskite structure. This study also aims to identify the phase transition sequence(s) of the exsoluted ilmenite-hematite specimen where its locality is the Allard Lake area, Quebac, Canada, under high pressure and high temperature conditions. Bulky ore sample consists of 76.2% ilmenite and 23.8% hematite in volume. Chemistry of ilmenite is Fe1.02Mg0.13Ti0.92O3 and that of hematite, Fe2O3. Lattice parameters of ilmenite are a=5.08287(2)Å, c=14.0511(1)Å, and those of hematite a=5.04378(4)Å, c=13.7757(2)Å. Walker-type large volume multi anvil cell was employed for high pressure and high temperature experiment up to 14GPa and 2400K, respectively. Recovered samples after high pressure-temperature treatment were subjected to identify the product phase(s) by the general area detector x-ray diffraction method with conventional x-radiation as well as the x-ray micro-diffraction technique using synchrotron radiation. Phase transition sequences observed are the followings: starting exsoluted ilmenite-hematite phase transforms to the single phase of perovskite, then this perovskite phase disproportionate into various kind of oxides. Phase boundaries to perovskite, then to oxides were determined to be P(GPa)=31.8 - 0.0178T(K), and P(GPa)=23.8 - 0.0072T(K), respectively. Present result is different from the previous reports of Syono et al. (1980)(i.e., P(GPa)=25.2 - 0.01T(K)) and Ming et al. (2006)(i.e., P(GPa)=16.0 - 0.0012T(K)). Based on the present results applied to the Alpe Arami peridotite massif, source region would be much shallower part at the upper mantle(i.e., 240km
Rudolph, J K; Epp, S W; Steinbrügge, R; Beilmann, C; Brown, G V; Eberle, S; Graf, A; Harman, Z; Hell, N; Leutenegger, M; Müller, A; Schlage, K; Wille, H -C; Yavas, H; Ullrich, J; López-Urrutia, J R Crespo
2013-01-01
Photoabsorption by and fluorescence of the K{\\alpha} transitions in highly charged iron ions are essential mechanisms for X-ray radiation transfer in astrophysical environments. We study photoabsorption due to the main K{\\alpha} transitions in highly charged iron ions from heliumlike to fluorinelike (Fe 24+...17+) using monochromatic X-rays around 6.6 keV at the PETRA III synchrotron photon source. Natural linewidths were determined with hitherto unattained accuracy. The observed transitions are of particular interest for the understanding of photoexcited plasmas found in X-ray binaries and active galactic nuclei.
Saßmannshausen, Heiner; Deiglmayr, Johannes; Merkt, Frédéric
2016-12-01
We present an overview of our recent investigations of long-range interactions in an ultracold Cs Rydberg gas. These interactions are studied by high-resolution photoassociation spectroscopy, using excitation close to one-photon transitions into np3/2 Rydberg states with pulsed and continuous-wave ultraviolet laser radiation, and lead to the formation of long-range Cs2 molecules. We observe two types of molecular resonances. The first type originates from the correlated excitation of two atoms into Rydberg-atom-pair states interacting at long range via multipole-multipole interactions. The second type results from the interaction of one atom excited to a Rydberg state with one atom in the electronic ground state. Which type of resonances is observed in the experiments depends on the laser intensity and frequency and on the pulse sequences used to prepare the Rydberg states. We obtain insights into both types of molecular resonances by modelling the interaction potentials, using a multipole expansion of the long-range interaction for the first type of resonances and a Fermi-contact pseudo-potential for the second type of resonances. We analyse the relation of these long-range molecular resonances to molecular Rydberg states and ion-pair states, and discuss their decay channels into atomic and molecular ions. In experiments carried out with a two-colour two-photon excitation scheme, we observe a large enhancement of Rydberg-excitation probability, which we interpret as a saturable autocatalytic antiblockade phenomenon.
Predicting the Crystal Structure and Phase Transitions in High-Entropy Alloys
King, D. M.; Middleburgh, S. C.; Edwards, L.; Lumpkin, G. R.; Cortie, M.
2015-06-01
High-entropy alloys (HEAs) have advantageous properties compared with other systems as a result of their chemistry and crystal structure. The transition between a face-centered cubic (FCC) and body-centered cubic (BCC) structure in the Al x CoCrFeNi high-entropy alloy system has been investigated on the atomic scale in this work. The Al x CoCrFeNi system, as well as being a useful system itself, can also be considered a model HEA material. Ordering in the FCC structure was investigated, and an order-disorder transition was predicted at ~600 K. It was found that, at low temperatures, an ordered lattice is favored over a truly random lattice. The fully disordered BCC structure was found to be unstable. When partial ordering was imposed (lowering the symmetry), with Al and Ni limited specific sites of the BCC system, the BCC packing was stabilized. Decomposition of the ordered BCC single phase into a dual phase (Al-Ni rich and Fe-Cr rich) is also considered.
High-pressure structural phase transitions in chromium-doped BaFe2As2
Uhoya, Walter [University of Alabama, Birmingham; Brill, Joseph W. [University of Kentucky; Montgomery, Jeffrey M [University of Alabama, Birmingham; Samudrala, G K [University of Alabama, Birmingham; Tsoi, Georgiy [University of Alabama, Birmingham; Vohra, Y. K. [University of Alabama, Birmingham; Weir, S. T. [Lawrence Livermore National Laboratory (LLNL); Safa-Sefat, Athena [ORNL
2012-01-01
We report on the results from high pressure x-ray powder diffraction and electrical resistance measurements for hole doped BaFe{sub 2-x}Cr{sub x}As{sub 2} (x = 0, 0.05, 0.15, 0.4, 0.61) up to 81 GPa and down to 10 K using a synchrotron source and diamond anvil cell (DAC). At ambient temperature, an isostructural phase transition from a tetragonal (T) phase (I4/mmm) to a collapsed tetragonal (CT) phase is observed at 17 GPa. This transition is found to be dependent on ambient pressure unit cell volume and is slightly shifted to higher pressure upon increase in the Cr-doping. Unlike BaFe{sub 2}As{sub 2} which superconduct under high pressure, we have not detected any evidence of pressure induced superconductivity in chromium doped samples in the pressure and temperature range of this study. The measured equation of state parameters are presented for both the tetragonal and collapsed tetragonal phases for x = 0.05, 0.15, 0.40 and 0.61.
Nicholson, Kelly M; Sholl, David S
2014-11-17
Metal hydrides with high thermodynamic stability are desirable for high-temperature applications, such as those that require high hydrogen release temperatures or low hydrogen overpressures. First-principles calculations have been used previously to identify complex transition metal hydrides (CTMHs) for high temperature use by screening materials with experimentally known structures. Here, we extend our previous screening of CTMHs with a library of 149 proposed materials based on known prototype structures and charge balancing rules. These proposed materials are typically related to known materials by cation substitution. Our semiautomated, high-throughput screening uses density functional theory (DFT) and grand canonical linear programming (GCLP) methods to compute thermodynamic properties and phase diagrams: 81 of the 149 materials are found to be thermodynamically stable. We identified seven proposed materials that release hydrogen at higher temperatures than the associated binary hydrides and at high temperature, T > 1000 K, for 1 bar H2 overpressure. Our results indicate that there are many novel CTMH compounds that are thermodynamically stable, and the computed thermodynamic data and phase diagrams should be useful for selecting materials and operating parameters for high temperature metal hydride applications.
In situ X-ray observation of phase transitions in ZnF2 under high pressure and high temperature
Kusaba, Keiji; Kikegawa, Takumi
2008-02-01
High-pressure and high-temperature behavior of ZnF 2 with the rutile-type structure was investigated using an energy-dispersive-type X-ray diffraction method. Two high-pressure phases were found in the range up to 15 GPa and 400 ∘C. The CaCl 2-type phase with an orthorhombic cell (space group: Pnnm) was clearly observed at 5.4 GPa and 400 ∘C. Further phase transition was induced above 10 GPa at room temperature. The single phase of the high-pressure phase was obtained at 15.3 GPa and 350 ∘C. The high-pressure phase was found to have the PdF 2-type structure with a cubic cell (space group: Pa-3). The single phase was observed above 4 GPa in a pressure-release process at room temperature, and completely reverted to a mixture of the rutile-type phase and the α- PbO 2-type phase at ambient condition. The high-pressure behavior of ZnF 2 was similar to that of MgF 2.
A genetic algorithm for optimizing multi-pole Debye models of tissue dielectric properties
Clegg, J.; Robinson, M. P.
2012-10-01
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.
Szmytkowski, Radosław; Łukasik, Grzegorz
2016-09-01
We present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range 1 ⩽ Z ⩽ 137. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities α E L → E L and magnetizabilities (magnetic susceptibilities) χ M L → M L with 1 ⩽ L ⩽ 4 (i.e., the dipole, quadrupole, octupole and hexadecapole ones), the electric-to-magnetic cross-susceptibilities α E L → M(L - 1) with 2 ⩽ L ⩽ 5 and α E L → M(L + 1) with 1 ⩽ L ⩽ 4, the magnetic-to-electric cross-susceptibilities χ M L → E(L - 1) with 2 ⩽ L ⩽ 5 and χ M L → E(L + 1) with 1 ⩽ L ⩽ 4 (it holds that χ M L → E(L ∓ 1) =α E(L ∓ 1) → M L), and the electric-to-toroidal-magnetic cross-susceptibilities α E L → T L with 1 ⩽ L ⩽ 4. Numerical values are computed from general exact analytical formulas, derived by us elsewhere within the framework of the Dirac relativistic quantum mechanics, and involving generalized hypergeometric functions 3F2 of the unit argument.
A genetic algorithm for optimizing multi-pole Debye models of tissue dielectric properties.
Clegg, J; Robinson, M P
2012-10-01
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.
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
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_{...
Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew
2013-11-01
A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretization scheme, a Krylov subspace iterative solver package with reverse communication protocols, and an adaptive new version of the fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related libraries and utility tools are available at http://lsec.cc.ac.cn/~lubz/afmpb.html and a mirror site at http://mccammon.ucsd.edu/. This paper is a brief summary of the program: the algorithms, the implementation and the usage. Restrictions: Only three or six significant digits options are provided in this version. Unusual features: Most of the codes are in Fortran77 style. Memory allocation functions from Fortran90 and above are used in a few subroutines. Additional comments: The current version of the codes is designed and written for single core/processor desktop machines. Check http://lsec.cc.ac.cn/lubz/afmpb.html for updates and changes. Running time: The running time varies with the number of discretized elements (N) in the system and their distributions. In most cases, it scales linearly as a function of N.
A 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.
Werner, Hans-Joachim
2016-11-01
The accuracy of multipole approximations for distant pair energies in local second-order Møller-Plesset perturbation theory (LMP2) as introduced by Hetzer et al. [Chem. Phys. Lett. 290, 143 (1998)] is investigated for three chemical reactions involving molecules with up to 92 atoms. Various iterative and non-iterative approaches are compared, using different energy thresholds for distant pair selection. It is demonstrated that the simple non-iterative dipole-dipole approximation, which has been used in several recent pair natural orbitals (PNO)-LMP2 and PNO-LCCSD (local coupled-cluster with singles and doubles) methods, may underestimate the distant pair energies by up to 50% and can lead to significant errors in relative energies, unless very tight thresholds are used. The accuracy can be much improved by including higher multipole orders and by optimizing the distant pair amplitudes iteratively along with all other amplitudes. A new approach is presented in which very small special PNO domains for distant pairs are used in the iterative approach. This reduces the number of distant pair amplitudes by 3 orders of magnitude and keeps the additional computational effort for the iterative optimization of distant pair amplitudes minimal.
High magnetic field studies of the hidden order transition in URu2Si2.
Jaime, M; Kim, K H; Jorge, G; McCall, S; Mydosh, J A
2002-12-31
We studied in detail the low temperature/high magnetic field phases of URu2Si2 single crystals with specific heat, magnetocaloric effect, and magnetoresistance in magnetic fields up to 45 T. Data obtained down to 0.5 K, and extrapolated to T=0, show a suppression of the hidden-order phase at H0(0)=35.9+/-0.35 T and the appearance of a new phase for magnetic fields in excess of H1(0)=36.1+/-0.35 T observed only at temperatures lower than 6 K. In turn, complete suppression of this high field state is attained at a critical magnetic field H2(0)=39.7+/-0.35 T. No phase transitions are observed above 40 T. We discuss our results in the context of itinerant versus localized f electrons.
