Automated Measurement of P- and S-Wave Differential Times for Imaging Spatial Distributions of Vp/Vs Ratio, with Moving-Window Cross-Correlation Technique

NASA Astrophysics Data System (ADS)

Taira, T.; Kato, A.

2013-12-01

A high-resolution Vp/Vs ratio estimate is one of the key parameters to understand spatial variations of composition and physical state within the Earth. Lin and Shearer (2007, BSSA) recently developed a methodology to obtain local Vp/Vs ratios in individual similar earthquake clusters, based on P- and S-wave differential times. A waveform cross-correlation approach is typically employed to measure those differential times for pairs of seismograms from similar earthquakes clusters, at narrow time windows around the direct P and S waves. This approach effectively collects P- and S-wave differential times and however requires the robust P- and S-wave time windows that are extracted based on either manually or automatically picked P- and S-phases. We present another technique to estimate P- and S-wave differential times by exploiting temporal properties of delayed time as a function of elapsed time on the seismograms with a moving-window cross-correlation analysis (e.g., Snieder, 2002, Phys. Rev. E; Niu et al. 2003, Nature). Our approach is based on the principle that the delayed time for the direct S wave differs from that for the direct P wave. Two seismograms aligned by the direct P waves from a pair of similar earthquakes yield that delayed times become zero around the direct P wave. In contrast, delayed times obtained from time windows including the direct S wave have non-zero value. Our approach, in principle, is capable of measuring both P- and S-wave differential times from single-component seismograms. In an ideal case, the temporal evolution of delayed time becomes a step function with its discontinuity at the onset of the direct S wave. The offset in the resulting step function would be the S-wave differential time, relative to the P-wave differential time as the two waveforms are aligned by the direct P wave. We apply our moving-window cross-correlation technique to the two different data sets collected at: 1) the Wakayama district, Japan and 2) the Geysers geothermal field, California. The both target areas are characterized by earthquake swarms that provide a number of similar events clusters. We use the following automated procedure to systematically analyze the two data sets: 1) the identification of the direct P arrivals by using an Akaike Information Criterion based phase picking algorithm introduced by Zhang and Thurber (2003, BSSA), 2) the waveform alignment by the P-wave with a waveform cross-correlation to obtain P-wave differential time, 3) the moving-time window analysis to estimate the S-differential time. Kato et al. (2010, GRL) have estimated the Vp/Vs ratios for a few similar earthquake clusters from the Wakayama data set, by a conventional approach to obtain differential times. We find that the resulting Vp/Vs ratios from our approach for the same earthquake clusters are comparable with those obtained from Kato et al. (2010, GRL). We show that the moving-window cross-correlation technique effectively measures both P- and S-wave differential times for the seismograms in which the clear P and S phases are not observed. We will show spatial distributions in Vp/Vs ratios in our two target areas.

N+6Li system with flexible cluster wave function

NASA Astrophysics Data System (ADS)

Stubeda, D. J.; Fujiwara, Y.; Tang, Y. C.

1982-12-01

The n+6Li and p+6Li systems are studied with the single-channel resonating-group method. The 6Li internal wave function used is either a single translationally-invariant harmonic-oscillator shell-model function or a superposition of two such functions. The result shows that the main features of this system do not depend sensitively on which of these functions is employed, although significant differences in cross-section values do appear at backward angles. The fit to experimental data is only fair, indicating that the present calculation should be refined by including the N+6Li*(3+) inelastic channel, by taking into better account d+α clustering in 6Li, by carefully considering the effect of specific distortion, and by, perhaps, also adopting a noncentral nucleon-nucleon potential in the formulation. NUCLEAR REACTIONS 6Li(p, p), 6Li(n, n) calculated phase shifts and σ(θ). Resonating-group method with complex-generator-coordinate technique.

Bose--Einstein Correlations and Thermal Cluster Formation in High-energy Collisions

NASA Astrophysics Data System (ADS)

Bialas, A.; Florkowski, W.; Zalewski, K.

The blast wave model is generalized to include the production of thermal clusters, as suggested by the apparent success of the statistical model of particle production at high energies. The formulae for the HBT correlation functions and the corresponding HBT radii are derived.

Cosmological gravitational waves

NASA Technical Reports Server (NTRS)

Linder, Eric V.

1988-01-01

A cosmological background of gravitational waves would alter the propagation of radiation, inducing redshift fluctuations, apparent source position deflections, and luminosity variations. By comparing these astrophysical effects with observations, it is possible to deduce upper limits on the energy density present in gravitational waves. Emphasis is placed on microwave background anisotropy from the redshift deviations and galaxy clustering correlation functions from the angular deviations. Many of the gravitational wave effects are shown to be generalizations of the gravitational lensing formalism.

Cluster observations of band-limited Pc 1 waves associated with streaming H+ and O+ ions in the high-altitude plasma mantle

NASA Astrophysics Data System (ADS)

Engebretson, M. J.; Kahlstorf, C. R. G.; Murr, D. L.; Posch, J. L.; Keiling, A.; Lavraud, B.; Rème, H.; Lessard, M. R.; Kim, E.-H.; Johnson, J. R.; Dombeck, J.; Grison, B.; Robert, P.; Glassmeier, K.-H.; Décréau, P. M. E.

2012-10-01

Bursts of band-limited Pc 1 waves (0.2 to ˜1.0 Hz) with normalized frequency f/fH+ ˜ 0.5 have been observed by the Cluster spacecraft during many passes through the high-latitude plasma mantle. These transverse, left-hand polarized waves are associated with regions of H+ and O+ ions streaming away from Earth along magnetic field lines at the same velocity (˜140 km/s). Waves were observed only when H+ fluxes increased by factors of 10-1000 and energies of both ion species increased by factors of up to 10. We present two satellite-ground conjunctions to demonstrate the high latitude localization of these waves and their ability to reach the polar ionosphere and two extended examples of waves and associated ion distribution functions near the southern dusk flank magnetopause. We also present the results of a search for all such events during Cluster's 2002 and 2003 passages through the magnetotail, with orbital precession covering dawn to dusk on Earth's night side (June through December). A total of 46 events (band-limited Pc 1-2 waves accompanied by a sustained population of streaming H+ and O+ ions, separated by at least 12 min) were observed on 29 days. The waves were generally associated with intervals of southward IMF Bz and/or large IMF By (times of active cusp reconnection), and often but not always occurred during the main phase or early recovery phase of magnetic storms. Analysis of selected events shows that the waves are associated with large H+ temperature anisotropy, and that the waves propagate opposite to the direction of the streaming ions. A wave instability analysis using the WHAMP code confirms that the generation of these waves, via the ion cyclotron instability, is basically consistent with known physics. Their extended region of wave growth is likely, however, to reach tailward significantly beyond the Cluster orbit.

Characterization and prediction of the backscattered form function of an immersed cylindrical shell using hybrid fuzzy clustering and bio-inspired algorithms.

PubMed

Agounad, Said; Aassif, El Houcein; Khandouch, Younes; Maze, Gérard; Décultot, Dominique

2018-02-01

The acoustic scattering of a plane wave by an elastic cylindrical shell is studied. A new approach is developed to predict the form function of an immersed cylindrical shell of the radius ratio b/a ('b' is the inner radius and 'a' is the outer radius). The prediction of the backscattered form function is investigated by a combined approach between fuzzy clustering algorithms and bio-inspired algorithms. Four famous fuzzy clustering algorithms: the fuzzy c-means (FCM), the Gustafson-Kessel algorithm (GK), the fuzzy c-regression model (FCRM) and the Gath-Geva algorithm (GG) are combined with particle swarm optimization and genetic algorithm. The symmetric and antisymmetric circumferential waves A, S 0 , A 1 , S 1 and S 2 are investigated in a reduced frequency (k 1 a) range extends over 0.1

Investigation of the 9B nucleus and its cluster-nucleon correlations

NASA Astrophysics Data System (ADS)

Zhao, Qing; Ren, Zhongzhou; Lyu, Mengjiao; Horiuchi, Hisashi; Funaki, Yasuro; Röpke, Gerd; Schuck, Peter; Tohsaki, Akihiro; Xu, Chang; Yamada, Taiichi; Zhou, Bo

2018-05-01

In order to study the correlations between clusters and nucleons in light nuclei, we formulate a new superposed Tohsaki-Horiuchi-Schuck-Röpke (THSR) wave function which describes both spatially large spreading and cluster-correlated dynamics of valence nucleons. Using this new THSR wave function, the binding energy of 9B is significantly improved in comparison with our previous studies. We calculate the excited states of 9B and obtain an energy spectrum of 9B which is consistent with the experimental results. This includes the prediction of the first 1 /2+ excited state of 9B which is not yet fixed experimentally. We study the proton dynamics in 9B and find that the cluster-proton correlation plays an essential role for the proton dynamics in the ground state of 9B. Furthermore, we discuss the density distribution of the valence proton with special attention to its tail structure. Finally, the resonance nature of excited states of 9B is illustrated comparing root-mean-square radii between the ground and excited states.

Hole localization in Fe2O3 from density functional theory and wave-function-based methods

NASA Astrophysics Data System (ADS)

Ansari, Narjes; Ulman, Kanchan; Camellone, Matteo Farnesi; Seriani, Nicola; Gebauer, Ralph; Piccinin, Simone

2017-08-01

Hematite (α -Fe2O3 ) is a promising photocatalyst material for water splitting, where photoinduced holes lead to the oxidation of water and the release of molecular oxygen. In this work, we investigate the properties of holes in hematite using density functional theory (DFT) calculations with hybrid functionals. We find that holes form small polarons and, depending on the fraction of exact exchange included in the PBE0 functional, the site where the holes localize changes from Fe to O. We find this result to be independent of the size and structure of the system: small Fe2O3 clusters with tetrahedral coordination, larger clusters with octahedral coordination, Fe2O3 (001) surfaces in contact with water, and bulk Fe2O3 display a very similar behavior in terms of hole localization as a function of the fraction of exact exchange. We then use wave-function-based methods such as coupled cluster with single and double excitations and Møller-Plesset second-order perturbation theory applied on a cluster model of Fe2O3 to shed light on which of the two solutions is correct. We find that these high-level quantum chemistry methods suggest holes in hematite are localized on oxygen atoms. We also explore the use of the DFT +U approach as a computationally convenient way to overcome the known limitations of generalized gradient approximation functionals and recover a gap in line with experiments and hole localization on oxygen in agreement with quantum chemistry methods.

A summary of the SOTANCP3 workshop

NASA Astrophysics Data System (ADS)

Baye, Daniel

2014-12-01

This text summarizes the talks presented at the 3rd International Workshop on State of the Art in Nuclear Cluster Physics (SOTANCP3) held in Yokohama (Japan) from 26 to 30 May 2014. Some personal opinions are also expressed on two much debated topics: the 12C spectrum in the continuum and conflicting interpretations of cluster wave functions.

Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

PubMed

Chen, Zhenhua; Hoffmann, Mark R

2012-07-07

A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4, and BeH(2), are performed in order to test the new methods on problems where full configuration interaction results are available.

Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

NASA Astrophysics Data System (ADS)

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

2017-06-01

The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding.

PubMed

Höfener, Sebastian; Gomes, André Severo Pereira; Visscher, Lucas

2012-01-28

In this article, we present a consistent derivation of a density functional theory (DFT) based embedding method which encompasses wave-function theory-in-DFT (WFT-in-DFT) and the DFT-based subsystem formulation of response theory (DFT-in-DFT) by Neugebauer [J. Neugebauer, J. Chem. Phys. 131, 084104 (2009)] as special cases. This formulation, which is based on the time-averaged quasi-energy formalism, makes use of the variation Lagrangian techniques to allow the use of non-variational (in particular: coupled cluster) wave-function-based methods. We show how, in the time-independent limit, we naturally obtain expressions for the ground-state DFT-in-DFT and WFT-in-DFT embedding via a local potential. We furthermore provide working equations for the special case in which coupled cluster theory is used to obtain the density and excitation energies of the active subsystem. A sample application is given to demonstrate the method. © 2012 American Institute of Physics

Coupled-cluster Green's function: Analysis of properties originating in the exponential parametrization of the ground-state wave function

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

Peng, Bo; Kowalski, Karol

In this paper we derive basic properties of the Green’s function matrix elements stemming from the exponential coupled cluster (CC) parametrization of the ground-state wave function. We demon- strate that all intermediates used to express retarded (or equivalently, ionized) part of the Green’s function in the ω-representation can be expressed through connected diagrams only. Similar proper- ties are also shared by the first order ω-derivatives of the retarded part of the CC Green’s function. This property can be extended to any order ω-derivatives of the Green’s function. Through the Dyson equation of CC Green’s function, the derivatives of corresponding CCmore » self-energy can be evaluated analytically. In analogy to the CC Green’s function, the corresponding CC self-energy is expressed in terms of connected diagrams only. Moreover, the ionized part of the CC Green’s func- tion satisfies the non-homogeneous linear system of ordinary differential equations, whose solution may be represented in the exponential form. Our analysis can be easily generalized to the advanced part of the CC Green’s function.« less

Polynomial Similarity Transformation Theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian

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

Degroote, M.; Henderson, T. M.; Zhao, J.

We present a similarity transformation theory based on a polynomial form of a particle-hole pair excitation operator. In the weakly correlated limit, this polynomial becomes an exponential, leading to coupled cluster doubles. In the opposite strongly correlated limit, the polynomial becomes an extended Bessel expansion and yields the projected BCS wavefunction. In between, we interpolate using a single parameter. The e ective Hamiltonian is non-hermitian and this Polynomial Similarity Transformation Theory follows the philosophy of traditional coupled cluster, left projecting the transformed Hamiltonian onto subspaces of the Hilbert space in which the wave function variance is forced to be zero.more » Similarly, the interpolation parameter is obtained through minimizing the next residual in the projective hierarchy. We rationalize and demonstrate how and why coupled cluster doubles is ill suited to the strongly correlated limit whereas the Bessel expansion remains well behaved. The model provides accurate wave functions with energy errors that in its best variant are smaller than 1% across all interaction stengths. The numerical cost is polynomial in system size and the theory can be straightforwardly applied to any realistic Hamiltonian.« less

Bcr-Abl induces abnormal cytoskeleton remodeling, beta1 integrin clustering and increased cell adhesion to fibronectin through the Abl interactor 1 pathway.

PubMed

Li, Yingzhu; Clough, Nancy; Sun, Xiaolin; Yu, Weidong; Abbott, Brian L; Hogan, Christopher J; Dai, Zonghan

2007-04-15

Hematopoietic cells isolated from patients with Bcr-Abl-positive leukemia exhibit multiple abnormalities of cytoskeletal and integrin function. These abnormalities are thought to play a role in the pathogenesis of leukemia; however, the molecular events leading to these abnormalities are not fully understood. We show here that the Abi1 pathway is required for Bcr-Abl to stimulate actin cytoskeleton remodeling, integrin clustering and cell adhesion. Expression of Bcr-Abl induces tyrosine phosphorylation of Abi1. This is accompanied by a subcellular translocation of Abi1/WAVE2 to a site adjacent to membrane, where an F-actin-enriched structure containing the adhesion molecules such as beta1-integrin, paxillin and vinculin is assembled. Bcr-Abl-induced membrane translocation of Abi1/WAVE2 requires direct interaction between Abi1 and Bcr-Abl, but is independent of the phosphoinositide 3-kinase pathway. Formation of the F-actin-rich complex correlates with an increased cell adhesion to fibronectin. More importantly, disruption of the interaction between Bcr-Abl and Abi1 by mutations either in Bcr-Abl or Abi1 not only abolished tyrosine phosphorylation of Abi1 and membrane translocation of Abi1/WAVE2, but also inhibited Bcr-Abl-stimulated actin cytoskeleton remodeling, integrin clustering and cell adhesion to fibronectin. Together, these data define Abi1/WAVE2 as a downstream pathway that contributes to Bcr-Abl-induced abnormalities of cytoskeletal and integrin function.

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

NASA Astrophysics Data System (ADS)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

NASA Technical Reports Server (NTRS)

Rendell, Alistair P.; Lee, Timothy J.

1991-01-01

The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

Regionally dependent summer heat wave response to increased surface temperature in the US

NASA Astrophysics Data System (ADS)

Lopez, H.; Dong, S.; Kirtman, B. P.; Goni, G. J.; Lee, S. K.; Atlas, R. M.; West, R.

2017-12-01

Climate projections for the 21st Century suggest an increase in the occurrence of heat waves. However, the time it takes for the externally forced signal of climate change to emerge against the background of natural variability (i.e., Time of Emergence, ToE) particularly on the regional scale makes reliable future projection of heat waves challenging. Here, we combine observations and model simulations under present and future climate forcing to assess internal variability versus external forcing in modulating US heat waves. We characterized the most common heat wave patterns over the US by the use of clustering of extreme events by their spatial distribution. For each heat wave cluster, we assess changes in the probability density function (PDF) of summer temperature extremes by modeling the PDF as a stochastically generated skewed (SGS) distribution. The probability of necessary causation for each heat wave cluster was also quantified, allowing to make assessments of heat extreme attribution to anthropogenic climate change. The results suggest that internal variability will dominate heat wave occurrence over the Great Plains with ToE occurring in the 2050s (2070s) and of occurrence of ratio of warm-to-cold extremes of 1.7 (1.7) for the Northern (Southern) Plains. In contrast, external forcing will dominate over the Western (Great Lakes) region with ToE occurring as early as in the 2020s (2030s) and warm-to-cold extremes ratio of 6.4 (10.2), suggesting caution in attributing heat extremes to external forcing due to their regional dependence.

Spectral properties of Langmuir and beam-mode waves observed inside terrestrial foreshock by Cluster spacecraf

NASA Astrophysics Data System (ADS)

Pisa, D.; Soucek, J.; Santolik, O.

2016-12-01

Electrostatic plasma waves are commonly observed in the upstream regions of planetary shocks. Solar wind electrons accelerated at the shock front are reflected back into the solar wind and form electron beams. The electron distribution becomes unstable and electrostatic waves are generated inside the foreshock region. The processes of generation and evolution of electrostatic waves significantly depend on the solar wind plasma conditions and generally exhibit complex behavior. Langmuir waves can be identified as intense narrowband emission at the local plasma frequency and weaker broadband beam-mode waves below and above the plasma frequency deeper in the downstream region. We present a long-term survey of Langmuir and beam-mode waves in the vicinity of the plasma frequency observed upstream of the terrestrial bow shock by the Cluster spacecraft. Using solar wind data and bow shock positions from OMNI, as well as in-situ measurements of interplanetary magnetic field, we have mapped all available spacecraft positions into foreshock coordinates. For a study of plasma waves, we have used spectra and local plasma frequencies obtained from a passive and active mode of the WHISPER instrument. We show a spatial distribution of wave frequencies and spectral widths as a function of foreshock positions and solar wind conditions.

Metabotropic glutamate receptors activate dendritic calcium waves and TRPM channels which drive rhythmic respiratory patterns in mice

PubMed Central

Mironov, S L

2008-01-01

Respiration in vertebrates is generated by a compact network which is located in the lower brainstem but cellular mechanisms which underlie persistent oscillatory activity of the respiratory network are yet unknown. Using two-photon imaging and patch-clamp recordings in functional brainstem preparations of mice containing pre-Bötzinger complex (preBötC), we examined the actions of metabotropic glutamate receptors (mGluR1/5) on the respiratory patterns. The agonist DHPG potentiated and antagonist LY367385 depressed respiration-related activities. In the inspiratory neurons, we observed rhythmic activation of non-selective channels which had a conductance of 24 pS. Their activity was enhanced with membrane depolarization and after elevation of calcium from the cytoplasmic side of the membrane. They were activated by a non-hydrolysable PIP2 analogue and blocked by flufenamate, ATP4− and Gd3+. All these properties correspond well to those of TRPM4 channels. Calcium imaging of functional slices revealed rhythmic transients in small clusters of neurons present in a network. Calcium transients in the soma were preceded by the waves in dendrites which were dependent on mGluR activation. Initiation and propagation of waves required calcium influx and calcium release from internal stores. Calcium waves activated TPRM4-like channels in the soma and promoted generation of inspiratory bursts. Simulations of activity of neurons communicated via dendritic calcium waves showed emerging activity within neuronal clusters and its synchronization between the clusters. The experimental and theoretical data provide a subcellular basis for a recently proposed group-pacemaker hypothesis and describe a novel mechanism of rhythm generation in neuronal networks. PMID:18308826

Ground states of larger nuclei

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

Pieper, S.C.; Wiringa, R.B.; Pandharipande, V.R.

1995-08-01

The methods used for the few-body nuclei require operations on the complete spin-isospin vector; the size of this vector makes such methods impractical for nuclei with A > 8. During the last few years we developed cluster expansion methods that do not require operations on the complete vector. We use the same Hamiltonians as for the few-body nuclei and variational wave functions of form similar to the few-body wave functions. The cluster expansions are made for the noncentral parts of the wave functions and for the operators whose expectation values are being evaluated. The central pair correlations in the wavemore » functions are treated exactly and this requires the evaluation of 3A-dimensional integrals which are done with Monte Carlo techniques. Most of our effort was on {sup 16}O, other p-shell nuclei, and {sup 40}Ca. In 1993 the Mathematics and Computer Science Division acquired a 128-processor IBM SP which has a theoretical peak speed of 16 Gigaflops (GFLOPS). We converted our program to run on this machine. Because of the large memory on each node of the SP, it was easy to convert the program to parallel form with very low communication overhead. Considerably more effort was needed to restructure the program from one oriented towards long vectors for the Cray computers at NERSC to one that makes efficient use of the cache of the RS6000 architecture. The SP made possible complete five-body cluster calculations of {sup 16}O for the first time; previously we could only do four-body cluster calculations. These calculations show that the expectation value of the two-body potential is converging less rapidly than we had thought, while that of the three-body potential is more rapidly convergent; the net result is no significant change to our predicted binding energy for {sup 16}O using the new Argonne v{sub 18} potential and the Urbana IX three-nucleon potential. This result is in good agreement with experiment.« less

Dynamical relationship between wind speed magnitude and meridional temperature contrast: Application to an interannual oscillation in Venusian middle atmosphere GCM

NASA Astrophysics Data System (ADS)

Yamamoto, Masaru; Takahashi, Masaaki

2018-03-01

We derive simple dynamical relationships between wind speed magnitude and meridional temperature contrast. The relationship explains scatter plot distributions of time series of three variables (maximum zonal wind speed UMAX, meridional wind speed VMAX, and equator-pole temperature contrast dTMAX), which are obtained from a Venus general circulation model with equatorial Kelvin-wave forcing. Along with VMAX and dTMAX, UMAX likely increases with the phase velocity and amplitude of a forced wave. In the scatter diagram of UMAX versus dTMAX, points are plotted along a linear equation obtained from a thermal-wind relationship in the cloud layer. In the scatter diagram of VMAX versus UMAX, the apparent slope is somewhat steep in the high UMAX regime, compared with the low UMAX regime. The scatter plot distributions are qualitatively consistent with a quadratic equation obtained from a diagnostic equation of the stream function above the cloud top. The plotted points in the scatter diagrams form a linear cluster for weak wave forcing, whereas they form a small cluster for strong wave forcing. An interannual oscillation of the general circulation forming the linear cluster in the scatter diagram is apparent in the experiment of weak 5.5-day wave forcing. Although a pair of equatorial Kelvin and high-latitude Rossby waves with a same period (Kelvin-Rossby wave) produces equatorward heat and momentum fluxes in the region below 60 km, the equatorial wave does not contribute to the long-period oscillation. The interannual fluctuation of the high-latitude jet core leading to the time variation of UMAX is produced by growth and decay of a polar mixed Rossby-gravity wave with a 14-day period.

On the interplay between cosmological shock waves and their environment

NASA Astrophysics Data System (ADS)

Martin-Alvarez, Sergio; Planelles, Susana; Quilis, Vicent

2017-05-01

Cosmological shock waves are tracers of the thermal history of the structures in the Universe. They play a crucial role in redistributing the energy within the cosmic structures and are also amongst the main ingredients of galaxy and galaxy cluster formation. Understanding this important function requires a proper description of the interplay between shocks and the different environments where they can be found. In this paper, an Adaptive Mesh Refinement (AMR) Eulerian cosmological simulation is analysed by means of a shock-finding algorithm that allows to generate shock wave maps. Based on the population of dark matter halos and on the distribution of density contrast in the simulation, we classify the shocks in five different environments. These range from galaxy clusters to voids. The shock distribution function and the shocks power spectrum are studied for these environments dynamics. We find that shock waves on different environments undergo different formation and evolution processes, showing as well different characteristics. We identify three different phases of formation, evolution and dissipation of these shock waves, and an intricate migration between distinct environments and scales. Shock waves initially form at external, low density regions and are merged and amplified through the collapse of structures. Shock waves and cosmic structures follow a parallel evolution. Later on, shocks start to detach from them and dissipate. We also find that most of the power that shock waves dissipate is found at scales of k ˜0.5 Mpc^{-1}, with a secondary peak at k ˜8 Mpc^{-1}. The evolution of the shocks power spectrum confirms that shock waves evolution is coupled and conditioned by their environment.

Long-term survey of lion-roar emissions inside the terrestrial magnetosheath obtained from the STAFF-SA measurements onboard the Cluster spacecraft

NASA Astrophysics Data System (ADS)

Pisa, D.; Krupar, V.; Kruparova, O.; Santolik, O.

2017-12-01

Intense whistler-mode emissions known as 'lion-roars' are often observed inside the terrestrial magnetosheath, where the solar wind plasma flow slows down, and the local magnetic field increases ahead of a planetary magnetosphere. Plasma conditions in this transient region lead to the electron temperature anisotropy, which can result in the whistler-mode waves. The lion-roars are narrow-band emissions with typical frequencies between 0.1-0.5 Fce, where Fce is the electron cyclotron frequency. We present results of a long-term survey obtained by the Spatio Temporal Analysis Field Fluctuations - Spectral Analyzer (STAFF-SA) instruments on board the four Cluster spacecraft between 2001 and 2010. We have visually identified the time-frequency intervals with the intense lion-roar signature. Using the Singular Value Decomposition (SVD) method, we analyzed the wave propagation properties. We show the spatial, frequency and wave power distributions. Finally, the wave properties as a function of upstream solar wind conditions are discussed.

Whistler Waves With Electron Temperature Anisotropy And Non-Maxwellian Distribution Functions

NASA Astrophysics Data System (ADS)

Masood, W.

2017-12-01

Low frequency waves (˜ 100Hz), popularly known as Lion roars, are ubiquitously observed by satellites in terrestrial magnetosheath. By dint of both wave and electron data from the Cluster spacecraft and employing the linear kinetic theory for the electromagnetic waves, Masood et. al. (Ann. Geophysicae. 24, 1725-1735 (2006)) examined the conjecture made by Thorne and Tsurutani (Nature, 93, 384 (1981)) that whistler waves with electron temperature anisotropy are the progenitors of lion roars. It turned out that the study based upon the bi-Maxwellian distribution function did not come up with a satisfactory explanation of certain disagreements between theory and data. In this paper, we revisit the problem using the generalized (r, q) distribution to carry out the linear stability analysis. It is shown that good qualitative and quantitative agreements are found between theory and data using this distribution. Whistler waves with electron temperature anisotropy are also investigated with other non-Maxwellian distribution functions and general comparison is made in the end and differences in each case are highlighted. The possible applications in space plasmas are also pointed out.

Adaptive multiconfigurational wave functions.

PubMed

Evangelista, Francesco A

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N2 and the potential energy curves for the first three singlet states of C2. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu2O2(2+) core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods.

PubMed

Torres, Edmanuel; DiLabio, Gino A

2013-08-13

Large clusters of noncovalently bonded molecules can only be efficiently modeled by classical mechanics simulations. One prominent challenge associated with this approach is obtaining force-field parameters that accurately describe noncovalent interactions. High-level correlated wave function methods, such as CCSD(T), are capable of correctly predicting noncovalent interactions, and are widely used to produce reference data. However, high-level correlated methods are generally too computationally costly to generate the critical reference data required for good force-field parameter development. In this work we present an approach to generate Lennard-Jones force-field parameters to accurately account for noncovalent interactions. We propose the use of a computational step that is intermediate to CCSD(T) and classical molecular mechanics, that can bridge the accuracy and computational efficiency gap between them, and demonstrate the efficacy of our approach with methane clusters. On the basis of CCSD(T)-level binding energy data for a small set of methane clusters, we develop methane-specific, atom-centered, dispersion-correcting potentials (DCPs) for use with the PBE0 density-functional and 6-31+G(d,p) basis sets. We then use the PBE0-DCP approach to compute a detailed map of the interaction forces associated with the removal of a single methane molecule from a cluster of eight methane molecules and use this map to optimize the Lennard-Jones parameters for methane. The quality of the binding energies obtained by the Lennard-Jones parameters we obtained is assessed on a set of methane clusters containing from 2 to 40 molecules. Our Lennard-Jones parameters, used in combination with the intramolecular parameters of the CHARMM force field, are found to closely reproduce the results of our dispersion-corrected density-functional calculations. The approach outlined can be used to develop Lennard-Jones parameters for any kind of molecular system.

Elucidating the role of surface passivating ligand structural parameters in hole wave function delocalization in semiconductor cluster molecules.

PubMed

Teunis, Meghan B; Nagaraju, Mulpuri; Dutta, Poulami; Pu, Jingzhi; Muhoberac, Barry B; Sardar, Rajesh; Agarwal, Mangilal

2017-09-28

This article describes the mechanisms underlying electronic interactions between surface passivating ligands and (CdSe) 34 semiconductor cluster molecules (SCMs) that facilitate band-gap engineering through the delocalization of hole wave functions without altering their inorganic core. We show here both experimentally and through density functional theory calculations that the expansion of the hole wave function beyond the SCM boundary into the ligand monolayer depends not only on the pre-binding energetic alignment of interfacial orbitals between the SCM and surface passivating ligands but is also strongly influenced by definable ligand structural parameters such as the extent of their π-conjugation [π-delocalization energy; pyrene (Py), anthracene (Anth), naphthalene (Naph), and phenyl (Ph)], binding mode [dithiocarbamate (DTC, -NH-CS 2 - ), carboxylate (-COO - ), and amine (-NH 2 )], and binding head group [-SH, -SeH, and -TeH]. We observe an unprecedentedly large ∼650 meV red-shift in the lowest energy optical absorption band of (CdSe) 34 SCMs upon passivating their surface with Py-DTC ligands and the trend is found to be Ph- < Naph- < Anth- < Py-DTC. This shift is reversible upon removal of Py-DTC by triethylphosphine gold(i) chloride treatment at room temperature. Furthermore, we performed temperature-dependent (80-300 K) photoluminescence lifetime measurements, which show longer lifetime at lower temperature, suggesting a strong influence of hole wave function delocalization rather than carrier trapping and/or phonon-mediated relaxation. Taken together, knowledge of how ligands electronically interact with the SCM surface is crucial to semiconductor nanomaterial research in general because it allows the tuning of electronic properties of nanomaterials for better charge separation and enhanced charge transfer, which in turn will increase optoelectronic device and photocatalytic efficiencies.

AGN Heating in Simulated Cool-core Clusters

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

Li, Yuan; Ruszkowski, Mateusz; Bryan, Greg L., E-mail: yuanlium@umich.edu

We analyze heating and cooling processes in an idealized simulation of a cool-core cluster, where momentum-driven AGN feedback balances radiative cooling in a time-averaged sense. We find that, on average, energy dissipation via shock waves is almost an order of magnitude higher than via turbulence. Most of the shock waves in the simulation are very weak shocks with Mach numbers smaller than 1.5, but the stronger shocks, although rare, dissipate energy more effectively. We find that shock dissipation is a steep function of radius, with most of the energy dissipated within 30 kpc, more spatially concentrated than radiative cooling loss.more » However, adiabatic processes and mixing (of post-shock materials and the surrounding gas) are able to redistribute the heat throughout the core. A considerable fraction of the AGN energy also escapes the core region. The cluster goes through cycles of AGN outbursts accompanied by periods of enhanced precipitation and star formation, over gigayear timescales. The cluster core is under-heated at the end of each cycle, but over-heated at the peak of the AGN outburst. During the heating-dominant phase, turbulent dissipation alone is often able to balance radiative cooling at every radius but, when this is occurs, shock waves inevitably dissipate even more energy. Our simulation explains why some clusters, such as Abell 2029, are cooling dominated, while in some other clusters, such as Perseus, various heating mechanisms including shock heating, turbulent dissipation and bubble mixing can all individually balance cooling, and together, over-heat the core.« less

Ab initio calculations of optical properties of silver clusters: cross-over from molecular to nanoscale behavior

NASA Astrophysics Data System (ADS)

Titantah, John T.; Karttunen, Mikko

2016-05-01

Electronic and optical properties of silver clusters were calculated using two different ab initio approaches: (1) based on all-electron full-potential linearized-augmented plane-wave method and (2) local basis function pseudopotential approach. Agreement is found between the two methods for small and intermediate sized clusters for which the former method is limited due to its all-electron formulation. The latter, due to non-periodic boundary conditions, is the more natural approach to simulate small clusters. The effect of cluster size is then explored using the local basis function approach. We find that as the cluster size increases, the electronic structure undergoes a transition from molecular behavior to nanoparticle behavior at a cluster size of 140 atoms (diameter ~1.7 nm). Above this cluster size the step-like electronic structure, evident as several features in the imaginary part of the polarizability of all clusters smaller than Ag147, gives way to a dominant plasmon peak localized at wavelengths 350 nm ≤ λ ≤ 600 nm. It is, thus, at this length-scale that the conduction electrons' collective oscillations that are responsible for plasmonic resonances begin to dominate the opto-electronic properties of silver nanoclusters.