Ilya Alexeev
2015-12-01
Full Text Available A pump-probe experimental approach has been shown to be a very efficient tool for the observation and analysis of various laser matter interaction effects. In those setups, synchronized laser pulses are used to create an event (pump and to simultaneously observe it (probe. In general, the physical effects that can be investigated with such an apparatus are restricted by the temporal resolution of the probe pulse and the observation window. The latter can be greatly extended by adjusting the pump-probe time delay under the assumption that the interaction process remains fairly reproducible. Unfortunately, this assumption becomes invalid in the case of high-repetition-rate ultrafast laser material processing, where the irradiation history strongly affects the ongoing interaction process. In this contribution, the authors present an extension of the pump-probe setup that allows to investigate transitional and dynamic effects present during ultrafast laser machining performed at high pulse repetition frequencies.
Tang, Duihai; Zhang, Wenting; Zhang, Yinling; Qiao, Zhen-An; Liu, Yunling; Huo, Qisheng
2011-04-01
We have synthesized a series of catalysts for epoxidation of styrene by immobilizing salicylaldimine transition metal (copper, manganese, and cobalt) complexes on mesoporous silica nanoparticles (MSNs) with diameters of 120-150 nm. The prepared catalysts are characterized by infrared (IR) spectra, thermal gravimetric analyses (TGA), inductively coupled plasma (ICP), CHN elemental analysis, nitrogen adsorption-desorption, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). These catalysts possess excellent catalytic efficiency in epoxidation of styrene when using tert-BuOOH (TBHP) as oxidant. Styrene shows a high conversion (∼99%) as well as epoxide selectivity (∼80%) over Cu-MSN catalysts, and high conversion (∼99%) and moderate epoxide selectivity (∼65%) over Mn-MSN and Co-MSN catalysts. The recycling experiment results indicate that these catalysts maintain catalytic activity even after being used for three cycles. Our results indicate that MSNs can serve as better catalyst supports.
Sirena, M.; Félix, L. Avilés [Consejo Nacional de Investigaciones Científicas y Técnicas, Centro Atómico Bariloche, CNEA, Bustillo 9500, 8400 Bariloche (Argentina); Instituto Balseiro, Universidad Nacional de Cuyo and CNEA, 8400 Bariloche (Argentina); Haberkorn, N. [Consejo Nacional de Investigaciones Científicas y Técnicas, Centro Atómico Bariloche, CNEA, Bustillo 9500, 8400 Bariloche (Argentina)
2013-07-29
High transition temperature superconductor (HTc)/SrTiO{sub 3} (STO) bilayers were fabricated by sputtering deposition on (100) STO substrates. Their transport and morphological properties were characterized using conductive atomic force microscopy. The STO barriers present good insulating properties, with long attenuation lengths (λ ∼ 1 nm) which reduce the junction resistance and increase the operating critical current. The samples present roughness values smaller than 1 nm, with an extremely low density of surface defects (∼5 × 10{sup −5} defects/μm{sup 2}). The high control of the barrier quality over large defect free surfaces is encouraging for the development of microelectronics devices based in HTc Josephson junctions.
High Power, Room Temperature Terahertz Emitters Based on Dopant Transitions in 6H-Silicon Carbide
James Kolodzey; Guang-Chi Xuan; Peng-Cheng Lv; Nathan Sustersic; Xin Ma
2014-01-01
Electrically pumped high power terahertz (THz) emitters that operated above room temperature in a pulse mode were fabricated from nitrogen-doped n-type 6H-SiC. The emission spectra had peaks centered on 5 THz and 12 THz (20 meV and 50 meV) that were attributed to radiative transitions of excitons bound to nitrogen donor impurities. Due to the relatively deep binding energies of the nitrogen donors, above 100 meV, and the high thermal conductivity of the SiC substrates, the THz output power and operating temperature were significantly higher than previous dopant based emitters. With peak applied currents of a few amperes, and a top surface area of 1 mm2, the device emitted up to 0.5 mW at liquid nitrogen temperature (77 K), and tens of microwatts up to 333 K. This result is the highest temperature of THz emission reported from impurity-based emitters.
Polarization measurement of dielectronic recombination transitions in highly charged krypton ions
Shah, Chintan; Bernitt, Sven; Dobrodey, Stepan; Steinbrügge, René; Beilmann, Christian; Amaro, Pedro; Hu, Zhimin; Weber, Sebastian; Fritzsche, Stephan; Surzhykov, Andrey; López-Urrutia, José R Crespo; Tashenov, Stanislav
2016-01-01
We report linear polarization measurements of x rays emitted due to dielectronic recombination into highly charged krypton ions. The ions in the He-like through O-like charge states were populated in an electron beam ion trap with the electron beam energy adjusted to recombination resonances in order to produce $K\\alpha$ x rays. The x rays were detected with a newly developed Compton polarimeter using a beryllium scattering target and 12 silicon x-ray detector diodes sampling the azimuthal distribution of the scattered x rays. The extracted degrees of linear polarization of several dielectronic recombination transitions agree with results of relativistic distorted--wave calculations. We also demonstrate a high sensitivity of the polarization to the Breit interaction, which is remarkable for a medium-$Z$ element like krypton. The experimental results can be used for polarization diagnostics of hot astrophysical and laboratory fusion plasmas.
Narita, Norio; Hirano, Teruyuki; Fukui, Akihiko; Hori, Yasunori; Sanchis-Ojeda, Roberto; Winn, Joshua N.; Ryu, Tsuguru; Kusakabe, Nobuhiko; Kudo, Tomoyuki; Onitsuka, Masahiro; Delrez, Laetitia; Gillon, Michael; Jehin, Emmanuel; McCormac, James; Holman, Matthew; Izumiura, Hideyuki; Takeda, Yoichi; Tamura, Motohide; Yanagisawa, Kenshi
2015-12-01
K2-19 (EPIC201505350) is an interesting planetary system in which two transiting planets with radii ∼7 R⊕ (inner planet b) and ∼4 R⊕ (outer planet c) have orbits that are nearly in a 3:2 mean-motion resonance. Here, we present results of ground-based follow-up observations for the K2-19 planetary system. We have performed high-dispersion spectroscopy and high-contrast adaptive-optics imaging of the host star with the HDS and HiCIAO on the Subaru 8.2 m telescope. We find that the host star is a relatively old (≥8 Gyr) late G-type star (Teff ∼ 5350 K, Ms ∼ 0.9 M⊙, and Rs ∼ 0.9 R⊙). We do not find any contaminating faint objects near the host star that could be responsible for (or dilute) the transit signals. We have also conducted transit follow-up photometry for the inner planet with KeplerCam on the FLWO 1.2 m telescope, TRAPPISTCAM on the TRAPPIST 0.6 m telescope, and MuSCAT on the OAO 1.88 m telescope. We confirm the presence of transit timing variations (TTVs), as previously reported by Armstrong and coworkers. We model the observed TTVs of the inner planet using the synodic chopping formulae given by Deck & Agol. We find two statistically indistinguishable solutions for which the period ratios (Pc/Pb) are located slightly above and below the exact 3:2 commensurability. Despite the degeneracy, we derive the orbital period of the inner planet Pb ∼ 7.921 days and the mass of the outer planet Mc ∼ 20 M⊕. Additional transit photometry (especially for the outer planet) as well as precise radial-velocity measurements would be helpful to break the degeneracy and to determine the mass of the inner planet.
High-resolution submillimeter and near-infrared studies of the transition disk around Sz 91
Tsukagoshi, Takashi; Momose, Munetake [College of Science, Ibaraki University, Bunkyo 2-1-1, Mito 310-8512 (Japan); Hashimoto, Jun [Department of Physics and Astronomy, The University of Oklahoma, 440 West Brooks Street, Norman, OK 73019 (United States); Kudo, Tomoyuki; Saito, Masao; Ohashi, Nagayoshi; Kawabe, Ryohei; Akiyama, Eiji [National Astronomical Observatory Japan (NAOJ), Osawa 2-21-1, Mitaka, Tokyo 181-8588 (Japan); Andrews, Sean; Wilner, David [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Kitamura, Yoshimi [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, Yoshinodai 3-1-1, Sagamihara, Kanagawa 229-8510 (Japan); Abe, Lyu [Lboratoire Lagrange (UMR 7293), Université de Nice-Sophia Antipolis, CNRS, Observatoire de la Côte d' Azur, 28 avenue Valrose, F-06108 Nice Cedex 2 (France); Brandner, Wolfgang [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Brandt, Timothy D. [Department of Astrophysical Sciences, Princeton University, Peyton Hall, Ivy Lane, Princeton, NJ 08544 (United States); Carson, Joseph [Department of Physics and Astronomy, College of Charleston, 58 Coming Street, Charleston, SC 29424 (United States); Currie, Thayne [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street M5S 3H4, Toronto, Ontario (Canada); Egner, Sebastian E.; Guyon, Olivier [Subaru Telescope, 650 North A' ohoku Place, Hilo, HI 96720 (United States); Goto, Miwa [Universitäts-Sternwarte München, Ludwig-Maximilians-Universität, Scheinerstr. 1, D-81679 München (Germany); Grady, Carol, E-mail: ttsuka@mx.ibaraki.ac.jp [Exoplanets and Stellar Astrophysics Laboratory, Code 667, Goddard Space Flight Center, Greenbelt, MD 20771 (United States); and others
2014-03-10
To reveal the structures of a transition disk around a young stellar object in Lupus, Sz 91 , we have performed aperture synthesis 345 GHz continuum and CO(3-2) observations with the Submillimeter Array (∼1''-3'' resolution) and high-resolution imaging of polarized intensity at the K{sub s} -band using the HiCIAO instrument on the Subaru Telescope (0.''25 resolution). Our observations successfully resolved the inner and outer radii of the dust disk to be 65 and 170 AU, respectively, which indicates that Sz 91 is a transition disk source with one of the largest known inner holes. The model fitting analysis of the spectral energy distribution reveals an H{sub 2} mass of 2.4 × 10{sup –3} M {sub ☉} in the cold (T < 30 K) outer part at 65 AU
Liu, Kai; Cheng, Chun; Cheng, Zhenting; Wang, Kevin; Ramesh, Ramamoorthy; Wu, Junqiao
2012-12-12
Various mechanisms are currently exploited to transduce a wide range of stimulating sources into mechanical motion. At the microscale, simultaneously high amplitude, high work output, and high speed in actuation are hindered by limitations of these actuation mechanisms. Here we demonstrate a set of microactuators fabricated by a simple microfabrication process, showing simultaneously high performance by these metrics, operated on the structural phase transition in vanadium dioxide responding to diverse stimuli of heat, electric current, and light. In both ambient and aqueous conditions, the actuators bend with exceedingly high displacement-to-length ratios up to 1 in the sub-100 μm length scale, work densities over 0.63 J/cm(3), and at frequencies up to 6 kHz. The functionalities of actuation can be further enriched with integrated designs of planar as well as three-dimensional geometries. Combining the superior performance, high durability, diversity in responsive stimuli, versatile working environments, and microscale manufacturability, these actuators offer potential applications in microelectromechanical systems, microfluidics, robotics, drug delivery, and artificial muscles.
Stringer, Kate; Kerpelman, Jennifer; Skorikov, Vladimir
2012-09-01
Preparing for an adult career and incorporating a career into one's identity is a key task during the transition to adulthood (Erikson, 1968), and completing developmental tasks is considered a major factor in adjustment (Havinghurst, 1972). Previous research has established associations between overall career preparation in high school and adjustment soon after high school graduation. Differences in the developmental patterns of career preparation dimensions (indecision, planning, and confidence) following high school graduation also have been found. The current study builds on that prior work by examining associations between changes in the dimensions of career preparation and changes in 3 aspects of adjustment (emotional stability, social adaptation, and self-actualization) from 12th grade in high school to 4.5 years after high school graduation in a sample of 454 youths, using latent growth curve analysis. Results showed that career preparation both predicts and is predicted by adjustment. Career confidence was a particularly important predictor of adjustment. Both 12th grade career confidence and changes in confidence over time predicted changes in adjustment and adjustment 4.5 years post-high school. In an alternative model, an increase in emotional stability was predictive of higher career confidence and lower indecision. Results are discussed in the context of developmental theories and the notion that adjustment and career are interrelated processes.