Quantitative properties of clustering within modern microscopic nuclear models

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

Volya, A.; Tchuvil’sky, Yu. M., E-mail: tchuvl@nucl-th.sinp.msu.ru

2016-09-15

A method for studying cluster spectroscopic properties of nuclear fragmentation, such as spectroscopic amplitudes, cluster form factors, and spectroscopic factors, is developed on the basis of modern precision nuclear models that take into account the mixing of large-scale shell-model configurations. Alpha-cluster channels are considered as an example. A mathematical proof of the need for taking into account the channel-wave-function renormalization generated by exchange terms of the antisymmetrization operator (Fliessbach effect) is given. Examples where this effect is confirmed by a high quality of the description of experimental data are presented. By and large, the method in question extends substantially themore » possibilities for studying clustering phenomena in nuclei and for improving the quality of their description.« less

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

Yu, Kuang; Libisch, Florian; Carter, Emily A., E-mail: eac@princeton.edu

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to ourmore » previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors.« less

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

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk; Cohen, R. E.

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimalmore » VMC and DMC binding energies of −2.3(4) and −2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is −2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.« less

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Adaptive multiconfigurational wave functions

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

Evangelista, Francesco A., E-mail: francesco.evangelista@emory.edu

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions.more » The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.« less

A diagnostic for determining the quality of single-reference electron correlation methods

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Taylor, Peter R.

1989-01-01

It was recently proposed that the Euclidian norm of the t(sub 1) vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appopriate. This diagnostic, T(sub 1) is defined for use with self-consistent-field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T(sub 1) is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of non-dynamical electron correlation and is far superior to C(sub 0) from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T(sub 1) (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

A diagnostic for determining the quality of single-reference electron correlation methods

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Taylor, Peter R.

1989-01-01

It was recently proposed that the Euclidian norm of the t sub 1 vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appropriate. This diagnostic, T sub 1, is defined for use with self consistent field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T sub 1 is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of nondynamical electron correlation and is far superior to C sub 0 from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T sub 1 (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

Dominant partition method. [based on a wave function formalism

NASA Technical Reports Server (NTRS)

Dixon, R. M.; Redish, E. F.

1979-01-01

By use of the L'Huillier, Redish, and Tandy (LRT) wave function formalism, a partially connected method, the dominant partition method (DPM) is developed for obtaining few body reductions of the many body problem in the LRT and Bencze, Redish, and Sloan (BRS) formalisms. The DPM maps the many body problem to a fewer body one by using the criterion that the truncated formalism must be such that consistency with the full Schroedinger equation is preserved. The DPM is based on a class of new forms for the irreducible cluster potential, which is introduced in the LRT formalism. Connectivity is maintained with respect to all partitions containing a given partition, which is referred to as the dominant partition. Degrees of freedom corresponding to the breakup of one or more of the clusters of the dominant partition are treated in a disconnected manner. This approach for simplifying the complicated BRS equations is appropriate for physical problems where a few body reaction mechanism prevails.

Cluster analysis of multiple planetary flow regimes

NASA Technical Reports Server (NTRS)

Mo, Kingtse; Ghil, Michael

1988-01-01

A modified cluster analysis method developed for the classification of quasi-stationary events into a few planetary flow regimes and for the examination of transitions between these regimes is described. The method was applied first to a simple deterministic model and then to a 500-mbar data set for Northern Hemisphere (NH), for which cluster analysis was carried out in the subspace of the first seven empirical orthogonal functions (EOFs). Stationary clusters were found in the low-frequency band of more than 10 days, while transient clusters were found in the band-pass frequency window between 2.5 and 6 days. In the low-frequency band, three pairs of clusters determined EOFs 1, 2, and 3, respectively; they exhibited well-known regional features, such as blocking, the Pacific/North American pattern, and wave trains. Both model and low-pass data exhibited strong bimodality.

Frequency clusters in self-excited dust density waves

NASA Astrophysics Data System (ADS)

Menzel, Kristoffer O.; Arp, Oliver; Piel, Alexander

2010-11-01

Self-excited dust density waves were studied under microgravity conditions. Their non-sinusoidal shape and high degrees of modulation suggests that nonlinear effects play an important role in their spatio-temporal dynamics. The resulting complex wave pattern is analyzed in great detail by means of the Hilbert transform, which provides instantaneous wave attributes, such as the phase and the frequency. Our analysis showed that the spatial frequency distribution of the DDWs is usually not constant over the dust cloud. In contrast, the wave field is divided into regions of different but almost constant frequencies [1]. The boundaries of these so-called frequency clusters coincide with the locations of phase defects in the wave field. It is found that the size of the clusters depends on the strength of spatial gradients in the plasma parameters. We attribute the formation of frequency clusters to synchronization phenomena as a consequence of the nonlinear character of the wave.[1] K. O. Menzel, O. Arp, A.Piel, Phys. Rev. Lett. 104, 235002 (2010)

A model for sputtering from solid surfaces bombarded by energetic clusters

NASA Astrophysics Data System (ADS)

Benguerba, Messaoud

2018-04-01

A model is developed to explain and predict the sputtering from solid surfaces bombarded by energetic clusters, on the basis of shock wave generated at the impact of cluster. Under the shock compression the temperature increases causing the vaporization of material that requires an internal energy behind the shock, at least, of about twice the cohesive energy of target. The sputtering is treated as a gas of vaporized particles from a hemispherical volume behind the shock front. The sputter yield per cluster atoms is given as a universal function depending on the ratio of target to cluster atomic density and the ratio of cluster velocity to the velocity calculated on the basis of an internal energy equals about twice cohesive energy. The predictions of the model for self sputter yield of copper, gold, tungsten and of silver bombarded by C60 clusters agree well, with the corresponding data simulated by molecular dynamics.

Insight from first principles into the stability and magnetism of alkali-metal superoxide nanoclusters

NASA Astrophysics Data System (ADS)

Arcelus, Oier; Suaud, Nicolas; Katcho, Nebil A.; Carrasco, Javier

2017-05-01

Alkali-metal superoxides are gaining increasing interest as 2p magnetic materials for information and energy storage. Despite significant research efforts on bulk materials, gaps in our knowledge of the electronic and magnetic properties at the nanoscale still remain. Here, we focused on the role that structural details play in determining stability, electronic structure, and magnetic couplings of (MO2)n (M = Li, Na, and K, with n = 2-8) clusters. Using first-principles density functional theory based on the Perdew-Burke-Ernzerhof and Heyd-Scuseria-Ernzerhof functionals, we examined the effect of atomic structure on the relative stability of different polymorphs within each investigated cluster size. We found that small clusters prefer to form planar-ring structures, whereas non-planar geometries become more stable when increasing the cluster size. However, the crossover point depends on the nature of the alkali metal. Our analysis revealed that electrostatic interactions govern the highly ionic M-O2 bonding and ultimately control the relative stability between 2-D and 3-D geometries. In addition, we analyzed the weak magnetic couplings between superoxide molecules in (NaO2)4 clusters comparing model Hamiltonian methods based on Wannier function projections onto πg states with wave function-based multi-reference calculations.

STATISTICALLY DETERMINED DISPERSION RELATIONS OF MAGNETIC FIELD FLUCTUATIONS IN THE TERRESTRIAL FORESHOCK

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

Hnat, B.; O’Connell, D.; Nakariakov, V. M.

2016-08-20

We obtain dispersion relations of magnetic field fluctuations for two crossings of the terrestrial foreshock by Cluster spacecraft. These crossings cover plasma conditions that differ significantly in their plasma β and in the density of the reflected ion beam, but not in the properties of the encountered ion population, both showing shell-like distribution function. Dispersion relations are reconstructed using two-point instantaneous wave number estimations from pairs of Cluster spacecraft. The accessible range of wave vectors, limited by the available spacecraft separations, extends to ≈2 × 10{sup 4} km. Results show multiple branches of dispersion relations, associated with different powers ofmore » magnetic field fluctuations. We find that sunward propagating fast magnetosonic waves and beam resonant modes are dominant for the high plasma β interval with a dense beam, while the dispersions of the interval with low beam density include Alfvén and fast magnetosonic modes propagating sunward and anti-sunward.« less

Black hole binaries dynamically formed in globular clusters

NASA Astrophysics Data System (ADS)

Park, Dawoo; Kim, Chunglee; Lee, Hyung Mok; Bae, Yeong-Bok; Belczynski, Krzysztof

2017-08-01

We investigate properties of black hole (BH) binaries formed in globular clusters via dynamical processes, using directN-body simulations. We pay attention to effects of BH mass function on the total mass and mass ratio distributions of BH binaries ejected from clusters. First, we consider BH populations with two different masses in order to learn basic differences from models with single-mass BHs only. Secondly, we consider continuous BH mass functions adapted from recent studies on massive star evolution in a low metallicity environment, where globular clusters are formed. In this work, we consider only binaries that are formed by three-body processes and ignore stellar evolution and primordial binaries for simplicity. Our results imply that most BH binary mergers take place after they get ejected from the cluster. Also, mass ratios of dynamically formed binaries should be close to 1 or likely to be less than 2:1. Since the binary formation efficiency is larger for higher-mass BHs, it is likely that a BH mass function sampled by gravitational-wave observations would be weighed towards higher masses than the mass function of single BHs for a dynamically formed population. Applying conservative assumptions regarding globular cluster populations such as small BH mass fraction and no primordial binaries, the merger rate of BH binaries originated from globular clusters is estimated to be at least 6.5 yr-1 Gpc-3. Actual rate can be up to more than several times of our conservative estimate.

Method for discovering relationships in data by dynamic quantum clustering

DOEpatents

Weinstein, Marvin; Horn, David

2017-05-09

Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.

Method for discovering relationships in data by dynamic quantum clustering

DOEpatents

Weinstein, Marvin; Horn, David

2014-10-28

Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.

Diagrammatic analysis of correlations in polymer fluids: Cluster diagrams via Edwards' field theory

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

Morse, David C.

2006-10-15

Edwards' functional integral approach to the statistical mechanics of polymer liquids is amenable to a diagrammatic analysis in which free energies and correlation functions are expanded as infinite sums of Feynman diagrams. This analysis is shown to lead naturally to a perturbative cluster expansion that is closely related to the Mayer cluster expansion developed for molecular liquids by Chandler and co-workers. Expansion of the functional integral representation of the grand-canonical partition function yields a perturbation theory in which all quantities of interest are expressed as functionals of a monomer-monomer pair potential, as functionals of intramolecular correlation functions of non-interacting molecules,more » and as functions of molecular activities. In different variants of the theory, the pair potential may be either a bare or a screened potential. A series of topological reductions yields a renormalized diagrammatic expansion in which collective correlation functions are instead expressed diagrammatically as functionals of the true single-molecule correlation functions in the interacting fluid, and as functions of molecular number density. Similar renormalized expansions are also obtained for a collective Ornstein-Zernicke direct correlation function, and for intramolecular correlation functions. A concise discussion is given of the corresponding Mayer cluster expansion, and of the relationship between the Mayer and perturbative cluster expansions for liquids of flexible molecules. The application of the perturbative cluster expansion to coarse-grained models of dense multi-component polymer liquids is discussed, and a justification is given for the use of a loop expansion. As an example, the formalism is used to derive a new expression for the wave-number dependent direct correlation function and recover known expressions for the intramolecular two-point correlation function to first-order in a renormalized loop expansion for coarse-grained models of binary homopolymer blends and diblock copolymer melts.« less

Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model

NASA Astrophysics Data System (ADS)

Jia, C. J.; Moritz, B.; Chen, C.-C.; Shastry, B. Sriram; Devereaux, T. P.

2011-09-01

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range d-wave pair field term, which precipitates a superconducting state in the d-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the d-wave pair/spin/charge-density matrices. The calculations show a d-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion U and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping t'. We also demonstrate that negative t' plays an important role in facilitating d-wave superconductivity.

Acoustic Disturbances in Galaxy Clusters

NASA Astrophysics Data System (ADS)

Zweibel, Ellen G.; Mirnov, Vladimir V.; Ruszkowski, Mateusz; Reynolds, Christopher S.; Yang, H.-Y. Karen; Fabian, Andrew C.

2018-05-01

Galaxy cluster cores are pervaded by hot gas which radiates at far too high a rate to maintain any semblance of a steady state; this is referred to as the cooling flow problem. Of the many heating mechanisms that have been proposed to balance radiative cooling, one of the most attractive is the dissipation of acoustic waves generated by active galactic nuclei. Fabian et al. showed that if the waves are nearly adiabatic, wave damping due to heat conduction and viscosity must be well below standard Coulomb rates in order to allow the waves to propagate throughout the core. Because of the importance of this result, we have revisited wave dissipation under galaxy cluster conditions in a way that accounts for the self-limiting nature of dissipation by electron thermal conduction, allows the electron and ion temperature perturbations in the waves to evolve separately, and estimates kinetic effects by comparing to a semicollisionless theory. While these effects considerably enlarge the toolkit for analyzing observations of wavelike structures and developing a quantitative theory for wave heating, the drastic reduction of transport coefficients proposed in Fabian et al. remains the most viable path to acoustic wave heating of galaxy cluster cores.

Chemical accuracy from quantum Monte Carlo for the benzene dimer.

PubMed

Azadi, Sam; Cohen, R E

2015-09-14

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is -2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.

A statistical study of EMIC waves observed by Cluster: 1. Wave properties

NASA Astrophysics Data System (ADS)

Allen, R. C.; Zhang, J.-C.; Kistler, L. M.; Spence, H. E.; Lin, R.-L.; Klecker, B.; Dunlop, M. W.; André, M.; Jordanova, V. K.

2015-07-01

Electromagnetic ion cyclotron (EMIC) waves are an important mechanism for particle energization and losses inside the magnetosphere. In order to better understand the effects of these waves on particle dynamics, detailed information about the occurrence rate, wave power, ellipticity, normal angle, energy propagation angle distributions, and local plasma parameters are required. Previous statistical studies have used in situ observations to investigate the distribution of these parameters in the magnetic local time versus L-shell (MLT-L) frame within a limited magnetic latitude (MLAT) range. In this study, we present a statistical analysis of EMIC wave properties using 10 years (2001-2010) of data from Cluster, totaling 25,431 min of wave activity. Due to the polar orbit of Cluster, we are able to investigate EMIC waves at all MLATs and MLTs. This allows us to further investigate the MLAT dependence of various wave properties inside different MLT sectors and further explore the effects of Shabansky orbits on EMIC wave generation and propagation. The statistical analysis is presented in two papers. This paper focuses on the wave occurrence distribution as well as the distribution of wave properties. The companion paper focuses on local plasma parameters during wave observations as well as wave generation proxies.

Statistics of the detection rates for tensor and scalar gravitational waves from the Local Galaxy universe

NASA Astrophysics Data System (ADS)

Baryshev, Yu. V.; Paturel, G.

2001-05-01

We use data on the local 3-dimensional galaxy distribution for studying the statistics of the detection rates of gravitational waves (GW) coming from supernova explosions. We consider both tensor and scalar gravitational waves which are possible in a wide range of relativistic and quantum gravity theories. We show that statistics of GW events as a function of sidereal time can be used for distinction between scalar and tensor gravitational waves because of the anisotropy of spatial galaxy distribution. For calculation of the expected amplitudes of GW signals we use the values of the released GW energy, frequency and duration of GW pulse which are consistent with existing scenarios of SN core collapse. The amplitudes of the signals produced by Virgo and the Great Attractor clusters of galaxies is expressed as a function of the sidereal time for resonant bar detectors operating now (IGEC) and for forthcoming laser interferometric detectors (VIRGO). Then, we calculate the expected number of GW events as a function of sidereal time produced by all the galaxies within 100 Mpc. In the case of axisymmetric rotational core collapse which radiates a GW energy of 10-9Msunc2, only the closest explosions can be detected. However, in the case of nonaxisymmetric supernova explosion, due to such phenomena as centrifugal hangup, bar and lump formation, the GW radiation could be as strong as that from a coalescing neutron-star binary. For radiated GW energy higher than 10-6Msunc2 and sensitivity of detectors at the level h ~ 10-23 it is possible to detect Virgo cluster and Great Attractor, and hence to use the statistics of GW events for testing gravity theories.

A theoretical study of the reaction of Ti+ with ethane

NASA Astrophysics Data System (ADS)

Moc, Jerzy; Fedorov, Dmitri G.; Gordon, Mark S.