Santerne, A; Deleuil, M; Havel, M; Correia, A C M; Almenara, J -M; Alonso, R; Arnold, L; Barros, S C C; Behrend, R; Bernasconi, L; Boisse, I; Bonomo, A S; Bouchy, F; Bruno, G; Damiani, C; Díaz, R F; Gravallon, D; Guillot, T; Labrevoir, O; Montagnier, G; Moutou, C; Rinner, C; Santos, N C; Abe, L; Audejean, M; Bendjoya, P; Gillier, C; Gregorio, J; Martinez, P; Michelet, J; Montaigut, R; Poncy, R; Rivet, J -P; Rousseau, G; Roy, R; Suarez, O; Vanhuysse, M; Verilhac, D
2014-01-01
In this paper we report a new transiting warm giant planet: KOI-1257 b. It was first detected in photometry as a planet-candidate by the $\\textit{Kepler}$ space telescope and then validated thanks to a radial velocity follow-up with the SOPHIE spectrograph. It orbits its host star with a period of 86.647661 d $\\pm$ 3 s and a high eccentricity of 0.772 $\\pm$ 0.045. The planet transits the main star of a metal-rich, relatively old binary system with stars of mass of 0.99 $\\pm$ 0.05 Msun and 0.70 $ \\pm $ 0.07 Msun for the primary and secondary (respectively). This binary system is constrained thanks to a self-consistent modelling of the $\\textit{Kepler}$ transit light curve, the SOPHIE radial velocities, line bisector and full-width half maximum (FWHM) variations as well as the spectral energy distribution. However, future observations are needed to confirm it. The PASTIS fully-Bayesian software was used to validate the nature of the planet and to determine which star of the binary system is the transit host. By...
Choudhuri, Indrani; Kumar, Sourabh; Mahata, Arup; Rawat, Kuber Singh; Pathak, Biswarup
2016-07-01
High-temperature ferromagnetic materials with planar surfaces are promising candidates for spintronics applications. Using state-of-the-art density functional theory (DFT) calculations, transition metal (TM = Cr, Mn, and Fe) incorporated graphitic carbon nitride (TM@gt-C3N4) systems are investigated as possible spintronics devices. Interestingly, ferromagnetism and half-metallicity were observed in all of the TM@gt-C3N4 systems. We find that Cr@gt-C3N4 is a nearly half-metallic ferromagnetic material with a Curie temperature of ~450 K. The calculated Curie temperature is noticeably higher than other planar 2D materials studied to date. Furthermore, it has a steel-like mechanical stability and also possesses remarkable dynamic and thermal (500 K) stability. The calculated magnetic anisotropy energy (MAE) in Cr@gt-C3N4 is as high as 137.26 μeV per Cr. Thereby, such material with a high Curie temperature can be operated at high temperatures for spintronics devices.High-temperature ferromagnetic materials with planar surfaces are promising candidates for spintronics applications. Using state-of-the-art density functional theory (DFT) calculations, transition metal (TM = Cr, Mn, and Fe) incorporated graphitic carbon nitride (TM@gt-C3N4) systems are investigated as possible spintronics devices. Interestingly, ferromagnetism and half-metallicity were observed in all of the TM@gt-C3N4 systems. We find that Cr@gt-C3N4 is a nearly half-metallic ferromagnetic material with a Curie temperature of ~450 K. The calculated Curie temperature is noticeably higher than other planar 2D materials studied to date. Furthermore, it has a steel-like mechanical stability and also possesses remarkable dynamic and thermal (500 K) stability. The calculated magnetic anisotropy energy (MAE) in Cr@gt-C3N4 is as high as 137.26 μeV per Cr. Thereby, such material with a high Curie temperature can be operated at high temperatures for spintronics devices. Electronic supplementary information (ESI
High field nuclear magnetic resonance in transition metal substituted BaFe2As2
Garitezi, T. M.; Lesseux, G. G.; Rosa, P. F. S.; Adriano, C.; Reyes, A. P.; Kuhns, P. L.; Pagliuso, P. G.; Urbano, R. R.
2014-05-01
We report high field 75As nuclear magnetic resonance (NMR) measurements on Co and Cu substituted BaFe2As2 single crystals displaying same structural/magnetic transition T0≃128 K. From our anisotropy studies in the paramagnetic state, we strikingly found virtually identical quadrupolar splitting and consequently the quadrupole frequency νQ≃2.57(1) MHz for both compounds, despite the claim that each Cu delivers 2 extra 3d electrons in BaFe2As2 compared to Co substitution. These results allow us to conclude that a subtle change in the crystallographic structure, particularly in the Fe-As tetrahedra, must be the most probable tuning parameter to determine T0 in this class of superconductors rather than electronic doping. Furthermore, our NMR data around T0 suggest coexistence of tetragonal/paramagnetic and orthorhombic/antiferromagnetic phases between the structural and the spin density wave magnetic phase transitions, similarly to what was reported for K-doped BaFe2As2 [Urbano et al., Phys. Rev. Lett. 105, 107001 (2010)].
High-Resolution Submillimeter and Near-Infrared Studies of the Transition Disk around Sz 91
Tsukagoshi, Takashi; Hashimoto, Jun; Kudo, Tomoyuki; Andrews, Sean; Saito, Masao; Kitamura, Yoshimi; Ohashi, Nagayoshi; Wilner, David; Kawabe, Ryohei; Abe, Lyu; Akiyama, Eiji; Brandner, Wolfgang; Brandt, Timothy D; Carson, Joseph; Currie, Thayne; Egner, Sebastian E; Goto, Miwa; Grady, Carol; Guyon, Olivier; Hayano, Yutaka; Hayashi, Masahiko; Hayashi, Saeko; Henning, Thomas; Hodapp, Klaus W; Ishii, Miki; Iye, Masanori; Janson, Markus; Kandori, Ryo; Knapp, Gillian R; Kusakabe, Nobuhiko; Kuzuhara, Masayuki; Kwon, Jungmi; McElwain, Mike; Matsuo, Taro; Mayama, Satoshi; Miyama, Shoken; Morino, Jun-ichi; Moro-Martín, Amaya; Nishimura, Tetsuro; Pyo, Tae-Soo; Serabyn, Eugene; Suenaga, Takuya; Suto, Hiroshi; Suzuki, Ryuji; Takahashi, Yasuhiro; Takami, Hideki; Takami, Michihiro; Takato, Naruhisa; Terada, Hiroshi; Thalmann, Christian; Tomono, Daigo; Turner, Edwin L; Usuda, Tomonori; Watanabe, Makoto; Wisniewski, John P; Yamada, Toru; Tamura, Motohide
2014-01-01
To reveal the structures of a transition disk around a young stellar object in Lupus, Sz 91, we have performed aperture synthesis 345 GHz continuum and CO(3--2) observations with the Submillimeter Array ($\\sim1\\arcsec$--3$\\arcsec$ resolution), and high-resolution imaging of polarized intensity at the $K_s$-band by using the HiCIAO instrument on the Subaru Telescope ($0\\farcs25$ resolution). Our observations successfully resolved the inner and outer radii of the dust disk to be 65 AU and 170 AU, respectively, which indicates that Sz 91 is a transition disk source with one of the largest known inner holes. The model fitting analysis of the spectral energy distribution reveals an H$_2$ mass of $2.4\\times10^{-3}$ $M_\\sun$ in the cold ($T3\\times10^{-9}$ $M_\\sun$) of hot ($T\\sim$180 K) dust possibly remains inside the inner hole of the disk. The structure of the hot component could be interpreted as either an unresolved self-luminous companion body (not directly detected in our observations) or a narrow ring inside...
The additional phase transition of DPPC monolayers at high surface pressure confirmed by GIXD study
Shen, Chen; Serna, Jorge B. de la; Struth, Bernd
Pulmonary surfactant forms the alveolar monolayer at the air/aqueous interface within the lung. During the breathing process, the surface pressure periodically varies from ~40mN/m up to ~70mN/m. The film is mechanically stable during this rapid and reversible expansion. The monolayer consists...... of ~90% of lipid with 10% integrated proteins. Among its lipid compounds, di- palmitoyl-phosphatidylcholine (DPPC) dominates (~45wt%). No other lipid but DPPC was so far reported to be compressible to very high surface pressure (~70mN/m) before its monolayer collapsed. Its liquid......-expanded/liquid-condensed (LE/LC) phase transition at ~10mN/m is well known. Here we present results from Langmuir isotherm measurements that evidence a so far not documented second phase transition at elevated surface pressure Π (~50mN/m). The varying lateral structures of the monolayer at 8mN/m, 20mN/m, 30mN/m, 40mN/m, 50m...
High pressure phase transition in Zr–Ni binary system: A first principle study
Mukherjee, Debojyoti, E-mail: debojyoti@barc.gov.in; Sahoo, B.D.; Joshi, K.D.; Gupta, Satish C.
2015-11-05
Total energy calculations have been performed on zirconium–nickel (with 50% nickel by atom) binary system to examine its structural stability under high pressure. The evolutionary structure search method in conjunction with density functional theory based projector augmented wave (PAW) method suggested that at zero pressure an orthorhombic phase with space group symmetry Cmcm is the lowest enthalpy structure, in agreement with the experiments. Further, it has been predicted that upon compression at ∼10 GPa, this structure will transform to a lower symmetry triclinic phase (space group P-1) which will remain stable up to ∼50 GPa, the maximum pressure of the present calculations. To support the results of our static lattice calculations, we performed lattice dynamic calculations also on Cmcm and P-1 structures. Lattice dynamic calculations correctly showed that at ambient condition the Cmcm phase is dynamically stable. Further, these calculations carried around the Cmcm to P-1 transition pressure predicted that the Cmcm phase will become unstable dynamically due to failure of acoustic zone boundary phonons, suggesting that the Cmcm to P-1 transition is phonon driven. For P-1 phase our calculations showed that this structure is dynamically stable not only at high pressures but also at ambient condition, indicating that at pressure lower than 10 GPa this phase could be a metastable structure. Further, we have calculated the elastic constants for both the phase at various pressures. - Highlights: • Pressure induced phonon driven orthorhombic to triclinic phase transformations in Zr–Ni binary system at ∼10 GPa. • Elastic and lattice dynamic stability of orthorhombic and triclinic phase. • Exploitation of evolutionary structure searching method to explore high pressure phase of Zr–Ni material.
Banerjee, Debasis, E-mail: debasis.banerjee@stonybrook.edu [Department of Chemistry, Stony Brook University, Stony Brook 11794-3400 (United States); Plonka, Anna M. [Department of Geosciences, Stony Brook University, Stony Brook 11794-2100 (United States); Kim, Sun Jin [Nano-Materials Research Center, Korea Institute of Science and Technology, P.O. Box 131, Cheongryang, Seoul 130-650 (Korea, Republic of); Xu Wenqian [Department of Geosciences, Stony Brook University, Stony Brook 11794-2100 (United States); Parise, John B. [Department of Chemistry, Stony Brook University, Stony Brook 11794-3400 (United States); Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11790-2100 (United States)
2013-01-15
A three dimensional lithium hydronium sulfate LiSO{sub 4}{center_dot}H{sub 3}O [1], [space group Pna2{sub 1}a=8.7785(12) A, b=9.1297(12) A, c=5.2799(7) A, V=423.16(10) A{sup 3}] was synthesized via solvothermal methods using 1,5-naphthalenedisulfonic acid (1,5-NSA) as the source of sulfate ions. The structure of [1], determined by single crystal X-ray diffraction techniques, consists of corner sharing LiO{sub 4} and SO{sub 4} tetrahedra, forming an anionic 3-D open framework that is charge balanced by hydronium ions positioned within channels running along [001] and forming strong H-bonding with the framework oxygen atoms. Compound [1] undergoes two reversible phase transitions, involving reorientation of SO{sub 4}{sup 2-} ions at pressures of approximately 2.5 and 5 GPa at room temperature, as evident from characteristic discontinuous frequency drops in the {nu}{sub 1} mode of the Raman spectra. Additionally, compound [1] forms dense {beta}-lithium sulfate at 300 Degree-Sign C, as evident from temperature dependent powder XRD and combined reversible TGA-DSC experiments. - Graphical abstract: Left: View of corner-shared LiO{sub 4} and SO{sub 4} tetrahedra along [001] direction with hydronium ions situated in the channels. Right: (a) Photograph of the loaded DAC (b) Ambient pressure Raman spectrum of compound [1] (c) Evolution of the {nu}{sub 1} mode with the increasing and decreasing pressure indicating transitions to high-pressure phases at {approx}2.5 (red curves) and {approx}5 GPa (blue curves) and at {approx}3.5 GPa upon decompression. Highlights: Black-Right-Pointing-Pointer A 3-D lithium hydronium sulfate is synthesized by solvothermal methods. Black-Right-Pointing-Pointer Two high pressure phase transition occurs due to rotation of sulfate groups. Black-Right-Pointing-Pointer The framework undergoes a high temperature structural transformation, to form {beta}-Li{sub 2}SO{sub 4} phase.