2000-06-01

The doublet and quartet potential energy surfaces for the Ti++C2H6→TiC2H4++H2 and Ti++C2H6→TiCH2++CH4 reactions are studied using density functional theory (DFT) with the B3LYP functional and ab initio coupled cluster CCSD(T) methods with high quality basis sets. Structures have been optimized at the DFT level and the minima connected to each transition state (TS) by following the intrinsic reaction coordinate (IRC). Relative energies are calculated both at the DFT and coupled-cluster levels of theory. The relevant parts of the potential energy surface, especially key transition states, are also studied using multireference wave functions with the final energetics obtained with multireference second-order perturbation theory.

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

PubMed

Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2011-11-14

We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

Collective Yu-Shiba-Rusinov states in magnetic clusters at superconducting surfaces

NASA Astrophysics Data System (ADS)

Körber, Simon; Trauzettel, Björn; Kashuba, Oleksiy

2018-05-01

We study the properties of collective Yu-Shiba-Rusinov (YSR) states generated by multiple magnetic adatoms (clusters) placed on the surface of a superconductor. For magnetic clusters with equal distances between their constituents, we demonstrate the formation of effectively spin-unpolarized YSR states with subgap energies independent of the spin configuration of the magnetic impurities. We solve the problem analytically for arbitrary spin structure and analyze both spin-polarized (dispersive energy levels) and spin-unpolarized (pinned energy levels) solutions. While the energies of the spin-polarized solutions can be characterized solely by the net magnetic moment of the cluster, the wave functions of the spin-unpolarized solutions effectively decouple from it. This decoupling makes them stable against thermal fluctuation and detectable in scanning tunneling microscopy experiments.

From antinode clusters to node clusters: the concentration-dependent transition of floaters on a standing Faraday wave.

PubMed

Sanlı, Ceyda; Lohse, Detlef; van der Meer, Devaraj

2014-05-01

A hydrophilic floating sphere that is denser than water drifts to an amplitude maximum (antinode) of a surface standing wave. A few identical floaters therefore organize into antinode clusters. However, beyond a transitional value of the floater concentration ϕ, we observe that the same spheres spontaneously accumulate at the nodal lines, completely inverting the self-organized particle pattern on the wave. From a potential energy estimate we show (i) that at low ϕ antinode clusters are energetically favorable over nodal ones and (ii) how this situation reverses at high ϕ, in agreement with the experiment.

Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative

PubMed Central

Peters, Lars; Ghosh, Saurabh; Sanyal, Biplab; van Dijk, Chris; Bowlan, John; de Heer, Walt; Delin, Anna; Di Marco, Igor; Eriksson, Olle; Katsnelson, Mikhail I.; Johansson, Börje; Kirilyuk, Andrei

2016-01-01

Here we follow, both experimentally and theoretically, the development of magnetism in Tb clusters from the atomic limit, adding one atom at a time. The exchange interaction is, surprisingly, observed to drastically increase compared to that of bulk, and to exhibit irregular oscillations as a function of the interatomic distance. From electronic structure theory we find that the theoretical magnetic moments oscillate with cluster size in exact agreement with experimental data. Unlike the bulk, the oscillation is not caused by the RKKY mechanism. Instead, the inter-atomic exchange is shown to be driven by a competition between wave-function overlap of the 5d shell and the on-site exchange interaction, which leads to a competition between ferromagnetic double-exchange and antiferromagnetic super-exchange. This understanding opens up new ways to tune the magnetic properties of rare-earth based magnets with nano-sized building blocks. PMID:26795239

Dyadic Green's function of a cluster of spheres.

PubMed

Moneda, Angela P; Chrissoulidis, Dimitrios P

2007-11-01

The electric dyadic Green's function (dGf) of a cluster of spheres is obtained by application of the superposition principle, dyadic algebra, and the indirect mode-matching method. The analysis results in a set of linear equations for the unknown, vector, wave amplitudes of the dGf; that set is solved by truncation and matrix inversion. The theory is exact in the sense that no simplifying assumptions are made in the analytical steps leading to the dGf, and it is general in the sense that any number, position, size and electrical properties can be considered for the spheres that cluster together. The point source can be anywhere, even within one of the spheres. Energy conservation, reciprocity, and other tests prove that this solution is correct. Numerical results are presented for an electric Hertz dipole radiating in the presence of an array of rexolite spheres, which manifests lensing and beam-forming capabilities.

Nuclear structure studies performed using the (18O,16O) two-neutron transfer reactions

NASA Astrophysics Data System (ADS)

Carbone, D.; Agodi, C.; Cappuzzello, F.; Cavallaro, M.; Ferreira, J. L.; Foti, A.; Gargano, A.; Lenzi, S. M.; Linares, R.; Lubian, J.; Santagati, G.

2018-02-01

Excitation energy spectra and absolute cross section angular distributions were measured for the 13C(18O,16O)15C two-neutron transfer reaction at 84 MeV incident energy. This reaction selectively populates two-neutron configurations in the states of the residual nucleus. Exact finite-range coupled reaction channel calculations are used to analyse the data. Two approaches are discussed: the extreme cluster and the newly introduced microscopic cluster. The latter makes use of spectroscopic amplitudes in the centre of mass reference frame, derived from shell-model calculations using the Moshinsky transformation brackets. The results describe well the experimental cross section and highlight cluster configurations in the involved wave functions.

A statistical study of EMIC waves observed by Cluster. 1. Wave properties. EMIC Wave Properties

DOE PAGES

Allen, R. C.; Zhang, J. -C.; Kistler, L. M.; ...

2015-07-23

Electromagnetic ion cyclotron (EMIC) waves are an important mechanism for particle energization and losses inside the magnetosphere. In order to better understand the effects of these waves on particle dynamics, detailed information about the occurrence rate, wave power, ellipticity, normal angle, energy propagation angle distributions, and local plasma parameters are required. Previous statistical studies have used in situ observations to investigate the distribution of these parameters in the magnetic local time versus L-shell (MLT-L) frame within a limited magnetic latitude (MLAT) range. In our study, we present a statistical analysis of EMIC wave properties using 10 years (2001–2010) of datamore » from Cluster, totaling 25,431 min of wave activity. Due to the polar orbit of Cluster, we are able to investigate EMIC waves at all MLATs and MLTs. This allows us to further investigate the MLAT dependence of various wave properties inside different MLT sectors and further explore the effects of Shabansky orbits on EMIC wave generation and propagation. Thus, the statistical analysis is presented in two papers. OUr paper focuses on the wave occurrence distribution as well as the distribution of wave properties. The companion paper focuses on local plasma parameters during wave observations as well as wave generation proxies.« less

Ground-state geometries and stability of impurity doped clusters: LinBe and LinMg (n=1-12)

NASA Astrophysics Data System (ADS)

Deshpande, M.; Dhavale, A.; Zope, R. R.; Chacko, S.; Kanhere, D. G.

2000-12-01

We have investigated the ground-state geometries of LinBe and LinMg (n=1-12) clusters using ab initio molecular dynamics. These divalent impurities Be and Mg induce different geometries and follow a different growth path for n>5. LinMg clusters are significantly different from the host geometries while LinBe clusters can be approximately viewed as Be occupying an interstitial site in the host. Our results indicate that Be gets trapped inside the Li cage, while Mg remains on the surface of the cluster. Mg-induced geometries become three-dimensional earlier at n=4 as compared to the Be system. In spite of a distinct arrangement of atoms in both cases the character of the wave functions in the d manifold is remarkably similar. In both cases an eight valence electron system has been found to be the most stable, in conformity with the spherical jellium model.

Concepts of nuclear α-particle condensation

NASA Astrophysics Data System (ADS)

Funaki, Y.; Horiuchi, H.; von Oertzen, W.; Röpke, G.; Schuck, P.; Tohsaki, A.; Yamada, T.

2009-12-01

Certain aspects of the recently proposed antisymmetrized α-particle product state wave function, or THSR (Tohsaki-Horiuchi-Schuck-Röpke) α-cluster wave function, for the description of the ground state in Be8, the Hoyle state in C12, and analogous states in heavier nuclei are elaborated in detail. For instance, the influence of antisymmetrization in the Hoyle state on the bosonic character of the α particles is studied carefully. It is shown to be weak. Bosonic aspects in Hoyle and similar states in other self-conjugate nuclei are, therefore, predominant. Another issue is the de Broglie wavelength of α particles in the Hoyle state, which is shown to be much larger than the inter-α distance. It is pointed out that the bosonic features of low-density α gas states have measurable consequences, one of which, enhanced multi-α decay properties, has likely already been detected. Consistent with experiment, the width of the proposed analog to the Hoyle state in O16 at the excitation energy of Ex=15.1 MeV is estimated to be very small (34 keV), lending credit to the existence of heavier Hoyle-like states. The intrinsic single-boson density matrix of a self-bound Bose system can, under physically desirable boundary conditions, be defined unambiguously. One eigenvalue then separates out, being close to the number of α particles in the system. Differences between Brink and THSR α-cluster wave functions are worked out. No cluster model of the Brink type can describe the Hoyle state with a single configuration. On the contrary, many superpositions of the Brink type are necessary, implying delocalization toward an α-product state. It is shown that single α-particle orbits in condensates of different nuclei are almost the same. It is thus argued that α-particle (quartet) antisymmetrized product states of the THSR type are a very promising novel and useful concept in nuclear physics.

Chandra "Hears" A Black Hole For The First Time

NASA Astrophysics Data System (ADS)

2003-09-01

NASA's Chandra X-ray Observatory detected sound waves, for the first time, from a super-massive black hole. The "note" is the deepest ever detected from an object in the universe. The tremendous amounts of energy carried by these sound waves may solve a longstanding problem in astrophysics. The black hole resides in the Perseus cluster, located 250 million light years from Earth. In 2002, astronomers obtained a deep Chandra observation that shows ripples in the gas filling the cluster. These ripples are evidence for sound waves that have traveled hundreds of thousands of light years away from the cluster's central black hole. perseus animation Illustration of Ripples in Perseus "We have observed the prodigious amounts of light and heat created by black holes, now we have detected the sound," said Andrew Fabian of the Institute of Astronomy (IoA) in Cambridge, England, and leader of the study. In musical terms, the pitch of the sound generated by the black hole translates into the note of B flat. But, a human would have no chance of hearing this cosmic performance, because the note is 57 octaves lower than middle-C (by comparison a typical piano contains only about seven octaves). At a frequency over a million, billion times deeper than the limits of human hearing, this is the deepest note ever detected from an object in the universe. "The Perseus sound waves are much more than just an interesting form of black hole acoustics," said Steve Allen, also of the IoA and a co-investigator in the research. "These sound waves may be the key in figuring out how galaxy clusters, the largest structures in the universe, grow," Allen said. For years astronomers have tried to understand why there is so much hot gas in galaxy clusters and so little cool gas. Hot gas glowing with X-rays should cool, and the dense central gas should cool the fastest. The pressure in this cool central gas should then fall, causing gas further out to sink in towards the galaxy, forming trillions of stars along the way. Scant evidence has been found for such a flow of cool gas or star formation. This forced astronomers to invent several different ways to explain why the gas contained in clusters remained hot, and, until now, none of them was satisfactory. perseus animation Animation of Sound Waves Generated in Perseus Cluster of Ripples in Perseus Heating caused by a central black hole has long been considered a good way to prevent cluster gas from cooling. Although jets have been observed at radio wavelengths, their effect on cluster gas was unclear since this gas is only detectable in X-rays, and early X-ray observations did not have Chandra's ability to find detailed structure. Previous Chandra observations of the Perseus cluster showed two vast, bubble-shaped cavities in the cluster gas extending away from the central black hole. Jets of material pushing back the cluster gas have formed these X-ray cavities, which are bright sources of radio waves. They have long been suspected of heating the surrounding gas, but the mechanism was unknown. The sound waves, seen spreading out from the cavities in the recent Chandra observation, could provide this heating mechanism. A tremendous amount of energy is needed to generate the cavities, as much as the combined energy from 100 million supernovae. Much of this energy is carried by the sound waves and should dissipate in the cluster gas, keeping the gas warm and possibly preventing a cooling flow. If so, the B-flat pitch of the sound wave, 57 octaves below middle-C, would have remained roughly constant for about 2.5 billion years. Perseus is the brightest cluster of galaxies in X-rays, and therefore was a perfect Chandra target for finding sound waves rippling through the hot cluster gas. Other clusters show X-ray cavities, and future Chandra observations may yet detect sound waves in these objects.

Generation of Internal Waves by Buoyant Bubbles in Galaxy Clusters and Heating of Intracluster Medium

NASA Astrophysics Data System (ADS)

Zhang, Congyao; Churazov, Eugene; Schekochihin, Alexander A.

2018-05-01

Buoyant bubbles of relativistic plasma in cluster cores plausibly play a key role in conveying the energy from a supermassive black hole to the intracluster medium (ICM) - the process known as radio-mode AGN feedback. Energy conservation guarantees that a bubble loses most of its energy to the ICM after crossing several pressure scale heights. However, actual processes responsible for transferring the energy to the ICM are still being debated. One attractive possibility is the excitation of internal waves, which are trapped in the cluster's core and eventually dissipate. Here we show that a sufficient condition for efficient excitation of these waves in stratified cluster atmospheres is flattening of the bubbles in the radial direction. In our numerical simulations, we model the bubbles phenomenologically as rigid bodies buoyantly rising in the stratified cluster atmosphere. We find that the terminal velocities of the flattened bubbles are small enough so that the Froude number Fr ≲ 1. The effects of stratification make the dominant contribution to the total drag force balancing the buoyancy force. Clear signs of internal waves are seen in the simulations. These waves propagate horizontally and downwards from the rising bubble, spreading their energy over large volumes of the ICM. If our findings are scaled to the conditions of the Perseus cluster, the expected terminal velocity is ˜100 - 200 km s-1 near the cluster cores, which is in broad agreement with direct measurements by the Hitomi satellite.

Reexamining cluster radioactivity in trans-lead nuclei with consideration of specific density distributions in daughter nuclei and clusters

NASA Astrophysics Data System (ADS)

Qian, Yibin; Ren, Zhongzhou; Ni, Dongdong

2016-08-01

We further investigate the cluster emission from heavy nuclei beyond the lead region in the framework of the preformed cluster model. The refined cluster-core potential is constructed by the double-folding integral of the density distributions of the daughter nucleus and the emitted cluster, where the radius or the diffuseness parameter in the Fermi density distribution formula is determined according to the available experimental data on the charge radii and the neutron skin thickness. The Schrödinger equation of the cluster-daughter relative motion is then solved within the outgoing Coulomb wave-function boundary conditions to obtain the decay width. It is found that the present decay width of cluster emitters is clearly enhanced as compared to that in the previous case, which involved the fixed parametrization for the density distributions of daughter nuclei and clusters. Among the whole procedure, the nuclear deformation of clusters is also introduced into the calculations, and the degree of its influence on the final decay half-life is checked to some extent. Moreover, the effect from the bubble density distribution of clusters on the final decay width is carefully discussed by using the central depressed distribution.

Link between EMIC waves in a plasmaspheric plume and a detached sub-auroral proton arc with observations of Cluster and IMAGE satellites

NASA Astrophysics Data System (ADS)

Yuan, Zhigang; Deng, Xiaohua; Lin, Xi; Pang, Ye; Zhou, Meng; Décréau, P. M. E.; Trotignon, J. G.; Lucek, E.; Frey, H. U.; Wang, Jingfang

2010-04-01

In this paper, we report observations from a Cluster satellite showing that ULF wave occurred in the outer boundary of a plasmaspheric plume on September 4, 2005. The band of observed ULF waves is between the He+ ion gyrofrequency and O+ ion gyrofrequency at the equatorial plane, implying that those ULF waves can be identified as EMIC waves generated by ring current ions in the equatorial plane and strongly affected by rich cold He+ ions in plasmaspheric plumes. During the interval of observed EMIC waves, the footprint of Cluster SC3 lies in a subauroral proton arc observed by the IMAGE FUV instrument, demonstrating that the subauroral proton arc was caused by energetic ring current protons scattered into the loss cone under the Ring Current (RC)-EMIC interaction in the plasmaspheric plume. Therefore, the paper provides a direct proof that EMIC waves can be generated in the plasmaspheric plume and scatter RC ions to cause subauroral proton arcs.

Electronic structure of dye-sensitized TiO2 clusters from many-body perturbation theory

NASA Astrophysics Data System (ADS)

Marom, Noa; Moussa, Jonathan E.; Ren, Xinguo; Tkatchenko, Alexandre; Chelikowsky, James R.