New perspectives in vacuum high voltage insulation. I. The transition to field emission
Diamond, W T
1998-01-01
Vacuum high-voltage insulation has been investigated for many years. Typically, electrical breakdown occurs between two broad-area electrodes at electric fields 100-1000 times lower than the breakdown field (about 5000 MV/m) between a well-prepared point cathode and a broad-area anode. Explanations of the large differences remain unsatisfactory, usually evoking field emission from small projections on the cathode that are subject to higher peak fields. The field emission then produces secondary effects that lead to breakdown. This article provides a significant resolution to this long standing problem. Field emission is not present at all fields, but typically starts after some process occurs at the cathode surface. Three effects have been identified that produce the transition to field emission: work function changes; mechanical changes produced by the strong electrical forces on the electrode surfaces; and gas desorption from the anode with sufficient density to support an avalanche discharge. Material adso...
Phase transitions and gluodynamics in 2-colour matter at high density
Boz, Tamer; Fister, Leonard; Mehta, Dhagash; Skullerud, Jon-Ivar
2013-01-01
We investigate 2-colour QCD with 2 flavours of Wilson fermion at nonzero temperature T and quark chemical potential mu. From temperature scans at fixed mu we find that the critical temperature for the superfluid to normal transition depends only very weakly on mu above the onset chemical potential, while the deconfinement crossover temperature is clearly decreasing with mu. We find indications of a region of superfluid but deconfined matter at high mu and intermediate T. The static quark potential determined from the Wilson loop is found to exhibit a 'string tension' that increases at large mu in the 'deconfined' region. The electric (longitudinal) gluon propagator in Landau gauge becomes strongly screened with increasing temperature and chemical potential. The magnetic (transverse) gluon shows little sensitivity to temperature, and exhibits a mild enhancement at intermediate mu before becoming suppressed at large mu.
Performance of the ATLAS Transition Radiation Tracker Readout with High Energy Collisions at the LHC
Wagner, P; The ATLAS collaboration
2011-01-01
The ATLAS Transition Radiation Tracker is the outermost of the three subsystems of the ATLAS Inner Detector. It contributes significantly to the precision of the momentum measurement of charged particles and to the identification of electrons. On the TRT front end electronics this is realized by discriminating the straw signal against two separate thresholds: a low one for tracking and a high one for electron identification. The electronics can also be configured to provide a trigger signal, which has been utilized to build a cosmic ray trigger that became extremely useful for the TRT as well as other subdetectors during ATLAS commissioning. This note will describe the TRT readout electronics and data acquisition, with emphasis on the experience gained during the first years of operation.
PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE
J.L.ZHU; L.C.CHEN; R.C.YU; F.Y.LI; J.LIU; C.Q.JIN
2001-01-01
In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca3Mn2O7 under pressures up to 35 GPa have been Performed by using diamond anvil cell with synchrotron radiation.The results show that the structure of layered perovskite-like manganate Ca3Mn2O7 is unstable under pressure due to the easy compression of NaCl-type blocks.The structure of Ca3Mn2O7 underwent two phase transitions under pressures in the range of 0-35GPa.One was at about 1.3GPa with the crystal structure changing from tetragonalt go orthorhombic.The other was at about 9.5GPa with the crystal structure changing form orthorhombic back to another tetragonal.
Jansen, Thomas L. C.
2014-01-01
The effect of solvent polarizability and multipole effects on the amide I vibrational spectra of a peptide unit is investigated. Four molecular dynamics force fields of increasing complexity for the solvent are used to model both the linear absorption and two-dimensional infrared spectra. It is obse
High-pressure phase of brucite stable at Earth's mantle transition zone and lower mantle conditions
Hermann, Andreas; Mookherjee, Mainak
2016-12-01
We investigate the high-pressure phase diagram of the hydrous mineral brucite, Mg(OH)2, using structure search algorithms and ab initio simulations. We predict a high-pressure phase stable at pressure and temperature conditions found in cold subducting slabs in Earth’s mantle transition zone and lower mantle. This prediction implies that brucite can play a much more important role in water transport and storage in Earth’s interior than hitherto thought. The predicted high-pressure phase, stable in calculations between 20 and 35 GPa and up to 800 K, features MgO6 octahedral units arranged in the anatase–TiO2 structure. Our findings suggest that brucite will transform from a layered to a compact 3D network structure before eventual decomposition into periclase and ice. We show that the high-pressure phase has unique spectroscopic fingerprints that should allow for straightforward detection in experiments. The phase also has distinct elastic properties that might make its direct detection in the deep Earth possible with geophysical methods.
Hydrogen detonation and detonation transition data from the High-Temperature Combustion Facility
Ciccarelli, G.; Boccio, J.L.; Ginsberg, T.; Finfrock, C. [Brookhaven National Lab., Upton, NY (United States)] [and others
1996-03-01
The BNL High-Temperature Combustion Facility (HTCF) is an experimental research tool capable of investigating the effects of initial thermodynamic state on the high-speed combustion characteristic of reactive gas mixtures. The overall experimental program has been designed to provide data to help characterize the influence of elevated gas-mixture temperature (and pressure) on the inherent sensitivity of hydrogen-air-steam mixtures to undergo detonation, on the potential for flames accelerating in these mixtures to transition into detonations, on the effects of gas venting on the flame-accelerating process, on the phenomena of initiation of detonations in these mixtures by jets of hot reactant products, and on the capability of detonations within a confined space to transmit into another, larger confined space. This paper presents results obtained from the completion of two of the overall test series that was designed to characterize high-speed combustion phenomena in initially high-temperature gas mixtures. These two test series are the intrinsic detonability test series and the deflagration-to-detonation (DDT) test series. A brief description of the facility is provided below.
Eungard, D.; Kent, A. J.; Grunder, A.
2012-12-01
An understanding of the controls on silicic volcanism within convergent margin environments has important implications for crustal growth and modification during subduction. In the central Oregon Cascade range silicic volcanism has generally decreased in both size and frequency of eruptions over the last ~40 million years. Despite the general decrease, an increased abundance of silicic volcanism is observed from 5-8 Ma, corresponding to the transition from the Western Cascades to High Cascades volcanic regime. In order to constrain the processes that lead to formation of silicic magmas at this time we have studied the petrogenesis of two extensive and well-preserved ash-flow tuffs from this time period hosted within the Deschutes Formation of central Oregon. The Lower Bridge (LBT) and McKenzie Canyon Tuffs (MCT) produced ~5 km3 each of magma of predominantly rhyolitic and basaltic andesite composition. Both include large volumes of rhyolite, although the MCT also contains a significant mafic component. Both tuffs are normally zoned with mafic ejecta concentrated upsection. Geothermometry also shows that the rhyolitic component in both magmas was relatively hot (~830 degrees C). Distribution, thickness, welding facies, and paleoflow indications from imbricated pumice suggest that both eruptions derive from the same source region, probably near the present day Three Sisters complex, and were likely produced from the same magmatic system. Variations in major and trace element geochemistry also indicate that the magmas involved in both eruptions were produced through fractionation and mixing of mantle melts with a silicic partial melt derived from melting of mafic crust. Production of these voluminous silicic magmas required both crystal fractionation of incoming melts from the mantle, together with mixing with silicic partial melts derived from relatively hot mafic crust. This observation provides a potential explanation for the decrease in silicic melt production
High valence transition metal doped strontium ferrites for electrode materials in symmetrical SOFCs
Fernández-Ropero, A. J.; Porras-Vázquez, J. M.; Cabeza, A.; Slater, P. R.; Marrero-López, D.; Losilla, E. R.
2014-03-01
In this paper we report the successful incorporation of high valence transition metals, i.e. Cr, Mo, W, V, Nb, Ti, Zr into SrFeO3-δ perovskite materials, for potential applications as symmetric electrode materials for Solid Oxide Fuel Cells. It is observed that the doping leads to a change from an orthorhombic structure (with partial ordering of oxygen vacancies) to a cubic one (with the oxygen vacancies disordered). These electrodes are chemically compatibles with Ce0.9Gd0.1O1.95 (CGO) and La0.8Sr0.2Ga0.8Mg0.2O3-δ (LSGM) electrolytes at least up to 1100 °C. Thermal annealing experiments in 5% H2-Ar at 800 °C also show the stability of the doped samples in reducing conditions, suggesting that they may be suitable for both cathode and anode applications. In contrast, reduction of undoped SrFeO3-δ leads to the observation of extra peaks indicating the formation of the brownmillerite structure with the associated oxygen vacancy ordering. The performance of these electrodes was examined on dense electrolyte pellets of CGO and LSGM in air and 5% H2-Ar. In both atmospheres an improvement in the area specific resistances (ASR) values is observed for the doped samples with respect to the parent compound. Thus, the results show that high valence transition metals can be incorporated into SrFeO3-δ-based materials and can have a beneficial effect on the electrochemical performance, making them potentially suitable for use as cathode and anode materials in symmetrical SOFC.
Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions
Nandy, D. K.
2016-11-01
We have carried out an extensive investigation of various spectroscopic properties of highly charged inert-gas ions using a relativistic coupled-cluster method through a one-electron detachment procedure. In particular, we have calculated the atomic states 2 s22 p53/2 2P, 2 s22 p51/2 2P, and 2 s 2 p61/2 2S in F-like inert-gas ions; 3 s23 p53/2 2P, 3 s23 p51/2 2P, and 3 s 3 p61/2 2S states in Cl-like Kr, Xe, and Rn; and 4 s24 p53/2 2P, 4 s24 p51/2 2P, and 4 s 4 p61/2 2S states in Br-like Xe and Rn. Starting from a single-reference Dirac-Hartree-Fock wave function, we construct our exact atomic states by including the dynamic correlation effects in an all-order perturbative fashion. Employing this method, we estimate the ionization potential energies of three low-lying orbitals present in their respective closed-shell configurations. Since the considered highly charged inert-gas ions exhibit huge relativistic effects, we have taken into account the corrections due to Breit interaction as well as from the dominant quantum electrodynamic correction such as vacuum polarization and self-energy effects in these systems. Using our calculated relativistic atomic wave functions and energies, we accurately determine various transition properties such as wavelengths, line strengths, oscillator strengths, transition probabilities, and lifetimes of the excited states.
Comparing High-speed Transition Region Jets in Coronal Holes and Quiet Sun Regions
Tate Arbacher, Rebecca; Tian, Hui; Cranmer, Steven R.
2015-01-01
The complicated energy transfer and plasma motion in the transition region, between the photosphere and the corona, may play a significant role in the formation and acceleration of the solar wind. New observations from the Interface Region Imaging Spectrograph (IRIS) have revealed unprecedented levels of detail in this less-studied region. Coronal holes in particular are a likely source of solar wind material, though the formation and acceleration mechanisms of the fast solar wind are still largely unknown. In our previous work, we have reported the prevalence of small-scale high-speed (~80-250 km/s) jets with transition region temperatures from the network structures of coronal holes. Here we undertake a comparative study of these short-lived episodic network jets in a coronal hole region and a quiet sun region using IRIS sit-and-stare slit-jaw imaging in the 1330 Angstrom (C II) passband. The pointing coordinates, exposure time, observing cadence, and field of view of both observations are all identical. Our preliminary study suggests that the speeds and lengths of the network jets may differ between quiet sun and coronal hole regions. The quiet sun region exhibits many compact bright regions with sizes of 5-10 arcseconds which produce very few jets. The jets that do exist tend to propagate at much slower speeds over smaller distances than their coronal hole counterparts. Comparatively, in the coronal hole, such compact regions are almost absent and all network patches are permeated by the intermittent high-reaching jets. Such a difference suggests that magnetic loops are much smaller in the coronal hole and the network jets are produced at low heights. The recurrence frequency seems to be higher in the coronal hole region, with many of the isolated quiet sun region jets demonstrating curved trajectories.This work is supported under contract 8100002705 from Lockheed-Martin to SAO and by the NSF-REU solar physics program at SAO, grant number AGS-1263241.
Forbidden atomic transitions driven by an intensity-modulated laser trap.
Moore, Kaitlin R; Anderson, Sarah E; Raithel, Georg
2015-01-20
Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes the multipole-field interaction, which leads to established spectroscopic selection rules, and an interaction that is quadratic in the field, which is not often employed. However, spectroscopy using the quadratic (ponderomotive) interaction promises two significant advantages over spectroscopy using the multipole-field interaction: flexible transition rules and vastly improved spatial addressability of the quantum system. Here we demonstrate ponderomotive spectroscopy by using optical-lattice-trapped Rydberg atoms, pulsating the lattice light and driving a microwave atomic transition that would otherwise be forbidden by established spectroscopic selection rules. This ability to measure frequencies of previously inaccessible transitions makes possible improved determinations of atomic characteristics and constants underlying physics. The spatial resolution of ponderomotive spectroscopy is orders of magnitude better than the transition frequency would suggest, promising single-site addressability in dense particle arrays for quantum computing applications.