2011-12-01

The development of new types of solar cells is driven by the need for clean and sustainable energy. In this respect dye-sensitized solar cells (DSC) are considered as a promising route for departing from the traditional solid state cells. The physical insight provided by computational modeling may help develop improved DSCs. To this end, it is important to obtain an accurate description of the electronic structure, including the fundamental gaps and level alignment at the dye-TiO2 interface. This requires a treatment beyond ground-state density functional theory (DFT). We present a many-body perturbation theory study, within the G0W0 approximation, of two of the crystalline phases of dye-sensitized TiO2 clusters, reported by Benedict and Coppens, [J. Am. Chem. Soc.JACSAT0002-786310.1021/ja909600w 132, 2938 (2010)]. We obtain geometries in good agreement with the experiment by using DFT with the Tkatchenko-Scheffler van der Waals correction. We demonstrate that even when DFT gives a good description of the valence spectrum and a qualitatively correct picture of the electronic structure of the dye-TiO2 interface, G0W0 calculations yield more valuable quantitative information regarding the fundamental gaps and level alignment. In addition, we systematically investigate the issues pertaining to G0W0 calculations, namely: (i) convergence with respect to the number of basis functions, (ii) dependence on the mean-field starting point, and (iii) the validity of the assumption that the DFT wave function is a good approximation to the quasiparticle wave function. We show how these issues are manifested for dye molecules and for dye-sensitized TiO2 clusters.

A stochastic fault model. 2. Time-dependent case.

USGS Publications Warehouse

Andrews, D.J.

1981-01-01

A random model of fault motion in an earthquake is formulated by assuming that the slip velocity is a random function of position and time truncated at zero, so that it does not have negative values. This random function is chosen to be self-affine; that is, on change of length scale, the function is multiplied by a scale factor but is otherwise unchanged statistically. A snapshot of slip velocity at a given time resembles a cluster of islands with rough topography; the final slip function is a smoother island or cluster of islands. In the Fourier transform domain, shear traction on the fault equals the slip velocity times an impedance function. The fact that this impedance function has a pole at zero frequency implies that traction and slip velocity cannot have the same spectral dependence in space and time. To describe stress fluctuations of the order of 100 bars when smoothed over a length of kilometers and of the order of kilobars at the grain size, shear traction must have a one-dimensional power spectrum is space proportional to the reciprocal wave number. Then the one-dimensional power spectrum for the slip velocity is proportional to the reciprocal wave number squared and for slip to its cube. If slip velocity has the same power law spectrum in time as in space, then the spectrum of ground acceleration with be flat (white noise) both on the fault and in the far field.-Author

Stochastic fire-diffuse-fire model with realistic cluster dynamics.

PubMed

Calabrese, Ana; Fraiman, Daniel; Zysman, Daniel; Ponce Dawson, Silvina

2010-09-01

Living organisms use waves that propagate through excitable media to transport information. Ca2+ waves are a paradigmatic example of this type of processes. A large hierarchy of Ca2+ signals that range from localized release events to global waves has been observed in Xenopus laevis oocytes. In these cells, Ca2+ release occurs trough inositol 1,4,5-trisphosphate receptors (IP3Rs) which are organized in clusters of channels located on the membrane of the endoplasmic reticulum. In this article we construct a stochastic model for a cluster of IP3R 's that replicates the experimental observations reported in [D. Fraiman, Biophys. J. 90, 3897 (2006)]. We then couple this phenomenological cluster model with a reaction-diffusion equation, so as to have a discrete stochastic model for calcium dynamics. The model we propose describes the transition regimes between isolated release and steadily propagating waves as the IP3 concentration is increased.

Comparison of disease clusters in two elderly populations hospitalized in 2008 and 2010.

PubMed

Marengoni, A; Nobili, A; Pirali, C; Tettamanti, M; Pasina, L; Salerno, F; Corrao, S; Iorio, A; Marcucci, M; Franchi, C; Mannucci, P M

2013-01-01

As chronicity represents one of the major challenges in the healthcare of aging populations, the understanding of how chronic diseases distribute and co-occur in this part of the population is needed. The aims of this study were to evaluate and compare patterns of diseases identified with cluster analysis in two samples of hospitalized elderly. Data were obtained from the multicenter 'Registry Politerapie SIMI (REPOSI)' that included people aged 65 or older hospitalized in internal medicine and geriatric wards in Italy during 2008 and 2010. The study sample from the first wave included 1,411 subjects enrolled in 38 hospitals wards, whereas the second wave included 1,380 subjects in 66 wards located in different regions of Italy. To analyze patterns of multimorbidity, a cluster analysis was performed including the same diseases (19 chronic conditions with a prevalence >5%) collected at hospital discharge during the two waves of the registry. Eight clusters of diseases were identified in the first wave of the REPOSI registry and six in the second wave. Several diseases were included in similar clusters in the two waves, such as malignancy and liver cirrhosis; anemia, gastric and intestinal diseases; diabetes and coronary heart disease; chronic obstructive pulmonary disease and prostate hypertrophy. These findings strengthened the idea of an association other than by chance of diseases in the elderly population. Copyright © 2013 S. Karger AG, Basel.

A Computational Linguistic Measure of Clustering Behavior on Semantic Verbal Fluency Task Predicts Risk of Future Dementia in the Nun Study

PubMed Central

Pakhomov, Serguei V.S.; Hemmy, Laura S.

2014-01-01

Generative semantic verbal fluency (SVF) tests show early and disproportionate decline relative to other abilities in individuals developing Alzheimer’s disease. Optimal performance on SVF tests depends on the efficiency of using clustered organization of semantically related items and the ability to switch between clusters. Traditional approaches to clustering and switching have relied on manual determination of clusters. We evaluated a novel automated computational linguistic approach for quantifying clustering behavior. Our approach is based on Latent Semantic Analysis (LSA) for computing strength of semantic relatedness between pairs of words produced in response to SVF test. The mean size of semantic clusters (MCS) and semantic chains (MChS) are calculated based on pairwise relatedness values between words. We evaluated the predictive validity of these measures on a set of 239 participants in the Nun Study, a longitudinal study of aging. All were cognitively intact at baseline assessment, measured with the CERAD battery, and were followed in 18 month waves for up to 20 years. The onset of either dementia or memory impairment were used as outcomes in Cox proportional hazards models adjusted for age and education and censored at follow up waves 5 (6.3 years) and 13 (16.96 years). Higher MCS was associated with 38% reduction in dementia risk at wave 5 and 26% reduction at wave 13, but not with the onset of memory impairment. Higher (+1 SD) MChS was associated with 39% dementia risk reduction at wave 5 but not wave 13, and association with memory impairment was not significant. Higher traditional SVF scores were associated with 22–29% memory impairment and 35–40% dementia risk reduction. SVF scores were not correlated with either MCS or MChS. Our study suggests that an automated approach to measuring clustering behavior can be used to estimate dementia risk in cognitively normal individuals. PMID:23845236

A computational linguistic measure of clustering behavior on semantic verbal fluency task predicts risk of future dementia in the nun study.

PubMed

Pakhomov, Serguei V S; Hemmy, Laura S

2014-06-01

Generative semantic verbal fluency (SVF) tests show early and disproportionate decline relative to other abilities in individuals developing Alzheimer's disease. Optimal performance on SVF tests depends on the efficiency of using clustered organization of semantically related items and the ability to switch between clusters. Traditional approaches to clustering and switching have relied on manual determination of clusters. We evaluated a novel automated computational linguistic approach for quantifying clustering behavior. Our approach is based on Latent Semantic Analysis (LSA) for computing strength of semantic relatedness between pairs of words produced in response to SVF test. The mean size of semantic clusters (MCS) and semantic chains (MChS) are calculated based on pairwise relatedness values between words. We evaluated the predictive validity of these measures on a set of 239 participants in the Nun Study, a longitudinal study of aging. All were cognitively intact at baseline assessment, measured with the Consortium to Establish a Registry for Alzheimer's Disease (CERAD) battery, and were followed in 18-month waves for up to 20 years. The onset of either dementia or memory impairment were used as outcomes in Cox proportional hazards models adjusted for age and education and censored at follow-up waves 5 (6.3 years) and 13 (16.96 years). Higher MCS was associated with 38% reduction in dementia risk at wave 5 and 26% reduction at wave 13, but not with the onset of memory impairment. Higher [+1 standard deviation (SD)] MChS was associated with 39% dementia risk reduction at wave 5 but not wave 13, and association with memory impairment was not significant. Higher traditional SVF scores were associated with 22-29% memory impairment and 35-40% dementia risk reduction. SVF scores were not correlated with either MCS or MChS. Our study suggests that an automated approach to measuring clustering behavior can be used to estimate dementia risk in cognitively normal individuals. Copyright © 2013 Elsevier Ltd. All rights reserved.

Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluids

NASA Astrophysics Data System (ADS)

Krotscheck, E.

1985-04-01

We develop a general variational theory for inhomogeneous Fermi systems such as the electron gas in a metal surface, the surface of liquid 3He, or simple models of heavy nuclei. The ground-state wave function is expressed in terms of two-body correlations, a one-body attenuation factor, and a model-system Slater determinant. Massive partial summations of cluster expansions are performed by means of Born-Green-Yvon and hypernetted-chain techniques. An optimal single-particle basis is generated by a generalized Hartree-Fock equation in which the two-body correlations screen the bare interparticle interaction. The optimization of the pair correlations leads to a state-averaged random-phase-approximation equation and a strictly microscopic determination of the particle-hole interaction.

A note on the accuracy of KS-DFT densities

NASA Astrophysics Data System (ADS)

Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.

2017-11-01

The accuracy of the density of wave function methods and Kohn-Sham (KS) density functionals is studied using moments of the density, ⟨rn ⟩ =∫ ρ (r )rnd τ =∫0∞4 π r2ρ (r ) rnd r ,where n =-1 ,-2,0,1,2 ,and 3 provides information about the short- and long-range behavior of the density. Coupled cluster (CC) singles, doubles, and perturbative triples (CCSD(T)) is considered as the reference density. Three test sets are considered: boron through neon neutral atoms, two and four electron cations, and 3d transition metals. The total density and valence only density are distinguished by dropping appropriate core orbitals. Among density functionals tested, CAMQTP00 and ωB97x show the least deviation for boron through neon neutral atoms. They also show accurate eigenvalues for the HOMO indicating that they should have a more correct long-range behavior for the density. For transition metals, some density functional approximations outperform some wave function methods, suggesting that the KS determinant could be a better starting point for some kinds of correlated calculations. By using generalized many-body perturbation theory (MBPT), the convergence of second-, third-, and fourth-order KS-MBPT for the density is addressed as it converges to the infinite-order coupled cluster result. For the transition metal test set, the deviations in the KS density functional theory methods depend on the amount of exact exchange the functional uses. Functionals with exact exchange close to 25% show smaller deviations from the CCSD(T) density.

Clustering of Ca2+ transients in interstitial cells of Cajal defines slow wave duration

PubMed Central

Drumm, Bernard T.; Hennig, Grant W.; Battersby, Matthew J.; Sung, Tae Sik

2017-01-01

Interstitial cells of Cajal (ICC) in the myenteric plexus region (ICC-MY) of the small intestine are pacemakers that generate rhythmic depolarizations known as slow waves. Slow waves depend on activation of Ca2+-activated Cl− channels (ANO1) in ICC, propagate actively within networks of ICC-MY, and conduct to smooth muscle cells where they generate action potentials and phasic contractions. Thus, mechanisms of Ca2+ regulation in ICC are fundamental to the motor patterns of the bowel. Here, we characterize the nature of Ca2+ transients in ICC-MY within intact muscles, using mice expressing a genetically encoded Ca2+ sensor, GCaMP3, in ICC. Ca2+ transients in ICC-MY display a complex firing pattern caused by localized Ca2+ release events arising from multiple sites in cell somata and processes. Ca2+ transients are clustered within the time course of slow waves but fire asynchronously during these clusters. The durations of Ca2+ transient clusters (CTCs) correspond to slow wave durations (plateau phase). Simultaneous imaging and intracellular electrical recordings revealed that the upstroke depolarization of slow waves precedes clusters of Ca2+ transients. Summation of CTCs results in relatively uniform Ca2+ responses from one slow wave to another. These Ca2+ transients are caused by Ca2+ release from intracellular stores and depend on ryanodine receptors as well as amplification from IP3 receptors. Reduced extracellular Ca2+ concentrations and T-type Ca2+ channel blockers decreased the number of firing sites and firing probability of Ca2+ transients. In summary, the fundamental electrical events of small intestinal muscles generated by ICC-MY depend on asynchronous firing of Ca2+ transients from multiple intracellular release sites. These events are organized into clusters by Ca2+ influx through T-type Ca2+ channels to sustain activation of ANO1 channels and generate the plateau phase of slow waves. PMID:28592421

Direct Determination of Wavenumbers of ULF Waves Using the Cluster Multipoint and Multicomponent Measurements

NASA Astrophysics Data System (ADS)

Grison, B.; Escoubet, C.; Santolik, O.; Cornilleau-Wehrlin, N.

2013-12-01

The wavenumber is a key parameter to understand the physics of the interactions between the electromagnetic waves and the ionized particles in space plasmas. Search-coil magnetometers and electric antennas measure time series of both magnetic and electric field fluctuations, respectively. The fleet of four Cluster spacecraft made possible to determine the full wave vector and even to differentiate the waves present at the same frequency in the spacecraft frame through various techniques: k-filtering analysis, wave telescope, phase differentiating method. However the fleet configuration (inter-spacecraft separation, tetrahedron elongation and planarity) limit the possibilities to use these techniques. From single spacecraft measurements, assumptions concerning the wave mode -and thus, concerning the physical processes- are usually required to derive the corresponding wavenumber. Using three orthogonal magnetic components and two electric antennas, it is possible to estimate n/Z where n is the refractive index and Z the transfer function of the interface between the plasma and the electric antennas. For ULF waves we assume Z=1 and we thus obtain the wavenumber. We test this hypothesis on a case where the spacecraft are in a close configuration in the distant cusp region and where we are able to apply the k-filtering analysis, too. The results obtained by multispacecraft and multicomponents analysis are close to each other and permit us to precise the value of Z. We test this procedure on several events (in various regions of the magnetosphere) in order to get more precise wave number measurements from the single spacecraft analysis. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7-SPACE-2010-1) under grant agreement n. 284520 (MAARBLE).

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

First simultaneous measurements of waves generated at the bow shock in the solar wind, the magnetosphere and on the ground

NASA Astrophysics Data System (ADS)

Clausen, L. B. N.; Yeoman, T. K.; Fear, R. C.; Behlke, R.; Lucek, E. A.; Engebretson, M. J.

2009-01-01

On 5 September 2002 the Geotail satellite observed the cone angle of the Interplanetary Magnetic Field (IMF) change to values below 30° during a 56 min interval between 18:14 and 19:10 UT. This triggered the generation of upstream waves at the bow shock, 13 RE downstream of the position of Geotail. Upstream generated waves were subsequently observed by Geotail between 18:30 and 18:48 UT, during times the IMF cone angle dropped below values of 10°. At 18:24 UT all four Cluster satellites simultaneously observed a sudden increase in wave power in all three magnetic field components, independent of their position in the dayside magnetosphere. We show that the 10 min delay between the change in IMF direction as observed by Geotail and the increase in wave power observed by Cluster is consistent with the propagation of the IMF change from the Geotail position to the bow shock and the propagation of the generated waves through the bow shock, magnetosheath and magnetosphere towards the position of the Cluster satellites. We go on to show that the wave power recorded by the Cluster satellites in the component containing the poloidal and compressional pulsations was broadband and unstructured; the power in the component containing toroidal oscillations was structured and shows the existence of multi-harmonic Alfvénic continuum waves on field lines. Model predictions of these frequencies fit well with the observations. An increase in wave power associated with the change in IMF direction was also registered by ground based magnetometers which were magnetically conjunct with the Cluster satellites during the event. To the best of our knowledge we present the first simultaneous observations of waves created by backstreaming ions at the bow shock in the solar wind, the dayside magnetosphere and on the ground.

Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2 (110) Intermolecular Interaction

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

Yang, Li; Tunega, Daniel; Xu, Lai

2013-08-29

In a previous study (J. Phys. Chem. C 2011, 115, 12403) cluster models for the TiO2 rutile (110) surface and MP2 calculations were used to develop an analytic potential energy function for dimethyl methylphosphonate (DMMP) interacting with this surface. In the work presented here, this analytic potential and MP2 cluster models are compared with DFT "slab" calculations for DMMP interacting with the TiO2 (110) surface and with DFT cluster models for the TiO2 (110) surface. The DFT slab calculations were performed with the PW91 and PBE functionals. The analytic potential gives DMMP/ TiO2 (110) potential energy curves in excellent agreementmore » with those obtained from the slab calculations. The cluster models for the TiO2 (110) surface, used for the MP2 calculations, were extended to DFT calculations with the B3LYP, PW91, and PBE functional. These DFT calculations do not give DMMP/TiO2 (110) interaction energies which agree with those from the DFT slab calculations. Analyses of the wave functions for these cluster models show that they do not accurately represent the HOMO and LUMO for the surface, which should be 2p and 3d orbitals, respectively, and the models also do not give an accurate band gap. The MP2 cluster models do not accurately represent the LUMO and that they give accurate DMMP/TiO2 (110) interaction energies is apparently fortuitous, arising from their highly inaccurate band gaps. Accurate cluster models, consisting of 7, 10, and 15 Ti-atoms and which have the correct HOMO and LUMO properties, are proposed. The work presented here illustrates the care that must be taken in "constructing" cluster models which accurately model surfaces.« less

Next Generation Energetic Materials: New Cluster Hydrides and Metastable Alloys of Aluminum in Very Low Oxidation States

DTIC Science & Technology

2016-10-01

in the spectrum is the vertical detachment energy, VDE , which reflects the maximum Franck-Condon overlap between the wave functions of the anion’s...i.e., its estimated EA value. Table I presents both calculated and measured values of VDE and of ADE/EA. Below, the five designated cluster anion...Focusing on the lower energy transition, the calculated values of ADE and VDE for isomers 1 (1.20 eV and 1.63 eV), 2 (1.18 eV and 1.47 eV), and 3

Thalamic Atrophy Contributes to Low Slow Wave Sleep in Neuromyelitis Optica Spectrum Disorder.

PubMed

Su, Lei; Han, Yujuan; Xue, Rong; Wood, Kristofer; Shi, Fu-Dong; Liu, Yaou; Fu, Ying

2016-12-01

Slow wave sleep abnormality has been reported in neuromyelitis optica spectrum disorder (NMOSD), but mechanism for such abnormality is unknown. To determine the structural defects in the brain that account for the decrease of slow wave sleep in NMOSD patients. Thirty-three NMOSD patients and 18 matched healthy controls (HC) were enrolled. Polysomnography was used to monitor slow wave sleep and three-dimensional T1-weighted MRIs were obtained to assess the alterations of grey matter volume. The percentage of deep slow wave sleep decreased in 93% NMOSD patients. Compared to HC, a reduction of grey matter volume was found in the bilateral thalamus of patients with a lower percentage of slow wave sleep (FWE corrected at cluster-level, p < 0.05, cluster size > 400 voxels). Furthermore, the right thalamic fraction was positively correlated with the decrease in the percentage of slow wave sleep in NMOSD patients (p < 0.05, FDR corrected, cluster size > 200 voxels). Our study identified that thalamic atrophy is associated with the decrease of slow wave sleep in NMOSD patients. Further studies should evaluate whether neurotransmitters or hormones which stem from thalamus are involved in the decrease of slow wave sleep.

Functional Coordination of WAVE and WASP in C. elegans Neuroblast Migration.

PubMed

Zhu, Zhiwen; Chai, Yongping; Jiang, Yuxiang; Li, Wenjing; Hu, Huifang; Li, Wei; Wu, Jia-Wei; Wang, Zhi-Xin; Huang, Shanjin; Ou, Guangshuo

2016-10-24

Directional cell migration is critical for metazoan development. We define two molecular pathways that activate the Arp2/3 complex during neuroblast migration in Caenorhabditis elegans. The transmembrane protein MIG-13/Lrp12 is linked to the Arp2/3 nucleation-promoting factors WAVE or WASP through direct interactions with ABL-1 or SEM-5/Grb2, respectively. WAVE mutations partially impaired F-actin organization and decelerated cell migration, and WASP mutations did not inhibit cell migration but enhanced migration defects in WAVE-deficient cells. Purified SEM-5 and MIG-2 synergistically stimulated the F-actin branching activity of WASP-Arp2/3 in vitro. In GFP knockin animals, WAVE and WASP were largely organized into separate clusters at the leading edge, and the amount of WASP was less than WAVE but could be elevated by WAVE mutations. Our results indicate that the MIG-13-WAVE pathway provides the major force for directional cell motility, whereas MIG-13-WASP partially compensates for its loss, underscoring their coordinated activities in facilitating robust cell migration. Copyright © 2016 Elsevier Inc. All rights reserved.

Gravitational waves from primordial black hole mergers

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

Raidal, Martti; Vaskonen, Ville; Veermäe, Hardi, E-mail: martti.raidal@cern.ch, E-mail: ville.vaskonen@kbfi.ee, E-mail: hardi.veermae@cern.ch

We study the production of primordial black hole (PBH) binaries and the resulting merger rate, accounting for an extended PBH mass function and the possibility of a clustered spatial distribution. Under the hypothesis that the gravitational wave events observed by LIGO were caused by PBH mergers, we show that it is possible to satisfy all present constraints on the PBH abundance, and find the viable parameter range for the lognormal PBH mass function. The non-observation of a gravitational wave background allows us to derive constraints on the fraction of dark matter in PBHs, which are stronger than any other currentmore » constraint in the PBH mass range 0.5−30 M {sub ⊙}. We show that the predicted gravitational wave background can be observed by the coming runs of LIGO, and its non-observation would indicate that the observed events are not of primordial origin. As the PBH mergers convert matter into radiation, they may have interesting cosmological implications, for example in the context of relieving the tension between high and low redshift measurements of the Hubble constant. However, we find that these effects are suppressed as, after recombination, no more that 1% of dark matter can be converted into gravitational waves.« less

[Influence of acupuncture of Zusanli (ST 36) on connectivity of brain functional network in healthy subjects].

PubMed

Li, Nuo; Wang, Pang; Deng, Bin; Wei, Xi-le; Che, Yan-qiu; Jia, Chen-hui; Guo, Yi; Chao, Wang

2011-08-01

To observe the effect of acupuncture of Zusanli (ST 36) on electroencephalogram (EEG) so as to probe into its law in regulating the interconnectivity of brain functional network. A total of 9 healthy young volunteer students (6 male, 3 female) participated in the present study. They were asked to take a dorsal position on a test-bed. EEG signals were acquired from 22 surface scalp electrodes (Fp1, Fp2, F7, F3, F2, F4, F8, A1, T3, C3, C2, C4, T4, A2, T5, P3, P2, P4, T6, O2, O1 and O2) fixed on the subject's head. Acupuncture stimulation was applied to the right Zusanli (ST 36) by manipulating the filiform needle with uniform reducing-reinforcing method and at a frequency of about 50 cycles/min for 2 min. Then the stimulation was stopped for 10 min, and repeated once again (needle-twirling frequency: 150 and 200 cycles/min), 3 times altogether. The acquired EEG data were analyzed by using coherence estimation method, average path length, average clustering coefficient, and the average degree of the articulation points (nodes) for analyzing the synchronization of EEG signals before, during and after acupuncture. In comparison with pre-acupuncture, the coherence amplitude values of EEG-delta (1-4 Hz) and y (31-47 Hz) waves were increased significantly after acupuncture of ST 36. No significant changes were found in the amplitude values of EEG-theta (5-8 Hz), -alpha (9-13 Hz) and-beta (14-30 Hz) waves after acupuncture stimulation. During and after acupuncture, the synchronism values of EEG-delta waves of different leads and numbers of interconnectivity between every two brain functional regions in majority of the 9 volunteers were increased clearly. In all volunteers, the degree values of all nodes except A1 and A2, the average clustering coefficients along with the increase of the threshold (r), and the average path lengths of the brain functional network of EEG-delta waves during and after acupuncture were also increased evidently (the latter two items, P < 0.05), suggesting an increase of the information exchange and functional connectivity of different brain regions. Acupuncture of Zusanli (ST 36) can increase the amplitude and synchronization of EEG-delta waves of different leads, and potentiate the functional interconnectivity of brain functional network.

Fragment-based 13C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

NASA Astrophysics Data System (ADS)

Hartman, Joshua D.; Monaco, Stephen; Schatschneider, Bohdan; Beran, Gregory J. O.

2015-09-01

We assess the quality of fragment-based ab initio isotropic 13C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic 13C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

Fragment-based (13)C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods.

PubMed

Hartman, Joshua D; Monaco, Stephen; Schatschneider, Bohdan; Beran, Gregory J O

2015-09-14

We assess the quality of fragment-based ab initio isotropic (13)C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic (13)C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

Variability of ULF wave power at the magnetopause: a study at low latitude with Cluster data

NASA Astrophysics Data System (ADS)

Cornilleau-Wehrlin, N.; Grison, B.; Belmont, G.; Rezeau, L.; Chanteur, G.; Robert, P.; Canu, P.

2012-04-01

Strong ULF wave activity has been observed at magnetopause crossings since a long time. Those turbulent-like waves are possible contributors to particle penetration from the Solar Wind to the Magnetosphere through the magnetopause. Statistical studies have been performed to understand under which conditions the ULF wave power is the most intense and thus the waves can be the most efficient for particle transport from one region to the other. Clearly the solar wind pressure organizes the data, the stronger the pressure, the higher the ULF power (Attié et al 2008). Double STAR-Cluster comparison has shown that ULF wave power is stronger at low latitude than at high latitude (Cornilleau-Wehrlin et al, 2008). The different studies performed have not, up to now, shown a stronger power in the vicinity of local noon. Nevertheless under identical activity conditions, the variability of this power, even at a given location in latitude and local time is very high. The present work intends at understanding this variability by means of the multi spacecraft mission Cluster. The data used are from spring 2008, while Cluster was crossing the magnetopause at low latitude, in particularly quite Solar Wind conditions. The first region of interest of this study is the sub-solar point vicinity where the long wavelength surface wave effects are most unlikely.

Application of relativistic coupled-cluster theory to electron impact excitation of Mg+ in the plasma environment

NASA Astrophysics Data System (ADS)

Sharma, Lalita; Sahoo, Bijaya Kumar; Malkar, Pooja; Srivastava, Rajesh

2018-01-01

A relativistic coupled-cluster theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the 3 s 2 S 1/2-3 p 2 P 1/2;3/2 resonance transitions are investigated in the singly charged magnesium (Mg+) ion using this theory. Accuracies of wave functions of Mg+ are justified by evaluating its attachment energies of the relevant states and compared with the experimental values. The continuum wave function of the projectile electron are obtained by solving Dirac equations assuming distortion potential as static potential of the ground state of Mg+. Comparison of the calculated electron impact excitation differential and total cross-sections with the available measurements are found to be in very good agreements at various incident electron energies. Further, calculations are carried out in the plasma environment in the Debye-Hückel model framework, which could be useful in the astrophysics. Influence of plasma strength on the cross-sections as well as linear polarization of the photon emission in the 3 p 2 P 3/2-3 s 2 S 1/2 transition is investigated for different incident electron energies.

An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.

PubMed

Datta, Dipayan; Mukherjee, Debashis

2009-07-28

In this paper, we present a comprehensive account of an explicitly spin-free compact state-universal multireference coupled cluster (CC) formalism for computing the state energies of simple open-shell systems, e.g., doublets and biradicals, where the target open-shell states can be described by a few configuration state functions spanning a model space. The cluster operators in this formalism are defined in terms of the spin-free unitary generators with respect to the common closed-shell component of all model functions (core) as vacuum. The spin-free cluster operators are either closed-shell-like n hole-n particle excitations (denoted by T(mu)) or involve excitations from the doubly occupied (nonvalence) orbitals to the singly occupied (valence) orbitals (denoted by S(e)(mu)). In addition, there are cluster operators with exchange spectator scatterings involving the valence orbitals (denoted by S(re)(mu)). We propose a new multireference cluster expansion ansatz for the wave operator with the above generally noncommuting cluster operators which essentially has the same physical content as the Jeziorski-Monkhorst ansatz with the commuting cluster operators defined in the spin-orbital basis. The T(mu) operators in our ansatz are taken to commute with all other operators, while the S(e)(mu) and S(re)(mu) operators are allowed to contract among themselves through the spectator valence orbitals. An important innovation of this ansatz is the choice of an appropriate automorphic factor accompanying each contracted composite of cluster operators in order to ensure that each distinct excitation generated by this composite appears only once in the wave operator. The resulting CC equations consist of two types of terms: a "direct" term and a "normalization" term containing the effective Hamiltonian operator. It is emphasized that the direct term is almost quartic in the cluster amplitudes, barring only a handful of terms and termination of the normalization term depends on the valence rank of the effective Hamiltonian operator and the excitation rank of the cluster operators at which the theory is truncated. Illustrative applications are presented by computing the state energies of neutral doublet radicals and doublet molecular cations and ionization energies of neutral molecules and comparing our results with the other open-shell CC theories, benchmark full CI results (when available) in the same basis, and the experimental results. Highly encouraging results show the efficacy of the method.

Optimization of a sensor cluster for determination of trajectories and velocities of supersonic objects

NASA Astrophysics Data System (ADS)

Cannella, Marco; Sciuto, Salvatore Andrea

2001-04-01

An evaluation of errors for a method for determination of trajectories and velocities of supersonic objects is conducted. The analytical study of a cluster, composed of three pressure transducers and generally used as an apparatus for cinematic determination of parameters of supersonic objects, is developed. Furthermore, detailed investigation into the accuracy of this cluster on determination of the slope of an incoming shock wave is carried out for optimization of the device. In particular, a specific non-dimensional parameter is proposed in order to evaluate accuracies for various values of parameters and reference graphs are provided in order to properly design the sensor cluster. Finally, on the basis of the error analysis conducted, a discussion on the best estimation of the relative distance for the sensor as a function of temporal resolution of the measuring system is presented.

From cluster structures to nuclear molecules: The role of nodal structure of the single-particle wave functions

NASA Astrophysics Data System (ADS)

Afanasjev, A. V.; Abusara, H.

2018-02-01

The nodal structure of the density distributions of the single-particle states occupied in rod-shaped, hyper- and megadeformed structures of nonrotating and rotating N ˜Z nuclei has been investigated in detail. The single-particle states with the Nilsson quantum numbers of the [N N 0 ]1 /2 (with N from 0 to 5) and [N ,N -1 ,1 ]Ω (with N from 1 to 3 and Ω =1 /2 , 3/2) types are considered. These states are building blocks of extremely deformed shapes in the nuclei with mass numbers A ≤50 . Because of (near) axial symmetry and large elongation of such structures, the wave functions of the single-particle states occupied are dominated by a single basis state in cylindrical basis. This basis state defines the nodal structure of the single-particle density distribution. The nodal structure of the single-particle density distributions allows us to understand in a relatively simple way the necessary conditions for α clusterization and the suppression of the α clusterization with the increase of mass number. It also explains in a natural way the coexistence of ellipsoidal mean-field-type structures and nuclear molecules at similar excitation energies and the features of particle-hole excitations connecting these two types of the structures. Our analysis of the nodal structure of the single-particle density distributions does not support the existence of quantum liquid phase for the deformations and nuclei under study.

CLUSTER STAFF search coils magnetometer calibration - comparisons with FGM

NASA Astrophysics Data System (ADS)

Robert, P.; Cornilleau-Wehrlin, N.; Piberne, R.; de Conchy, Y.; Lacombe, C.; Bouzid, V.; Grison, B.; Alison, D.; Canu, P.

2013-12-01

The main part of Cluster Spatio Temporal Analysis of Field Fluctuations (STAFF) experiment consists of triaxial search coils allowing the measurements of the three magnetic components of the waves from 0.1 Hz up to 4 kHz. Two sets of data are produced, one by a module to filter and transmit the corresponding waveform up to either 10 or 180 Hz (STAFF-SC) and the second by an onboard Spectrum Analyser (STAFF-SA) to compute the elements of the spectral matrix for five components of the waves, 3 × B and 2 × E (from EFW experiment) in the frequency range 8 Hz to 4 kHz. In order to understand the way the output signal of the search coils are calibrated, the transfer functions of the different parts of the instrument are described as well as the way to transform telemetry data into physical units, across various coordinate systems from the spinning sensors to a fixed and known frame. The instrument sensitivity is discussed. Cross-calibration inside STAFF (SC and SA) is presented. Results of cross-calibration between the STAFF search coils and the Cluster Flux Gate Magnetometer (FGM) data are discussed. It is shown that these cross-calibrations lead to an agreement between both data sets at low frequency within a 2% error. By means of statistics done over 10 yr, it is shown that the functionalities and characteristics of both instruments have not changed during this period.

CLUSTER-STAFF search coil magnetometer calibration - comparisons with FGM

NASA Astrophysics Data System (ADS)

Robert, P.; Cornilleau-Wehrlin, N.; Piberne, R.; de Conchy, Y.; Lacombe, C.; Bouzid, V.; Grison, B.; Alison, D.; Canu, P.

2014-09-01

The main part of the Cluster Spatio-Temporal Analysis of Field Fluctuations (STAFF) experiment consists of triaxial search coils allowing the measurements of the three magnetic components of the waves from 0.1 Hz up to 4 kHz. Two sets of data are produced, one by a module to filter and transmit the corresponding waveform up to either 10 or 180 Hz (STAFF-SC), and the second by the onboard Spectrum Analyser (STAFF-SA) to compute the elements of the spectral matrix for five components of the waves, 3 × B and 2 × E (from the EFW experiment), in the frequency range 8 Hz to 4 kHz. In order to understand the way the output signals of the search coils are calibrated, the transfer functions of the different parts of the instrument are described as well as the way to transform telemetry data into physical units across various coordinate systems from the spinning sensors to a fixed and known frame. The instrument sensitivity is discussed. Cross-calibration inside STAFF (SC and SA) is presented. Results of cross-calibration between the STAFF search coils and the Cluster Fluxgate Magnetometer (FGM) data are discussed. It is shown that these cross-calibrations lead to an agreement between both data sets at low frequency within a 2% error. By means of statistics done over 10 yr, it is shown that the functionalities and characteristics of both instruments have not changed during this period.