Maciejewski, G; Nettelmann, N; Seeliger, M; Adam, Ch; Nowak, G; Neuhaeuser, R
2011-01-01
The WASP-10 planetary system is intriguing because different values of radius have been reported for its transiting exoplanet. The host star exhibits activity in terms of photometric variability, which is caused by the rotational modulation of the spots. Moreover, a periodic modulation has been discovered in transit timing of WASP-10 b, which could be a sign of an additional body perturbing the orbital motion of the transiting planet. We attempt to refine the physical parameters of the system, in particular the planetary radius, which is crucial for studying the internal structure of the transiting planet. We also determine new mid-transit times to confirm or refute observed anomalies in transit timing. We acquired high-precision light curves for four transits of WASP-10 b in 2010. Assuming various limb-darkening laws, we generated best-fit models and redetermined parameters of the system. The prayer-bead method and Monte Carlo simulations were used to derive error estimates. Three transit light curves exhibi...
Resonant x-ray scattering in 3d-transition-metal oxides: Anisotropy and charge orderings
Subías, G.; García, J.; Blasco, J.; Herrero-Martín, J.; Sánchez, M. C.
2009-11-01
The structural, magnetic and electronic properties of transition metal oxides reflect in atomic charge, spin and orbital degrees of freedom. Resonant x-ray scattering (RXS) allows us to perform an accurate investigation of all these electronic degrees. RXS combines high-Q resolution x-ray diffraction with the properties of the resonance providing information similar to that obtained by atomic spectroscopy (element selectivity and a large enhancement of scattering amplitude for this particular element and sensitivity to the symmetry of the electronic levels through the multipole electric transitions). Since electronic states are coupled to the local symmetry, RXS reveals the occurrence of symmetry breaking effects such as lattice distortions, onset of electronic orbital ordering or ordering of electronic charge distributions. We shall discuss the strength of RXS at the K absorption edge of 3d transition-metal oxides by describing various applications in the observation of local anisotropy and charge disproportionation. Examples of these resonant effects are (I) charge ordering transitions in manganites, Fe3O4 and ferrites and (II) forbidden reflections and anisotropy in Mn3+ perovskites, spinel ferrites and cobalt oxides. In all the studied cases, the electronic (charge and/or anisotropy) orderings are determined by the structural distortions.
Shamardin V.N.
2012-03-01
Full Text Available The questions of modeling of highly qualified football team training in the transitional periods of the year cycle of training are given in this article. It is shown that usage of various exercises aimed at integrated development of motor qualities helps to maintain a gradual increase physical and functional training. Data for the study were pedagogical monitoring in the highly qualified football team of "Dnipro" Dnepropetrovsk year cycle preparation in the seasons of 2002 - 2011. It is established that the implementation of individual plans in the transition period allows players to carry high training loads during the preparatory period without a sharp decline in their performance.
High-pressure phase transition and properties of spinel ZnMn2O4
Åbrink, S.; Waskowska, A.; Gerward, Leif
1999-01-01
X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high-pressure beh...... of the Mn3+ ions is moved to the d(x2-y2) level, which is revealed as an abrupt fall of observed magnitude of the distortion of the bulk crystal above P-c. [S0163-1829(99)08341-1].......X-ray photoelectron spectroscopy, magnetic measurements, and a single-crystal x-ray structure determination at normal pressure have shown that Jahn-Teller active manganese ions in ZnMn2O4 are present in one valence state (III) on the octahedral sites of the spinel structure. The high......-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down...
Ultra-high geomagnetic field reversal frequency around the Precambrian-Cambrian transition ?
Pavlov, V.; Gallet, Y.; Shatsillo, A.; Kouznetsov, N.
2014-12-01
Magnetostratigraphic investigations carried out in Siberia have shown that the middle Cambrian was marked by an extremely high geomagnetic field reversal frequency of about 7 to 10 rev./Myr. The results available for the Lower Cambrian are more uncertain but they may indicate an even higher reversal frequency, which could thus reveal a very unstable nature of the geomagnetic field at this time. Recent magnetostratigraphic results also suggest that the geomagnetic reversal frequency has been extraordinarily high at the end of the Precambrian, thus in agreement with the Lower Cambrian data. We will present a review of these data, and will further describe new results we have obtained from Late Ediacaran-Nemakit-Daldynian sections of the south-western Siberian platform (Enisey range, Teya and Chapa rivers valleys). All these data provide consistent evidences for an ultra-high geomagnetic field reversal frequency, and thus for the exceptional nature of the geomagnetic field, around the Precambrian-Cambrian transition. We will also discuss a number of hypotheses which could explain a temporary destabilization of the geomagnetic field.
An unusual isotope effect in a high-transition-temperature superconductor.
Gweon, G-H; Sasagawa, T; Zhou, S Y; Graf, J; Takagi, H; Lee, D-H; Lanzara, A
2004-07-08
In conventional superconductors, the electron pairing that allows superconductivity is caused by exchange of virtual phonons, which are quanta of lattice vibration. For high-transition-temperature (high-T(c)) superconductors, it is far from clear that phonons are involved in the pairing at all. For example, the negligible change in T(c) of optimally doped Bi2Sr2CaCu2O8+delta (Bi2212; ref. 1) upon oxygen isotope substitution (16O --> 18O leads to T(c) decreasing from 92 to 91 K) has often been taken to mean that phonons play an insignificant role in this material. Here we provide a detailed comparison of the electron dynamics of Bi2212 samples containing different oxygen isotopes, using angle-resolved photoemission spectroscopy. Our data show definite and strong isotope effects. Surprisingly, the effects mainly appear in broad high-energy humps, commonly referred to as 'incoherent peaks'. As a function of temperature and electron momentum, the magnitude of the isotope effect closely correlates with the superconducting gap--that is, the pair binding energy. We suggest that these results can be explained in a dynamic spin-Peierls picture, where the singlet pairing of electrons and the electron-lattice coupling mutually enhance each other.
Gevorgyan, Samvel G.; Kiss, Takanobu; Ohyama, Tomokazu; Inoue, Masayoshi; Movsisyan, Artur A.; Shirinyan, Hovsep G.; Gevorgyan, Vardan S.; Matsushita, Teruo; Takeo, Masakatsu
2001-12-01
The improved `LC-resonator' technique (the open-flat coil magnetometer), based on a low-power stable-frequency tunnel diode oscillator with a single-layer open-faced coil, is very sensitive to changes of position. About 1 Å absolute and better than 10-6 relative resolution can be reached in distance change measurements. It is an excellent MHz-range scientific instrument with which one may study weakly expressed fine peculiarities of the superconductive state in small-volume thin plate-like high-Tc superconductors (HTS). It enables changes to be detected of about 1 pH of the HTS film's magnetic inductance (changes of ~1-3 Å of the magnetic penetration depth, λ) with very high (~10-6) relative resolution. Owing to the pick-up coil's flat design, relatively low operation frequency and high relative resolution, the present method has advantages over others. It is essential for non-destructive studies of thin flat HTS materials (with a small signal) especially near Tc (at the beginning of the formation of `Cooper' pairs). Mainly as the result of these advantages a new `paramagnetic' peculiarity of the superconductive transition has been detected in Y-Ba-Cu-O film, which precedes the well known `diamagnetic' ejection. A possible explanation of the observed effect is given, and the influence of some external physical parameters on the effect is revealed and discussed.
Solid-state ensemble of highly entangled photon sources at rubidium atomic transitions
Keil, Robert; Chen, Yan; Hoefer, Bianca; Zhang, Jiaxiang; Ding, Fei; Schmidt, Oliver G
2016-01-01
Semiconductor InAs/GaAs quantum dots grown by the Stranski-Krastanov method are among the leading candidates for the deterministic generation of polarization entangled photon pairs. Despite remarkable progress in the last twenty years, many challenges still remain for this material, such as the extremely low yield (<1% quantum dots can emit entangled photons), the low degree of entanglement, and the large wavelength distribution. Here we show that, with an emerging family of GaAs/AlGaAs quantum dots grown by droplet etching and nanohole infilling, it is possible to obtain a large ensemble (close to 100%) of polarization-entangled photon emitters on a wafer without any post-growth tuning. Under pulsed resonant two-photon excitation, all measured quantum dots emit single pairs of entangled photons with ultra-high purity, high degree of entanglement (fidelity up to F=0.91, with a record high concurrence C=0.90), and ultra-narrow wavelength distribution at rubidium transitions. Therefore, a solid-state quantum...
Leung, Chung Ming; Wang, Ya; Chen, Wusi
2016-11-01
In this letter, the airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and trajectory matching multi-pole magnets was investigated. The magnets were aligned in an alternatively magnetized formation of 6 magnets to explore enhanced power density. In particular, the magnet array was positioned in parallel to the trajectory of the tip coil within its tip deflection span. The finite element simulations of the magnetic flux density and induced voltages at an open circuit condition were studied to find the maximum number of alternatively magnetized magnets that was required for the proposed energy harvester. Experimental results showed that the energy harvester with a pair of 6 alternatively magnetized linear magnet arrays was able to generate an induced voltage (Vo) of 20 V, with an open circuit condition, and 475 mW, under a 30 Ω optimal resistance load operating with the wind speed (U) at 7 m/s and a natural bending frequency of 3.54 Hz. Compared to the traditional electromagnetic energy harvester with a single magnet moving through a coil, the proposed energy harvester, containing multi-pole magnets and parallel array motion, enables the moving coil to accumulate a stronger magnetic flux in each period of the swinging motion. In addition to the comparison made with the airfoil-based piezoelectric energy harvester of the same size, our proposed electromagnetic energy harvester generates 11 times more power output, which is more suitable for high-power-density energy harvesting applications at regions with low environmental frequency.
Leung, Chung Ming; Wang, Ya; Chen, Wusi
2016-11-01
In this letter, the airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and trajectory matching multi-pole magnets was investigated. The magnets were aligned in an alternatively magnetized formation of 6 magnets to explore enhanced power density. In particular, the magnet array was positioned in parallel to the trajectory of the tip coil within its tip deflection span. The finite element simulations of the magnetic flux density and induced voltages at an open circuit condition were studied to find the maximum number of alternatively magnetized magnets that was required for the proposed energy harvester. Experimental results showed that the energy harvester with a pair of 6 alternatively magnetized linear magnet arrays was able to generate an induced voltage (Vo) of 20 V, with an open circuit condition, and 475 mW, under a 30 Ω optimal resistance load operating with the wind speed (U) at 7 m/s and a natural bending frequency of 3.54 Hz. Compared to the traditional electromagnetic energy harvester with a single magnet moving through a coil, the proposed energy harvester, containing multi-pole magnets and parallel array motion, enables the moving coil to accumulate a stronger magnetic flux in each period of the swinging motion. In addition to the comparison made with the airfoil-based piezoelectric energy harvester of the same size, our proposed electromagnetic energy harvester generates 11 times more power output, which is more suitable for high-power-density energy harvesting applications at regions with low environmental frequency.
Pillet, S; Souhassou, M; Lecomte, C; Schwarz, K; Blaha, P; Rérat, M; Lichanot, A; Roversi, P
2001-05-01
This electron-density study on corundum (alpha-Al2O3) is part of the Multipole Refinement Project supported by the IUCr Commission on Charge, Spin and Momentum Densities. For this purpose, eight different data sets (two experimental and six theoretical) were chosen from which the electron density was derived by multipolar refinement (using the MOLLY program). The two experimental data sets were collected on a conventional CAD4 and at ESRF, ID11 with a CCD detector, respectively. The theoretical data sets consist of static, dynamic, static noisy and dynamic noisy moduli of structure factors calculated at the Hartree-Fock (HF) and density functional theory (DFT) levels. Comparisons of deformation and residual densities show that the multipolar analysis works satisfactorily but also indicate some drawbacks in the refinement. Some solutions and improvements during the refinements are proposed like contraction or expansion of the inner atomic shells or increasing the order of the spherical harmonic expansion.
Role of multipole moments in electric-field-induced order of dense molecular systems.