Gigantic Wave Discovered in Perseus Galaxy Cluster

NASA Image and Video Library

2017-12-08

Combining data from NASA's Chandra X-ray Observatory with radio observations and computer simulations, an international team of scientists has discovered a vast wave of hot gas in the nearby Perseus galaxy cluster. Spanning some 200,000 light-years, the wave is about twice the size of our own Milky Way galaxy. The researchers say the wave formed billions of years ago, after a small galaxy cluster grazed Perseus and caused its vast supply of gas to slosh around an enormous volume of space. "Perseus is one of the most massive nearby clusters and the brightest one in X-rays, so Chandra data provide us with unparalleled detail," said lead scientist Stephen Walker at NASA's Goddard Space Flight Center in Greenbelt, Maryland. "The wave we've identified is associated with the flyby of a smaller cluster, which shows that the merger activity that produced these giant structures is still ongoing." Read more at nasa.gov Credit: NASA's Goddard Space Flight Center/Stephen Walker href="http://www.nasa.gov/audience/formedia/features/MP_Photo_Guidelines.html" rel="nofollow">NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21-Ge29

NASA Astrophysics Data System (ADS)

Yoo, S.; Zeng, X. C.

2006-05-01

We performed a constrained search for the geometries of low-lying neutral germanium clusters GeN in the size range of 21⩽N⩽29. The basin-hopping global optimization method is employed for the search. The potential-energy surface is computed based on the plane-wave pseudopotential density functional theory. A new series of low-lying clusters is found on the basis of several generic structural motifs identified previously for silicon clusters [S. Yoo and X. C. Zeng, J. Chem. Phys. 124, 054304 (2006)] as well as for smaller-sized germanium clusters [S. Bulusu et al., J. Chem. Phys. 122, 164305 (2005)]. Among the generic motifs examined, we found that two motifs stand out in producing most low-lying clusters, namely, the six/nine motif, a puckered-hexagonal-ring Ge6 unit attached to a tricapped trigonal prism Ge9, and the six/ten motif, a puckered-hexagonal-ring Ge6 unit attached to a bicapped antiprism Ge10. The low-lying clusters obtained are all prolate in shape and their energies are appreciably lower than the near-spherical low-energy clusters. This result is consistent with the ion-mobility measurement in that medium-sized germanium clusters detected are all prolate in shape until the size N ˜65.

Small-Scale, Local Area, and Transitional Millimeter Wave Propagation for 5G Communications

NASA Astrophysics Data System (ADS)

Rappaport, Theodore S.; MacCartney, George R.; Sun, Shu; Yan, Hangsong; Deng, Sijia

2017-12-01

This paper studies radio propagation mechanisms that impact handoffs, air interface design, beam steering, and MIMO for 5G mobile communication systems. Knife edge diffraction (KED) and a creeping wave linear model are shown to predict diffraction loss around typical building objects from 10 to 26 GHz, and human blockage measurements at 73 GHz are shown to fit a double knife-edge diffraction (DKED) model which incorporates antenna gains. Small-scale spatial fading of millimeter wave received signal voltage amplitude is generally Ricean-distributed for both omnidirectional and directional receive antenna patterns under both line-of-sight (LOS) and non-line-of-sight (NLOS) conditions in most cases, although the log-normal distribution fits measured data better for the omnidirectional receive antenna pattern in the NLOS environment. Small-scale spatial autocorrelations of received voltage amplitudes are shown to fit sinusoidal exponential and exponential functions for LOS and NLOS environments, respectively, with small decorrelation distances of 0.27 cm to 13.6 cm (smaller than the size of a handset) that are favorable for spatial multiplexing. Local area measurements using cluster and route scenarios show how the received signal changes as the mobile moves and transitions from LOS to NLOS locations, with reasonably stationary signal levels within clusters. Wideband mmWave power levels are shown to fade from 0.4 dB/ms to 40 dB/s, depending on travel speed and surroundings.

The quantum structure of anionic hydrogen clusters

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2018-03-01

A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

Effects of Alfvénic Drift on Diffusive Shock Acceleration at Weak Cluster Shocks

NASA Astrophysics Data System (ADS)

Kang, Hyesung; Ryu, Dongsu

2018-03-01

Non-detection of γ-ray emission from galaxy clusters has challenged diffusive shock acceleration (DSA) of cosmic-ray (CR) protons at weak collisionless shocks that are expected to form in the intracluster medium. As an effort to address this problem, we here explore possible roles of Alfvén waves self-excited via resonant streaming instability during the CR acceleration at parallel shocks. The mean drift of Alfvén waves may either increase or decrease the scattering center compression ratio, depending on the postshock cross-helicity, leading to either flatter or steeper CR spectra. We first examine such effects at planar shocks, based on the transport of Alfvén waves in the small amplitude limit. For the shock parameters relevant to cluster shocks, Alfvénic drift flattens the CR spectrum slightly, resulting in a small increase of the CR acceleration efficiency, η. We then consider two additional, physically motivated cases: (1) postshock waves are isotropized via MHD and plasma processes across the shock transition, and (2) postshock waves contain only forward waves propagating along with the flow due to a possible gradient of CR pressure behind the shock. In these cases, Alfvénic drift could reduce η by as much as a factor of five for weak cluster shocks. For the canonical parameters adopted here, we suggest η ∼ 10‑4–10‑2 for shocks with sonic Mach number M s ≈ 2–3. The possible reduction of η may help ease the tension between non-detection of γ-rays from galaxy clusters and DSA predictions.

Density-induced suppression of the {alpha}-particle condensate in nuclear matter and the structure of {alpha}-cluster states in nuclei

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

Funaki, Y.; Horiuchi, H.; International Institute for Advanced Studies, Kizugawa 619-0225

2008-06-15

At low densities, with decreasing temperatures, in symmetric nuclear matter {alpha} particles are formed, which eventually give raise to a quantum condensate with four-nucleon {alpha}-like correlations (quartetting). Starting with a model of {alpha} matter, where undistorted {alpha} particles interact via an effective interaction such as the Ali-Bodmer potential, the suppression of the condensate fraction at zero temperature with increasing density is considered. Using a Jastrow-Feenberg approach, it is found that the condensate fraction vanishes near saturation density. Additionally, the modification of the internal state of the {alpha} particle due to medium effects will further reduce the condensate. In finite systems,more » an enhancement of the S-state wave function of the center-of-mass orbital of {alpha}-particle motion is considered as the correspondence to the condensate. Wave functions have been constructed for self-conjugate 4n nuclei that describe the condensate state but are fully antisymmetrized on the nucleonic level. These condensate-like cluster wave functions have been successfully applied to describe properties of low-density states near the n{alpha} threshold. Comparison with orthogonality condition model calculations in {sup 12}C and {sup 16}O shows strong enhancement of the occupation of the S-state center-of-mass orbital of the {alpha} particles. This enhancement is decreasing if the baryon density increases, similar to the density-induced suppression of the condensate fraction in {alpha} matter. The ground states of {sup 12}C and {sup 16}O show no enhancement at all, thus a quartetting condensate cannot be formed at saturation densities.« less

Dynamical structure factor of the J1-J2 Heisenberg model in one dimension: The variational Monte Carlo approach

NASA Astrophysics Data System (ADS)

Ferrari, Francesco; Parola, Alberto; Sorella, Sandro; Becca, Federico

2018-06-01

The dynamical spin structure factor is computed within a variational framework to study the one-dimensional J1-J2 Heisenberg model. Starting from Gutzwiller-projected fermionic wave functions, the low-energy spectrum is constructed from two-spinon excitations. The direct comparison with Lanczos calculations on small clusters demonstrates the excellent description of both gapless and gapped (dimerized) phases, including incommensurate structures for J2/J1>0.5 . Calculations on large clusters show how the intensity evolves when increasing the frustrating ratio and give an unprecedented accurate characterization of the dynamical properties of (nonintegrable) frustrated spin models.

An optimized full-configuration-interaction nuclear orbital approach to a ``hard-core'' interaction problem: Application to (3He)N-Cl2(B) clusters (N<=4)

NASA Astrophysics Data System (ADS)

de Lara-Castells, M. P.; Villarreal, P.; Delgado-Barrio, G.; Mitrushchenkov, A. O.

2009-11-01

An efficient full-configuration-interaction nuclear orbital treatment has been recently developed as a benchmark quantum-chemistry-like method to calculate ground and excited "solvent" energies and wave functions in small doped ΔEest clusters (N ≤4) [M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, and A. O. Mitrushchenkov, J. Chem. Phys. 125, 221101 (2006)]. Additional methodological and computational details of the implementation, which uses an iterative Jacobi-Davidson diagonalization algorithm to properly address the inherent "hard-core" He-He interaction problem, are described here. The convergence of total energies, average pair He-He interaction energies, and relevant one- and two-body properties upon increasing the angular part of the one-particle basis set (expanded in spherical harmonics) has been analyzed, considering Cl2 as the dopant and a semiempirical model (T-shaped) He-Cl2(B) potential. Converged results are used to analyze global energetic and structural aspects as well as the configuration makeup of the wave functions, associated with the ground and low-lying "solvent" excited states. Our study reveals that besides the fermionic nature of H3e atoms, key roles in determining total binding energies and wave-function structures are played by the strong repulsive core of the He-He potential as well as its very weak attractive region, the most stable arrangement somehow departing from the one of N He atoms equally spaced on equatorial "ring" around the dopant. The present results for N =4 fermions indicates the structural "pairing" of two H3e atoms at opposite sides on a broad "belt" around the dopant, executing a sort of asymmetric umbrella motion. This pairing is a compromise between maximizing the H3e-H3e and the He-dopant attractions, and suppressing at the same time the "hard-core" repulsion. Although the He-He attractive interaction is rather weak, its contribution to the total energy is found to scale as a power of three and it thus increasingly affects the pair density distributions as the cluster grows in size.

Cluster formation in Hessdalen lights

NASA Astrophysics Data System (ADS)

Paiva, G. S.; Taft, C. A.

2012-05-01

In this paper we show a mechanism of light ball cluster formation in Hessdalen lights (HL) by the nonlinear interaction of ion-acoustic and dusty-acoustic waves with low frequency geoelectromagnetic waves in dusty plasmas. Our theoretical model shows that the velocity of ejected light balls by HL cluster is of about 104 m s-1 in a good agreement with the observed velocity of some ejected light balls, which is estimated as 2×104 m s-1.

The WAVE2 complex regulates T cell receptor signaling to integrins via Abl- and CrkL-C3G-mediated activation of Rap1.

PubMed

Nolz, Jeffrey C; Nacusi, Lucas P; Segovis, Colin M; Medeiros, Ricardo B; Mitchell, Jason S; Shimizu, Yoji; Billadeau, Daniel D

2008-09-22

WAVE2 regulates T cell receptor (TCR)-stimulated actin cytoskeletal dynamics leading to both integrin clustering and affinity maturation. Although WAVE2 mediates integrin affinity maturation by recruiting vinculin and talin to the immunological synapse in an Arp2/3-dependent manner, the mechanism by which it regulates integrin clustering is unclear. We show that the Abl tyrosine kinase associates with the WAVE2 complex and TCR ligation induces WAVE2-dependent membrane recruitment of Abl. Furthermore, we show that WAVE2 regulates TCR-mediated activation of the integrin regulatory guanosine triphosphatase Rap1 via the recruitment and activation of the CrkL-C3G exchange complex. Moreover, we demonstrate that although Abl does not regulate the recruitment of CrkL-C3G into the membrane, it does affect the tyrosine phosphorylation of C3G, which is required for its guanine nucleotide exchange factor activity toward Rap1. This signaling node regulates not only TCR-stimulated integrin clustering but also affinity maturation. These findings identify a previously unknown mechanism by which the WAVE2 complex regulates TCR signaling to Rap1 and integrin activation.

The WAVE2 complex regulates T cell receptor signaling to integrins via Abl- and CrkL–C3G-mediated activation of Rap1

PubMed Central

Nolz, Jeffrey C.; Nacusi, Lucas P.; Segovis, Colin M.; Medeiros, Ricardo B.; Mitchell, Jason S.; Shimizu, Yoji; Billadeau, Daniel D.

2008-01-01

WAVE2 regulates T cell receptor (TCR)–stimulated actin cytoskeletal dynamics leading to both integrin clustering and affinity maturation. Although WAVE2 mediates integrin affinity maturation by recruiting vinculin and talin to the immunological synapse in an Arp2/3-dependent manner, the mechanism by which it regulates integrin clustering is unclear. We show that the Abl tyrosine kinase associates with the WAVE2 complex and TCR ligation induces WAVE2-dependent membrane recruitment of Abl. Furthermore, we show that WAVE2 regulates TCR-mediated activation of the integrin regulatory guanosine triphosphatase Rap1 via the recruitment and activation of the CrkL–C3G exchange complex. Moreover, we demonstrate that although Abl does not regulate the recruitment of CrkL–C3G into the membrane, it does affect the tyrosine phosphorylation of C3G, which is required for its guanine nucleotide exchange factor activity toward Rap1. This signaling node regulates not only TCR-stimulated integrin clustering but also affinity maturation. These findings identify a previously unknown mechanism by which the WAVE2 complex regulates TCR signaling to Rap1 and integrin activation. PMID:18809728

Cavitation Bubble Cluster Activity in the Breakage of Kidney Stones by Lithotripter Shock Waves

PubMed Central

Pishchalnikov, Yuriy A.; Sapozhnikov, Oleg A.; Bailey, Michael R.; Williams, James C.; Cleveland, Robin O.; Colonius, Tim; Crum, Lawrence A.; Evan, Andrew P.; McAteer, James A.

2008-01-01

High-speed photography was used to analyze cavitation bubble activity at the surface of artificial and natural kidney stones during exposure to lithotripter shock waves in vitro. Numerous individual bubbles formed at the surface of stones, but these bubbles did not remain independent and combined with one another to form bubble clusters. Bubble clusters formed at the proximal end, the distal end, and at the sides of stones. Each cluster collapsed to a narrow point of impact. Collapse of the proximal cluster caused erosion at the leading face of the stone and the collapse of clusters at the sides of stones appeared to contribute to the growth of cracks. Collapse of the distal cluster caused minimal damage. We conclude that cavitation-mediated damage to stones was due not to the action of solitary bubbles, but to the growth and collapse of bubble clusters. PMID:14565872

Cluster II Wideband (WBD) Plasma Wave Investigation Mission Operations and Data Analysis

NASA Technical Reports Server (NTRS)

Gurnett, Donald A.

2004-01-01

This Summary of Research is being submitted to NASA Goddard Space Flight Center. A summary of the significant accomplishments of the Cluster Wideband (WBD) Plasma Wave Investigation team achieved during the period of the grant, October 1,2000 through January 14, 2004, and a listing of all of the publications that resulted from work carried out under the grant is presented. Also included is a listing of the numerous public outreach activities that took place during the period of the grant in which the Cluster mission and Cluster WBD science were discussed.

Ab initio multireference study of the BN molecule

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.; Scuseria, Gustavo E.; Taylor, Peter R.

1992-01-01

The lowest 1Sigma(+) and 3Pi states of the BN molecule are studied using multireference configuration interaction (MRCI) and averaged coupled-pair functional (ACPF) methods and large atomic natural orbital (ANO) basis sets, as well as several coupled cluster methods. Our calculations strongly support a 3Pi ground state, but the a1Sigma(+) state lies only 381 +/- 100/cm higher. The a1Sigma(+) state wave function exhibits strong multireference character and, consequently, the predictions of the perturbationally-based single-reference CCSD(T) coupled cluster method are not as reliable in this case as the multireference results. The theoretical predictions for the spectroscopic constants of BN are in good agreement with experiment for the Chi3Pi state, but strongly suggest a misassignment of the fundamental vibrational frequency for the a1Sigma(+) state.

Clustering of cycloidal wave energy converters

DOEpatents

Siegel, Stefan G.

2016-03-29

A wave energy conversion system uses a pair of wave energy converters (WECs) on respective active mountings on a floating platform, so that the separation of the WECs from each other or from a central WEC can be actively adjusted according to the wavelength of incident waves. The adjustable separation facilitates operation of the system to cancel reactive forces, which may be generated during wave energy conversion. Modules on which such pairs of WECs are mounted can be assembled with one or more central WECs to form large clusters in which reactive forces and torques can be made to cancel. WECs of different sizes can be employed to facilitate cancelation of reactive forces and torques.

Lagrangian clustering detection of internal wave boluses

NASA Astrophysics Data System (ADS)

Allshouse, M.; Salvador Vieira, G.; Swinney, H. L.