Acebal, Pablo; Carretero, Luis; Blaya, Salvador
2010-07-12
A new model is developed to describe the orientational order of dense molecular systems under an applied external electric field as a function of the n-particle distribution functions of a system under no external perturbation. From an approximation of this expression, the effects of several variables on this orientational order, such as the microscopic properties of the oriented molecules (the molecular geometry and multipole moments) and the solvent or matrix properties, are studied. The theoretical predictions show that, for a correct description of the orientational order, quadrupole and octupole moments must be included, as they play an important role in the orientational order achieved, depending on the molecular geometry. Furthermore, to verify the validity of the model, theoretical predictions are compared with experimental results, and show a good concordance.
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.
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.
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.
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 $10^{-29}{\\rm eV}$.
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.
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.
From geodesics of the multipole solutions to the perturbed Kepler problem
Hernandez-Pastora, J L; 10.1103/PhysRevD.82.104001
2010-01-01
A static and axisymmetric solution of the Einstein vacuum equations with a finite number of Relativistic Multipole Moments (RMM) is written in MSA coordinates up to certain order of approximation, and the structure of its metric components is explicitly shown. From the equation of equatorial geodesics we obtain the Binet equation for the orbits and it allows us to determine the gravitational potential that leads to the equivalent classical orbital equations of the perturbed Kepler problem. The relativistic corrections to Keplerian motion are provided by the different contributions of the RMM of the source starting from the Monopole (Schwarzschild correction). In particular, the perihelion precession of the orbit is calculated in terms of the quadrupole and 2$^4$-pole moments. Since the MSA coordinates generalize the Schwarzschild coordinates, the result obtained allows measurement of the relevance of the quadrupole moment in the first order correction to the perihelion frequency-shift.
Becker, Michael; Neumann, Marko; Tetzner, Julia; Böse, Susanne; Knoppick, Henrike; Maaz, Kai; Baumert, Jürgen; Lehmann, Rainer
2014-01-01
The present study investigates school context effects on psychosocial characteristics (academic self-concept, peer relations, school satisfaction, and school anxiety) of high-achieving and gifted students. Students who did or did not make an early transition from elementary to secondary schools for high-achieving and gifted students in 5th grade…
Rheological transitions of peanut oils cooled from 20 to 3ºC at 0.5ºC/min were monitored via small strain oscillatory measurements at 0.1 Hz and 1 Pa. Oils were from 9 different cultivars of peanut, and 3 oils were classified as high-oleic (approximately 80% oleic acid). High-oleic oils maintained...
Jensen, Tue Vissing; Greiner, Martin
2014-01-01
Due to global environmental concerns, our electricity supply will transform from mostly conventional power generation to mostly fluctuating renewable power generation. The transition will require combined backup from conventional sources and storage. A phase transition emerges during the ramp...... storage with no roundtrip losses the transition occurs at 100% renewable penetration. Moreover, the required storage energy capacity is strongly enhanced by temporal correlations on the synoptic weather time scale. A Markov process is proposed, which reproduces these findings....
Transitional care models: preventing readmissions for high-risk patient populations.
Centeno, Mae M; Kahveci, Kellie L
2014-12-01
Transition from hospital to home is a vulnerable period for older adults with multiple chronic conditions. A pilot of the Transitional Care Model at a community hospital reduced readmission rates for patients with heart failure by 48%. This article shares the experience of a large metropolitan health care system in expanding transitional care across facilities to decrease readmission rates. Copyright © 2014 Elsevier Inc. All rights reserved.
Thomas, Sarah [University of Alabama, Birmingham; Uhoya, Walter [University of Alabama, Birmingham; Tsoi, Georgiy [University of Alabama, Birmingham; Wenger, Lowell E [University of Alabama, Birmingham; Vohra, Yogesh [University of Alabama, Birmingham; Chesnut, Gary Neal [University of Alabama, Birmingham; Weir, S. T. [Lawrence Livermore National Laboratory (LLNL); Tulk, Christopher A [ORNL; Moreira Dos Santos, Antonio F [ORNL
2012-01-01
Neutron diffraction and electrical transport measurements have been made on the heavy rare earth metal holmium at high pressures and low temperatures in order to elucidate its transition from a paramagnetic (PM) to a helical antiferromagnetic (AFM) ordered phase as a function of pressure. The electrical resistance measurements show a change in the resistance slope as the temperature is lowered through the antiferromagnetic Neel temperature. The temperature of this antiferromagnetic transition decreases from approximately 122 K at ambient pressure at a rate of -4.9 K GPa(-1) up to a pressure of 9 GPa, whereupon the PM-to-AFM transition vanishes for higher pressures. Neutron diffraction measurements as a function of pressure at 89 and 110 K confirm the incommensurate nature of the phase transition associated with the antiferromagnetic ordering of the magnetic moments in a helical arrangement and that the ordering occurs at similar pressures as determined from the resistance results for these temperatures.
High pressure phase transitions in scheelite structured fluoride: ErLiF{sub 4}
Garg, Nandini; Mishra, A.K.; Poswal, H.K. [High Pressure and Synchrotron Radiation Physics Division, Mumbai (India); Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sharma, Surinder M [High Pressure and Synchrotron Radiation Physics Division, Mumbai (India)
2015-09-15
Our synchrotron based angle dispersive x-ray diffraction studies on scheelite structured ErLiF{sub 4} show that it undergoes two phase transitions, at ~11.5 and ~15.5 GPa to lower symmetry monoclinic phases, before becoming (irreversibly) amorphous at ~28 GPa. The first high pressure phase transformation to the fergusonite structure (space group I2/a) is found to be of thermodynamically second order. The second high pressure phase could be fitted to the P2/c space group, but detailed analysis rules out the wolframite structure (P2/c space group), common to many scheelite compounds under high pressures. We also suggest that despite the ionic character of the LiF{sub 4} tetrahedra, the compressibility of LnLiF{sub 4} (Ln=Eu–Lu) kind of scheelites is more affected by the LnF{sub 8} dodecahedra than the LiF{sub 4} tetrahedra. - Graphical abstract: Volume per formula unit of the scheelite and high pressure phases of ErLiF{sub 4} as a function of pressure. - Highlights: • ErLiF{sub 4} transforms to fergusonite and P2/c phase at high pressure. • Polyhedra of LnF{sub 8} affects compressibility of LnLiF{sub 4} (Ln=Eu–Lu) more than LiF{sub 4}. • Amorphization pressure varies inversely in LnLiF{sub 4} with ionic size of Ln cation. • In ErLiF{sub 4}a/c ratio reduces with pressure in contrast to reported increase in YLiF{sub 4}.
Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul
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.
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.
Narita, Norio; Hori, Yasunori; Kusakabe, Nobuhiko; Takeda, Yoichi; Tamura, Motohide [Astrobiology Center, 2-21-1 Osawa, Mitaka, Tokyo, 181-8588 (Japan); Hirano, Teruyuki [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan); Fukui, Akihiko; Yanagisawa, Kenshi [Okayama Astrophysical Observatory, National Astronomical Observatory of Japan, Asakuchi, Okayama 719-0232 (Japan); Sanchis-Ojeda, Roberto [Department of Astronomy, University of California, Berkeley, CA 94720 (United States); Winn, Joshua N. [Department of Physics, and Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Ryu, Tsuguru; Onitsuka, Masahiro [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo, 181-8588 (Japan); Kudo, Tomoyuki [Subaru Telescope, 650 North A’ohoku Place, Hilo, HI 96720 (United States); Delrez, Laetitia; Gillon, Michael; Jehin, Emmanuel [Institut d’Astrophysique et de Géophysique, Université de Liège, Allée du 6 Août 17, Bat. B5C, B-4000 Liège (Belgium); McCormac, James [Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL (United Kingdom); Holman, Matthew [Smithsonian Astrophysical Observatory, 60 Garden Street, Cambridge, MA 02138 (United States); Izumiura, Hideyuki, E-mail: norio.narita@nao.ac.jp [SOKENDAI (The Graduate University for Advanced Studies), 2-21-1 Osawa, Mitaka, Tokyo, 181-8588 (Japan)
2015-12-10
K2-19 (EPIC201505350) is an interesting planetary system in which two transiting planets with radii ∼7 R{sub ⊕} (inner planet b) and ∼4 R{sub ⊕} (outer planet c) have orbits that are nearly in a 3:2 mean-motion resonance. Here, we present results of ground-based follow-up observations for the K2-19 planetary system. We have performed high-dispersion spectroscopy and high-contrast adaptive-optics imaging of the host star with the HDS and HiCIAO on the Subaru 8.2 m telescope. We find that the host star is a relatively old (≥8 Gyr) late G-type star (T{sub eff} ∼ 5350 K, M{sub s} ∼ 0.9 M{sub ⊙}, and R{sub s} ∼ 0.9 R{sub ⊙}). We do not find any contaminating faint objects near the host star that could be responsible for (or dilute) the transit signals. We have also conducted transit follow-up photometry for the inner planet with KeplerCam on the FLWO 1.2 m telescope, TRAPPISTCAM on the TRAPPIST 0.6 m telescope, and MuSCAT on the OAO 1.88 m telescope. We confirm the presence of transit timing variations (TTVs), as previously reported by Armstrong and coworkers. We model the observed TTVs of the inner planet using the synodic chopping formulae given by Deck and Agol. We find two statistically indistinguishable solutions for which the period ratios (P{sub c}/P{sub b}) are located slightly above and below the exact 3:2 commensurability. Despite the degeneracy, we derive the orbital period of the inner planet P{sub b} ∼ 7.921 days and the mass of the outer planet M{sub c} ∼ 20 M{sub ⊕}. Additional transit photometry (especially for the outer planet) as well as precise radial-velocity measurements would be helpful to break the degeneracy and to determine the mass of the inner planet.
On primordial equation of state transitions
Aravind, Aditya; Paban, Sonia
2016-01-01
We revisit the physics of transitions from a general equation of state parameter to the final stage of slow-roll inflation. We show that it is unlikely for the modes comprising the cosmic microwave background to contain imprints from a pre-inflationary equation of state transition and still be consistent with observations. We accomplish this by considering observational consistency bounds on the amplitude of excitations resulting from such a transition. As a result, the physics which initially led to inflation likely cannot be probed with observations of the cosmic microwave background. Furthermore, we show that it is unlikely that equation of state transitions may explain the observed low multipole power suppression anomaly.
Basariya, M. Raviathul, E-mail: ravia80@gmail.com [CSIR-National Metallurgical Laboratory, Jamshedpur 831007 (India); Department of Metallurgical Engineering, Indian Institute of Technology (BHU), Varanasi 221005 (India); Roy, Rajat K.; Pramanick, A.K.; Srivastava, V.C. [CSIR-National Metallurgical Laboratory, Jamshedpur 831007 (India); Mukhopadhyay, N.K. [Department of Metallurgical Engineering, Indian Institute of Technology (BHU), Varanasi 221005 (India)
2015-06-25
In the present investigation, powders of as-cast ingots of Al–25 at%Fe and Al–34.5 at%Fe alloys close to Al{sub 3}Fe and Al{sub 2}Fe intermetallic phases are subjected to high energy ball milling to understand the possibility of formation of amorphous and/or nanocrystalline phases or any other metastable phases. The development of microstructure, evolution of various metastable phases and their stability are investigated by x-ray diffraction (XRD) and transmission electron microscopy (TEM) techniques. Mechanical milling of the alloys, up to 50 h, was carried out in high energy planetary ball mill. It resulted in phase transformation from monoclinic and triclinic structures of Al{sub 3}Fe and Al{sub 2}Fe, respectively, to orthorhombic structure pertaining to Al{sub 5}Fe{sub 2} phase and structural transformation from crystalline to amorphous phase. Hardness measurements revealed a transition from hardening to softening behavior in these mechanically milled alloys undergoing prolonged milling. The softening effect in the milled powders, having a composite structure involving nanocrystalline and amorphous phases, is attributed to the competing phenomenon of grain size reduction and amorphous phase formation with increasing milling time.
Ubiquitous High Speed Transition Region and Coronal Upflows in the Quiet Sun
Mcintosh, Scott W
2009-01-01
We study the line profiles of a range of transition region (TR) emission lines observed in typical quiet Sun regions. In magnetic network regions, the Si IV 1402\\AA{}, C IV 1548\\AA{}, N V 1238\\AA{}, O VI 1031\\AA{}, and Ne VIII 770\\AA{} spectral lines show significant asymmetry in the blue wing of the emission line profiles. We interpret these high-velocity upflows in the lower and upper TR as the quiet Sun equivalent of the recently discovered upflows in the low corona above plage regions (Hara et al., 2008). The latter have been shown to be directly associated with high-velocity chromospheric spicules that are (partially) heated to coronal temperatures and play a significant role in supplying the active region corona with hot plasma (DePontieu et al., 2009}. We show that a similar process likely dominates the quiet Sun network. We provide a new interpretation of the observed quiet Sun TR emission in terms of the relentless mass transport between the chromosphere and corona - a mixture of emission from dynami...
Solid-state ensemble of highly entangled photon sources at rubidium atomic transitions
Keil, Robert; Zopf, Michael; Chen, Yan; Höfer, Bianca; Zhang, Jiaxiang; Ding, Fei; Schmidt, Oliver G.
2017-05-01
Semiconductor InAs/GaAs quantum dots grown by the Stranski-Krastanov method are among the leading candidates for the deterministic generation of polarization-entangled photon pairs. Despite remarkable progress in the past 20 years, many challenges still remain for this material, such as the extremely low yield, the low degree of entanglement and the large wavelength distribution. Here, we show that with an emerging family of GaAs/AlGaAs quantum dots grown by droplet etching and nanohole infilling, it is possible to obtain a large ensemble of polarization-entangled photon emitters on a wafer without any post-growth tuning. Under pulsed resonant two-photon excitation, all measured quantum dots emit single pairs of entangled photons with ultra-high purity, high degree of entanglement and ultra-narrow wavelength distribution at rubidium transitions. Therefore, this material system is an attractive candidate for the realization of a solid-state quantum repeater--among many other key enabling quantum photonic elements.
Performance of the ATLAS Transition Radiation Tracker Readout with High Energy Collisions at the LHC
Wagner, P; The ATLAS collaboration
2011-01-01
The ATLAS Transition Radiation Tracker (TRT) is the outermost of the three subsystems of the ATLAS Inner Detector containing close to 350,000 thin-wall drift tubes (straws) operated with a Xenon-based gas mixture. The TRT data acquisition uses two separate front-end ASICS: the ASDBLR (analog) and DTMROC (digital). The eight-channel ASDBLR (Amplifier, Shaper, Discriminator and BaseLine Restorer) provides a three level out using two thresholds: a low one for tracking and a high one for electron identification. Two ASDBLR chips input into a single, sixteen-channel DTMROC (Digital Time Measurement and ReadOut Chip), which encodes the time over low (high) threshold in 3.125 ns (25 ns) time steps in a programmable depth pipeline awaiting a level 1 trigger. When a level 1 trigger is received, three LHC bunch crossings worth of data (75 ns) are read out. The DTMROC also provides a "Fast-OR" signal of its inputs, which has been utilized to build a level 1 trigger for cosmic rays traversing the ATLAS Inner Detector. Th...
High P-T phase transitions and P-V-T equation of state of hafnium
Hrubiak, Rostislav; Drozd, Vadym; Karbasi, Ali; Saxena, Surendra K. (FIU)
2016-07-29
We measured the volume of hafnium at several pressures up to 67 GPa and at temperatures between 300 to 780 K using a resistively heated diamond anvil cell with synchrotron x-ray diffraction at the Advanced Photon Source. The measured data allows us to determine the P-V-T equation of state of hafnium. The previously described [Xia et al., Phys. Rev. B 42, 6736-6738 (1990)] phase transition from hcp ({alpha}) to simple hexagonal ({omega}) phase at 38 GPa at room temperature was not observed even up to 51 GPa. The {omega} phase was only observed at elevated temperatures. Our measurements have also improved the experimental constraint on the high P-T phase boundary between the {omega} phase and high pressure bcc ({beta}) phase of hafnium. Isothermal room temperature bulk modulus and its pressure derivative for the {alpha}-phase of hafnium were measured to be B{sub 0} = 112.9{+-}0.5 GPa and B{sub 0}'=3.29{+-}0.05, respectively. P-V-T data for the {alpha}-phase of hafnium was used to obtain a fit to a thermodynamic P-V-T equation of state based on model by Brosh et al. [CALPHAD 31, 173-185 (2007)].
The challenges of transitioning from linear to high-order overlay control in advanced lithography
Adel, M.; Izikson, P.; Tien, D.; Huang, C. K.; Robinson, J. C.; Eichelberger, B.
2008-03-01
In the lithography section of the ITRS 2006 update, at the top of the list of difficult challenges appears the text "overlay of multiple exposures including mask image placement". This is a reflection of the fact that today overlay is becoming a major yield risk factor in semiconductor manufacturing. Historically, lithographers have achieved sufficient alignment accuracy and hence layer to layer overlay control by relying on models which define overlay as a linear function of the field and wafer coordinates. These linear terms were easily translated to correctibles in the available exposure tool degrees of freedom on the wafer and reticle stages. However, as the 45 nm half pitch node reaches production, exposure tool vendors have begun to make available, and lithographers have begun to utilize so called high order wafer and field control, in which either look up table or high order polynomial models are modified on a product by product basis. In this paper, the major challenges of this transition will be described. It will include characterization of the sources of variation which need to be controlled by these new models and the overlay and alignment sampling optimization problem which needs to be addressed, while maintaining the ever tightening demands on productivity and cost of ownership.
The architecture of the LkCa 15 transitional disk revealed by high-contrast imaging
Thalmann, C; Hodapp, K; Janson, M; Grady, C A; Min, M; Ovelar, M de Juan; Carson, J; Brandt, T; Bonnefoy, M; McElwain, M W; Leisenring, J; Dominik, C; Henning, T; Tamura, M
2014-01-01
We present four new epochs of Ks-band images of the young pre-transitional disk around LkCa 15, and perform extensive forward modeling to derive the physical parameters of the disk. We find indications of strongly anisotropic scattering (Henyey-Greenstein g = 0.67 [-0.11,+0.18]) and a significantly tapered gap edge ('round wall'), but see no evidence that the inner disk, whose existence is predicted by the spectral energy distribution, shadows the outer regions of the disk visible in our images. We marginally confirm the existence of an offset between the disk center and the star along the line of nodes; however, the magnitude of this offset (x = 27 [-20,+19] mas) is notably lower than that found in our earlier H-band images (Thalmann et al. 2010). Intriguingly, we also find, at high significance, an offset of y = 69 [-25, +49] mas perpendicular to the line of nodes. If confirmed by future observations, this would imply a highly elliptical -- or otherwise asymmetric -- disk gap with an effective eccentricity ...
High pressure antiferrodistortive phase transition in mixed crystals of EuTiO3 and SrTiO3
Paraskevas Parisiades
2016-06-01
Full Text Available We report a detailed high pressure study on Eu1−xSrxTiO3 polycrystalline samples using synchrotron x-ray diffraction. We have observed a second-order antiferrodistortive phase transition for all doping levels which corresponds to the transition that has been previously explored as a function of temperature. The analysis of the compression mechanism by calculating the lattice parameters, spontaneous strains and tilt angles of the TiO6 octahedra leads to a high pressure phase diagram for Eu1−xSrxTiO3.
High pressure antiferrodistortive phase transition in mixed crystals of EuTiO3 and SrTiO3
Parisiades, Paraskevas; Saltarelli, Francesco; Liarokapis, Efthymios; Köhler, Jürgen; Bussmann-Holder, Annette
2016-06-01
We report a detailed high pressure study on Eu1-xSrxTiO3 polycrystalline samples using synchrotron x-ray diffraction. We have observed a second-order antiferrodistortive phase transition for all doping levels which corresponds to the transition that has been previously explored as a function of temperature. The analysis of the compression mechanism by calculating the lattice parameters, spontaneous strains and tilt angles of the TiO6 octahedra leads to a high pressure phase diagram for Eu1-xSrxTiO3.
Structural phase transition and elastic properties of thorium pnictides at high pressure
Kuldeep Kholiya; B R K Gupta
2007-04-01
In the present paper we have pointed out the weaknesses of the approach by Aynyas et al [1] to study the structural phase transition and elastic properties of thorium pnictides. The calculated values of phase transition pressure and other elastic properties using the realistic and actual approach are also given and compared with the experimental and previous theoretical work.
Zhitnitsky, Daniel; Rose, Jessica; Lewinson, Oded
2017-01-01
For millennia, transition metals have been exploited to inhibit bacterial growth. We report here the potentiation of the anti-bacterial activity of transition metals by organic acids. Strong synergy between low, non-toxic concentrations of transition metals and organic acids was observed with up to ~1000-fold higher inhibitory effect on bacterial growth. We show that organic acids shuttle transition metals through the permeability barrier of the bacterial membrane, leading to increased influx of transition metals into bacterial cells. We demonstrate that this synergy can be effectively used to inhibit the growth of a broad range of plant and human bacterial pathogens, and suggest that a revision of food preservation and crop protection strategies may be in order. These findings bear significant biomedical, agricultural, financial and environmental opportunities. PMID:28294164
Phase Transitions as a Novel Mechanism for High-Speed Energy Storage
Bernholc, Jerry
2013-03-01
In many energy applications there is an urgent need to store and quickly discharge large amounts of electrical energy. Since capacitors can be discharged far quicker than batteries and fuel cells, they have much higher power densities. At present, highly insulating polymers with large breakdown fields, such as polypropylene, are the dielectrics of choice in high-power capacitors. However, their energy densities are quite low because of small dielectric constants. Ferroelectric polymers from the PVDF family have significantly larger dielectric constants, yet their energy densities are still rather low. This can be traced to early saturation of their displacement fields with the applied electric field, and to somewhat lower breakdown fields. However, an admixture of a small amount of another polymer, such as CTFE, results in a dramatic increase in the stored energy. We show that this highly non-linear increase in the energy density is due to the formation of disordered nanodomains with different copolymer concentrations, which undergo first-order non-polar to polar phase transitions with an increase of the applied field. The resulting energy density profile reproduces well the experimental data, while its variation with co-polymer concentration and distribution suggest avenues for additional substantial improvements in the stored energy. Most recently, we have identified a low-activation-energy pathway for these successive phase transformations. It provides further confirmation of the viability of the suggested energy storage mechanism and also enables fine-tuning of the kinetics of energy release by informed choices of suitable co-polymers. In collaboration with V. Ranjan, L. Yu, M. Buongiorno Nardelli and R. Dong.
Kraan, T; Velthorst, E; Koenders, L; Zwaart, K; Ising, H K; van den Berg, D; de Haan, L; van der Gaag, M
2016-03-01
Previous research has established the relationship between cannabis use and psychotic disorders. Whether cannabis use is related to transition to psychosis in patients at ultra-high risk (UHR) for psychosis remains unclear. The present study aimed to review the existing evidence on the association between cannabis use and transition to psychosis in UHR samples. A search of PsychInfo, Embase and Medline was conducted from 1996 to August 2015. The search yielded 5559 potentially relevant articles that were selected on title and abstract. Subsequently 36 articles were screened on full text for eligibility. Two random-effects meta-analyses were performed. First, we compared transition rates to psychosis of UHR individuals with lifetime cannabis use with non-cannabis-using UHR individuals. Second, we compared transition rates of UHR individuals with a current DSM-IV cannabis abuse or dependence diagnosis with lifetime users and non-using UHR individuals. We found seven prospective studies reporting on lifetime cannabis use in UHR subjects (n = 1171). Of these studies, five also examined current cannabis abuse or dependence. Lifetime cannabis use was not significantly associated with transition to psychosis [odds ratio (OR) 1.14, 95% confidence interval (CI) 0.856-1.524, p = 0.37]. A second meta-analysis yielded an OR of 1.75 (95% CI 1.135-2.710, p = 0.01), indicating a significant association between current cannabis abuse or dependence and transition to psychosis. Our results show that cannabis use was only predictive of transition to psychosis in those who met criteria for cannabis abuse or dependence, tentatively suggesting a dose-response relationship between current cannabis use and transition to psychosis.
Transitioning to High Performance Homes: Successes and Lessons Learned From Seven Builders
Widder, Sarah H.; Kora, Angela R.; Baechler, Michael C.; Fonorow, Ken; Jenkins, David W.; Stroer, Dennis
2013-03-01
As homebuyers are becoming increasingly concerned about rising energy costs and the impact of fossil fuels as a major source of greenhouse gases, the returning new home market is beginning to demand energy-efficient and comfortable high-performance homes. In response to this, some innovative builders are gaining market share because they are able to market their homes’ comfort, better indoor air quality, and aesthetics, in addition to energy efficiency. The success and marketability of these high-performance homes is creating a builder demand for house plans and information about how to design, build, and sell their own low-energy homes. To help make these and other builders more successful in the transition to high-performance construction techniques, Pacific Northwest National Laboratory (PNNL) partnered with seven interested builders in the hot humid and mixed humid climates to provide technical and design assistance through two building science firms, Florida Home Energy and Resources Organization (FL HERO) and Calcs-Plus, and a designer that offers a line of stock plans designed specifically for energy efficiency, called Energy Smart Home Plans (ESHP). This report summarizes the findings of research on cost-effective high-performance whole-house solutions, focusing on real-world implementation and challenges and identifying effective solutions. The ensuing sections provide project background, profile each of the builders who participated in the program, and describe their houses’ construction characteristics, key challenges the builders encountered during the construction and transaction process); and present primary lessons learned to be applied to future projects. As a result of this technical assistance, 17 homes have been built featuring climate-appropriate efficient envelopes, ducts in conditioned space, and correctly sized and controlled heating, ventilation, and air-conditioning systems. In addition, most builders intend to integrate high
Spontaneous transitions in atomic system in the presence of high-intensity laser field
Bogatskaya, Anna; Volkova, Ekaterina; Popov, Alexander
2016-10-01
A new approach to the study of the spontaneous emission of the quantum system driven by a high-intensity laser field is developed. This approach is based on the accurate consideration of quantum system interaction with vacuum quantized field modes in the first order of perturbation theory, while the intense laser field is considered classically beyond the perturbation theory which allows to observe any-order stimulated processes governed by classical field. The proposed approach is applied to the study of a number of quantum systems in intense laser field. The obtained data are compared with those obtained in the frames of semiclassical approximation typically used for analyzing of the strong-field dynamic. It is found that the applicability of the semiclassical approach is strictly limited. It is valid for calculation of transitions to the initially populated state only if the population of this state is close to unity during the pulse and in the after-pulse regime. If its population is depleted, the semiclassical approach fails.
Frey, Ariel; Ruchkin, Vladislav; Martin, Andrés; Schwab-Stone, Mary
2009-03-01
Adolescents are vulnerable to becoming involved in problematic behaviors, disengaging academically, and dropping out of school. This study was designed to evaluate the protective role of self-perceived school attachment and family involvement on the development of these negative behaviors during adolescence. The Social and Health Assessment (SAHA) survey was conducted among 652 predominantly minority, inner-city adolescents during their transition from middle to high school in order to examine school attachment, perceived teacher support, parental control, and exposure to community violence as predictors of engagement in violent activities, development of aggressive beliefs, perception of school climate, and academic motivation one year later. Family and school factors appeared to be differentially associated with the negative outcomes. School attachment was associated with lower levels of violent delinquency and aggressive beliefs, as well as with academic motivation. Perceived teacher support was associated with positive perceptions of school climate and with academic motivation. Parental control was associated with lower levels of violent activity and with higher levels of academic motivation. Violence exposure was related to violent delinquency and negative perception of school climate. School attachment, teacher support, parental control, and violence exposure must all be incorporated into school reform efforts intended to break the inner city cycle of violence.
Phase Restructuring in Transition Metal Dichalcogenides for Highly Stable Energy Storage.
Leng, Kai; Chen, Zhongxin; Zhao, Xiaoxu; Tang, Wei; Tian, Bingbing; Nai, Chang Tai; Zhou, Wu; Loh, Kian Ping
2016-09-28
Achieving homogeneous phase transition and uniform charge distribution is essential for good cycle stability and high capacity when phase conversion materials are used as electrodes. Herein, we show that chemical lithiation of bulk 2H-MoS2 distorts its crystalline domains in three primary directions to produce mosaic-like 1T' nanocrystalline domains, which improve phase and charge uniformity during subsequent electrochemical phase conversion. 1T'-LixMoS2, a macroscopic dense material with interconnected nanoscale grains, shows excellent cycle stability and rate capability in a lithium rechargeable battery compared to bulk or exfoliated-restacked MoS2. Transmission electron microscopy studies reveal that the interconnected MoS2 nanocrystals created during the phase change process are reformable even after multiple cycles of galvanostatic charging/discharging, which allows them to play important roles in the long term cycling performance of the chemically intercalated TMD materials. These studies shed light on how bulk TMDs can be processed into quasi-2D nanophase material for stable energy storage.
High-current CW beam profile monitors using transition radiation at CEBAF
Piot, P.; Denard, J.-C.; Adderley, P.; Capek, K.; Feldl, E.
1997-01-01
One way of measuring the profile of CEBAF's low-emittance, high-power beam is to use the optical transition radiation (OTR) emitted from a thin foil surface when the electron beam passes through it. We present the design of a monitor using the forward OTR emitted from a 0.25-μm carbon foil. We believe that the monitor will resolve three main issues: i) whether the maximum temperature of the foil stays below the melting point, ii) whether the beam loss remains below 0.5%, in order not to trigger the machine protection system, and iii) whether the monitor resolution (unlike that of synchrotron radiation monitors) is better than the product λγ. It seems that the most serious limitation for CEBAF is the beam loss due to beam scattering. We present results from Keil's theory and simulations from the computer code GEANT as well as measurements with aluminum foils with a 45-MeV electron beam. We also present a measurement of a 3.2-GeV beam profile that is much smaller than λγ, supporting Rule and Fiorito's calculations of the OTR resolution limit due to diffraction.
Yazdani, Miad; Alahyari, Abbas; Radcliff, Thomas; Soteriou, Marios
2015-11-01
Surface enhancement is often is the primary approach for improved heat transfer performance of two-phase thermal systems particularly when they operate in nucleate boiling regime. This paper exploits the modeling capability developed by Yazdani et al. for simulation of nucleate boiling and transition to critical heat flux to study the nucleation phenomenon on various enhanced structures. The multi-scale of two-phase flow associated with boiling phenomena is addressed through combination of deterministic CFD for the macro-scale transport, asymptotic based representation of micro-layer, and stochastic representation of surface roughness so as to allow a high-fidelity simulation of boiling on an arbitrary surface. In addition, given the excessive complexity of surface structures often used for enhancement of boiling heat transfer, a phase-field-based method is developed to generate the structures where the numerical parameters in the phase-field model determine the topology of a given structure. The ``generated'' structure is then embedded into the two-phase flow model through virtual boundary method for the boiling simulation. The model is validated against experimental data for the boiling curve and the critical heat flux as well as nucleation and bubble dynamics characteristics.
New Findings by High-Order DNS for Late Flow Transition in a Boundary Layer
Chaoqun Liu
2011-01-01
Full Text Available This paper serves as a summary of new discoveries by DNS for late stages of flow transition in a boundary layer. The widely spread concept “vortex breakdown” is found theoretically impossible and never happened in practice. The ring-like vortex is found the only form existing inside the flow field. The ring-like vortex formation is the result of the interaction between two pairs of counter-rotating primary and secondary streamwise vortices. Following the first Helmholtz vortex conservation law, the primary vortex tube rolls up and is stretched due to the velocity gradient. In order to maintain vorticity conservation, a bridge must be formed to link two Λ-vortex legs. The bridge finally develops as a new ring. This process keeps going on to form a multiple ring structure. The U-shaped vortices are not new but existing coherent vortex structure. Actually, the U-shaped vortex, which is a third level vortex, serves as a second neck to supply vorticity to the multiple rings. The small vortices can be found on the bottom of the boundary layer near the wall surface. It is believed that the small vortices, and thus turbulence, are generated by the interaction of positive spikes and other higher level vortices with the solid wall. The mechanism of formation of secondary vortex, second sweep, positive spike, high shear distribution, downdraft and updraft motion, and multiple ring-circle overlapping is also investigated.
High glucose mediates endothelial-to-chondrocyte transition in human aortic endothelial cells
Tang Rining
2012-09-01
Full Text Available Abstract Background Vascular calcification is one of the common complications in diabetes mellitus. Many studies have shown that high glucose (HG caused cardiovascular calcification, but its underlying mechanism is not fully understood. Recently, medial calcification has been most commonly described in the vessels of patients with diabetes. Chondrocytes were involved in the medial calcification. Recent studies have shown that the conversion into mesenchymal stem cells (MSCs via the endothelial-to-mesenchymal transition (EndMT could be triggered in chondrocytes. Our previous research has indicated that HG induced EndMT in human aortic endothelial cells (HAECs. Therefore, we addressed the question of whether HG-induced EndMT could be transitioned into MSCs and differentiated into chondrocytes. Methods HAECs were divided into three groups: a normal glucose (NG group, HG group (30 mmol/L, and mannitol (5.5 mmol/L NG + 24.5 mmol/L group. Pathological changes were investigated using fluorescence microscopy and electron microscopy. Immunofluorescence staining was performed to detect the co-expression of endothelial markers, such as CD31, and fibroblast markers, such as fibroblast-specific protein 1 (FSP-1. The expression of FSP-1 was detected by real time-PCR and western blots. Endothelial-derived MSCs were grown in MSC medium for one week. The expression of the MSCs markers STRO-1, CD44, CD10 and the chondrocyte marker SOX9 was detected by immunofluorescence staining and western blots. Chondrocyte expression was detected by alcian blue staining. Calcium deposits were analyzed by alizarin red staining. Results The incubation of HAECs exposed to HG resulted in a fibroblast-like phenotype. Double staining of the HAECs indicated a co-localization of CD31 and FSP-1. The expression of FSP-1 was significantly increased in the HG group, and the cells undergoing EndMT also expressed STRO-1, CD44 and SOX9 compared with the controls (P Conclusions Our
Kaluarachchi, Udhara S.; Deng, Yuhang; Besser, Matthew F.; Sun, Kewei; Zhou, Lin; Nguyen, Manh Cuong; Yuan, Zhujun; Zhang, Chenglong; Schilling, James S.; Kramer, Matthew J.; Jia, Shuang; Wang, Cai-Zhuang; Ho, Kai-Ming; Canfield, Paul C.; Bud'ko, Sergey L.
2017-06-01
Transport and magnetic studies of PbTaSe2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ˜0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ˜425 K. The new, high temperature/high pressure phase has a similar crystal structure and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe2 has an exceptionally pressure sensitive, structural phase transition with Δ Ts/Δ P ≈-1400 K/GPa near room temperature, and ≈-1700 K/GPa near 4 K. This first order transition causes a ˜1 K (˜25 % ) steplike decrease in Tc as pressure is increased through 0.25 GPa.
Forbidden atomic transitions driven by an intensity-modulated laser trap
Moore, Kaitlin R; Raithel, Georg
2014-01-01
Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes a multipole-field interaction, which leads to established spectroscopic selection rules, and an interaction that is quadratic in the field, which is often neglected. However, spectroscopy using the quadratic (ponderomotive) interaction promises two significant advantages over spectroscopy using the multipole-field interaction: flexible transition rules and vastly improved spatial addressability of the quantum system. For the first time, we demonstrate ponderomotive spectroscopy by using optical-lattice-trapped Rydberg atoms, pulsating the lattice light at a microwave frequency, and driving a microwave atomic transition that would otherwise be forbidden by established spectroscopic selection rules. This new ability to measure frequencies of previously inaccessible transitions makes possible improved determinations of atomic characteristics and constants un...
First-principles screening of complex transition metal hydrides for high temperature applications.
Nicholson, Kelly M; Sholl, David S
2014-11-17
Metal hydrides with enhanced thermodynamic stability with respect to the associated binary hydrides are useful for high temperature applications in which highly stable materials with low hydrogen overpressures are desired. Though several examples of complex transition metal hydrides (CTMHs) with such enhanced stability are known, little thermodynamic or phase stability information is available for this materials class. In this work, we use semiautomated thermodynamic and phase diagram calculations based on density functional theory (DFT) and grand canonical linear programming (GCLP) methods to screen 102 ternary and quaternary CTMHs and 26 ternary saline hydrides in a library of over 260 metals, intermetallics, binary, and higher hydrides to identify materials that release hydrogen at higher temperatures than the associated binary hydrides and at elevated temperatures, T > 1000 K, for 1 bar H2 overpressure. For computational efficiency, we employ a tiered screening approach based first on solid phase ground state energies with temperature effects controlled via H2 gas alone and second on the inclusion of phonon calculations that correct solid phase free energies for temperature-dependent vibrational contributions. We successfully identified 13 candidate CTMHs including Eu2RuH6, Yb2RuH6, Ca2RuH6, Ca2OsH6, Ba2RuH6, Ba3Ir2H12, Li4RhH4, NaPd3H2, Cs2PtH4, K2PtH4, Cs3PtH5, Cs3PdH3, and Rb2PtH4. The most stable CTMHs tend to crystallize in the Sr2RuH6 cubic prototype structure and decompose to the pure elements and hydrogen rather than to intermetallic phases.