2016-02-01

The shoaling of internal waves on a continental slope or shelf produces boluses that travel up the slope with the wave. The boluses are regions of trapped fluid that are transported along with the wave, unlike fluid in the bulk that is temporarily pertubed by a passing wave. Boluses have been observed to transport oxygen-depleted water and induce rapid changes in temperature (Walter et al, JGR, 2012), both of which have potential ramifications for marine biology. Several previous studies have investigated boluses in systems with two layers of different density (e.g., Helfrich, JFM, 1992, and Sutherland et al., JGR, 2013). We conduct laboratory and computational studies of bolus generation and material transport in continuously stratified fluids with a pycnocline, as in the oceans. Our laboratory experiments in a 4 m long tank are complemented by 2-dimensional direct numerical simulations of the Navier-Stokes equations. Efforts have been made to identify boluses with Eularian measures in the past, but a Lagrangian perspective is necessary to objectively identify the bolus over its lifespan. Here we use a Lagrangian based coherent structure method relying on trajectory clustering using the fuzzy c-means approach (Froyland and Padberg-Gehle, Chaos, 2015). The objective detection of a bolus enables examination of the volume, distance traveled, and increased available potential energy of a bolus, as a function of the stratification, wave properties, and the angle of the sloping topography. The decay of a bolus through turbulent mixing is investigated by locating where the Richardson number drops below ¼, where velocity shear overcomes the tendency of a stratified fluid to remain stratified. (supported by ONR MURI grant N000141110701)

Electromagnetic Ion Cyclotron Waves in the Helium Branch Induced by Multiple Electromagnetic Ion Cyclotron Triggered Emissions

NASA Astrophysics Data System (ADS)

Shoji, M.; Omura, Y.; Grison, B.; Pickett, J. S.; Dandouras, I. S.; Engebretson, M. J.

2011-12-01

Electromagnetic ion cyclotron (EMIC) triggered emissions with rising tones between the H+ and He+ cyclotron frequencies were found in the inner magnetosphere by the recent Cluster observations. Another type of EMIC wave with a constant frequency is occasionally observed below the He+ cyclotron frequency after the multiple EMIC triggered emissions. We performed a self-consistent hybrid simulation with a one-dimensional cylindrical magnetic flux model approximating the dipole magnetic field of the Earth's inner magnetosphere. In the presence of energetic protons with a sufficient density and temperature anisotropy, multiple EMIC triggered emissions are reproduced due to the nonlinear wave growth mechanism of rising-tone chorus emissions, and a constant frequency wave in the He+ EMIC branch is subsequently generated. Through interaction with the multiple EMIC rising-tone emissions, the velocity distribution function of the energetic protons is strongly modified. Because of the pitch angle scattering of the protons, the gradient of the distribution in velocity phase space is enhanced along the diffusion curve of the He+ branch wave, resulting in the linear growth of the EMIC wave in the He+ branch.

Electromagnetic ion cyclotron waves in the helium branch induced by multiple electromagnetic ion cyclotron triggered emissions

NASA Astrophysics Data System (ADS)

Shoji, Masafumi; Omura, Yoshiharu; Grison, Benjamin; Pickett, Jolene; Dandouras, Iannis; Engebretson, Mark

2011-09-01

Electromagnetic ion cyclotron (EMIC) triggered emissions with rising tones between the H+ and He+ cyclotron frequencies were found in the inner magnetosphere by the recent Cluster observations. Another type of EMIC wave with a constant frequency is occasionally observed below the He+ cyclotron frequency after the multiple EMIC triggered emissions. We performed a self-consistent hybrid simulation with a one-dimensional cylindrical magnetic flux model approximating the dipole magnetic field of the Earth's inner magnetosphere. In the presence of energetic protons with a sufficient density and temperature anisotropy, multiple EMIC triggered emissions are reproduced due to the nonlinear wave growth mechanism of rising-tone chorus emissions, and a constant frequency wave in the He+ EMIC branch is subsequently generated. Through interaction with the multiple EMIC rising-tone emissions, the velocity distribution function of the energetic protons is strongly modified. Because of the pitch angle scattering of the protons, the gradient of the distribution in velocity phase space is enhanced along the diffusion curve of the He+ branch wave, resulting in the linear growth of the EMIC wave in the He+ branch.

Clustering of Synoptic Pattern over the Korean Peninsula from Meteorological Models

NASA Astrophysics Data System (ADS)

Kim, Jinah; Heo, Kiyoung; Choi, Jungwoon; Jung, Sanghoon

2017-04-01

Numerical modeling data on meteorological and ocean science is one of example of big geographic data sources. The properties of the data including the volume, variety, and dynamic aspects pose new challenges for geographic visualization, and visual geoanalytics using big data analysis using machine learning method. A combination of algorithmic and visual approaches that make sense of large volumes of various types of spatiotemporal data are required to gain knowledge about complex phenomena. In the East coast of Korea, it is suffering from property damages and human causalities due to abnormal high waves (swell-like high-height waves). It is known to be caused by local meteorological conditions on the East Sea of Korean Peninsula in previous research and they proposed three kinds of pressure patterns that generate abnormal high waves. However, they cannot describe all kinds of pressure patterns that generate abnormal high waves. In our study, we propose unsupervised machine learning method for pattern clustering and applied it to classify a pattern which has occurred abnormal high waves using numerical meteorological model's reanalysis data from 2000 to 2015 and past historical records of accidents by abnormal high waves. About 25,000 patterns of total spatial distribution of sea surface pressure are clustered into 30 patterns and they are classified into seasonal sea level pressure patterns based on meteorological characteristics of Korean peninsula. Moreover, in order to determine the representative patterns which occurs abnormal high waves, we classified it again using historical accidents cases among the winter season pressure patterns. In this work, we clustered synoptic pattern over the Korean Peninsula in meteorological modeling reanalysis data and we could understand a seasonal variation through identifying the occurrence of clustered synoptic pattern. For the future work, we have to identify the relationship of wave modeling data for better understanding of abnormal high waves and we will develop pattern decision system to predict abnormal high waves in advances. This research was a part of the project titled "Development of Korea Operational Oceanographic System (KOOS), Phase 2" and "Investigation of Large Swell Waves and Rip currents and Development of The Disaster Response System," funded by the Ministry of Oceans & Fisheries Korea (Grant PM59691 and PM59240).

Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

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

Hartman, Joshua D.; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu; Monaco, Stephen

2015-09-14

We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readilymore » in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.« less

Entropy generation across Earth's collisionless bow shock.

PubMed

Parks, G K; Lee, E; McCarthy, M; Goldstein, M; Fu, S Y; Cao, J B; Canu, P; Lin, N; Wilber, M; Dandouras, I; Réme, H; Fazakerley, A

2012-02-10

Earth's bow shock is a collisionless shock wave but entropy has never been directly measured across it. The plasma experiments on Cluster and Double Star measure 3D plasma distributions upstream and downstream of the bow shock allowing calculation of Boltzmann's entropy function H and his famous H theorem, dH/dt≤0. The collisionless Boltzmann (Vlasov) equation predicts that the total entropy does not change if the distribution function across the shock becomes nonthermal, but it allows changes in the entropy density. Here, we present the first direct measurements of entropy density changes across Earth's bow shock and show that the results generally support the model of the Vlasov analysis. These observations are a starting point for a more sophisticated analysis that includes 3D computer modeling of collisionless shocks with input from observed particles, waves, and turbulences.

DFT STUDY OF CO AND NO ADSORPTION ON BORON NITRIDE (BN)n = 3 - 5 NANOCLUSTERS

NASA Astrophysics Data System (ADS)

Zahedi, Ehsan; Pangh, Abdolhakim; Ghorbanpour, Hamed

2015-11-01

Interaction of CO and NO molecules by different orientations on (BN)n=3-5 clusters have been studied at the B3LYP/6-311+G* level of theory. Total electronic energies have been corrected for geometrical counterpoise (gCP) and dispersion (D3) energies at the B3LYP/6-31G* level. Formation of a new sigma bond between the gas and (BN)3 cluster, atom in molecules (AIM) results, density of states spectrums (DOS), molecular electrostatic potential (MEP) surfaces, and visualization of wave function of molecular orbitals in the nearest bonding regions to the Fermi level have confirmed that adsorption of CO by carbon end atom, and NO by nitrogen end atom is covalent in nature, so that the charge transfer is occurred from gas molecule to the cluster.

Attenuation and source properties at the Coso Geothermal area, California

USGS Publications Warehouse

Hough, S.E.; Lees, J.M.; Monastero, F.

1999-01-01

We use a multiple-empirical Green's function method to determine source properties of small (M -0.4 to 1.3) earthquakes and P- and S-wave attenuation at the Coso Geothermal Field, California. Source properties of a previously identified set of clustered events from the Coso geothermal region are first analyzed using an empirical Green's function (EGF) method. Stress-drop values of at least 0.5-1 MPa are inferred for all of the events; in many cases, the corner frequency is outside the usable bandwidth, and the stress drop can only be constrained as being higher than 3 MPa. P- and S-wave stress-drop estimates are identical to the resolution limits of the data. These results are indistinguishable from numerous EGF studies of M 2-5 earthquakes, suggesting a similarity in rupture processes that extends to events that are both tiny and induced, providing further support for Byerlee's Law. Whole-path Q estimates for P and S waves are determined using the multiple-empirical Green's function (MEGF) method of Hough (1997), whereby spectra from clusters of colocated events at a given station are inverted for a single attenuation parameter, ??, with source parameters constrained from EGF analysis. The ?? estimates, which we infer to be resolved to within 0.01 sec or better, exhibit almost as much scatter as a function of hypocentral distance as do values from previous single-spectrum studies for which much higher uncertainties in individual ?? estimates are expected. The variability in ?? estimates determined here therefore suggests real lateral variability in Q structure. Although the ray-path coverage is too sparse to yield a complete three-dimensional attenuation tomographic image, we invert the inferred ?? value for three-dimensional structure using a damped least-squares method, and the results do reveal significant lateral variability in Q structure. The inferred attenuation variability corresponds to the heat-flow variations within the geothermal region. A central low-Q region corresponds well with the central high-heat flow region; additional detailed structure is also suggested.

Cosmic clustering

DOE PAGES

Anninos, Dionysios; Denef, Frederik

2016-06-30

We show that the late time Hartle-Hawking wave function for a free massless scalar in a fixed de Sitter background encodes a sharp ultrametric structure for the standard Euclidean distance on the space of field configurations. This implies a hierarchical, tree-like organization of the state space, reflecting its genesis as a branched diffusion process. In conclusion, an equivalent mathematical structure organizes the state space of the Sherrington-Kirkpatrick model of a spin glass.

Effect of channel coupling on the elastic scattering of lithium isotopes

NASA Astrophysics Data System (ADS)

Furumoto, T.; Suhara, T.; Itagaki, N.

2018-04-01

Herein, we investigated the channel coupling (CC) effect on the elastic scatterings of lithium (Li) isotopes (A =6 -9) for 12C and 28Si targets at E /A =50 -60 MeV. The wave functions of the Li isotopes were obtained using the stochastic multi-configuration mixing method based on the microscopic-cluster model. The proton radii of the 7Li, 8Li, and 9Li nuclei became smaller as the number of valence neutrons increased. The valence neutrons in the 8Li and 9Li nuclei exhibited a glue-like behavior, thereby attracting the α and t clusters. Based on the transition densities derived from these microscopic wave functions, the elastic-scattering cross section was calculated using a microscopic coupled-channel method with a complex G -matrix interaction. The existing experimental data for the elastic scatterings of the Li isotopes and 10Be nuclei were well reproduced. The Li isotope elastic cross sections were demonstrated for the 12C and 28Si targets at E /A =53 MeV. The glue-like effect of the valence neutrons on the Li isotope was clearly demonstrated by the CC effect on elastic scattering. Finally, we realize that the valence neutrons stabilized the bindings of the core parts and the CC effect related to core excitation was indeed reduced.

Rac-WAVE-mediated actin reorganization is required for organization and maintenance of cell-cell adhesion.

PubMed

Yamazaki, Daisuke; Oikawa, Tsukasa; Takenawa, Tadaomi

2007-01-01

During cadherin-dependent cell-cell adhesion, the actin cytoskeleton undergoes dynamic reorganization in epithelial cells. Rho-family small GTPases, which regulate actin dynamics, play pivotal roles in cadherin-dependent cell-cell adhesion; however, the precise molecular mechanisms that underlie cell-cell adhesion formation remain unclear. Here we show that Wiskott-Aldrich syndrome protein family verprolin-homologous protein (WAVE)-mediated reorganization of actin, downstream of Rac plays an important role in normal development of cadherin-dependent cell-cell adhesions in MDCK cells. Rac-induced development of cadherin-dependent adhesions required WAVE2-dependent actin reorganization. The process of cell-cell adhesion is divided into three steps: formation of new cell-cell contacts, stabilization of these new contacts and junction maturation. WAVE1 and WAVE2 were expressed in MDCK cells. The functions of WAVE1 and WAVE2 were redundant in this system but WAVE2 appeared to play a more significant role. During the first step, WAVE2-dependent lamellipodial protrusions facilitated formation of cell-cell contacts. During the second step, WAVE2 recruited actin filaments to new cell-cell contacts and stabilized newly formed cadherin clusters. During the third step, WAVE2-dependent actin reorganization was required for organization and maintenance of mature cell-cell adhesions. Thus, Rac-WAVE-dependent actin reorganization is not only involved in formation of cell-cell adhesions but is also required for their maintenance.

Reversing cooling flows with AGN jets: shock waves, rarefaction waves and trailing outflows

NASA Astrophysics Data System (ADS)

Guo, Fulai; Duan, Xiaodong; Yuan, Ye-Fei

2018-01-01

The cooling flow problem is one of the central problems in galaxy clusters, and active galactic nucleus (AGN) feedback is considered to play a key role in offsetting cooling. However, how AGN jets heat and suppress cooling flows remains highly debated. Using an idealized simulation of a cool-core cluster, we study the development of central cooling catastrophe and how a subsequent powerful AGN jet event averts cooling flows, with a focus on complex gasdynamical processes involved. We find that the jet drives a bow shock, which reverses cooling inflows and overheats inner cool-core regions. The shocked gas moves outward in a rarefaction wave, which rarefies the dense core and adiabatically transports a significant fraction of heated energy to outer regions. As the rarefaction wave propagates away, inflows resume in the cluster core, but a trailing outflow is uplifted by the AGN bubble, preventing gas accumulation and catastrophic cooling in central regions. Inflows and trailing outflows constitute meridional circulations in the cluster core. At later times, trailing outflows fall back to the cluster centre, triggering central cooling catastrophe and potentially a new generation of AGN feedback. We thus envisage a picture of cool cluster cores going through cycles of cooling-induced contraction and AGN-induced expansion. This picture naturally predicts an anti-correlation between the gas fraction (or X-ray luminosity) of cool cores and the central gas entropy, which may be tested by X-ray observations.

Acceleration of O+ from the cusp to the plasma sheet

NASA Astrophysics Data System (ADS)

Liao, J.; Kistler, L. M.; Mouikis, C. G.; Klecker, B.; Dandouras, I.

2015-02-01

Heavy ions from the ionosphere that are accelerated in the cusp/cleft have been identified as a direct source for the hot plasma in the plasma sheet. However, the details of the acceleration and transport that transforms the originally cold ions into the hot plasma sheet population are not fully understood. The polar orbit of the Cluster satellites covers the main transport path of the O+ from the cusp to the plasma sheet, so Cluster is ideal for tracking its velocity changes. However, because the cusp outflow is dispersed according to its velocity as it is transported to the tail, due to the velocity filter effect, the observed changes in beam velocity over the Cluster orbit may simply be the result of the spacecraft accessing different spatial regions and not necessarily evidence of acceleration. Using the Cluster Ion Spectrometry/Composition Distribution Function instrument onboard Cluster, we compare the distribution function of streaming O+ in the tail lobes with the initial distribution function observed over the cusp and reveal that the observations of energetic streaming O+ in the lobes around -20 RE are predominantly due to the velocity filter effect during nonstorm times. During storm times, the cusp distribution is further accelerated. In the plasma sheet boundary layer, however, the average O+ distribution function is above the upper range of the outflow distributions at the same velocity during both storm and nonstorm times, indicating that acceleration has taken place. Some of the velocity increase is in the direction perpendicular to the magnetic field, indicating that the E × B velocity is enhanced. However, there is also an increase in the parallel direction, which could be due to nonadiabatic acceleration at the boundary or wave heating.

{phi} meson production in pp annihilation at rest

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

Srisuphaphon, S.; Yan, Y.; Thailand Center of Excellence in Physics, Ministry of Education, Bangkok

2011-10-01

Apparent channel-dependent violations of the Okubo-Zwieg-Iizuka (OZI) rule in nucleon-antinucleon annihilation reactions in the presence of an intrinsic strangeness component in the nucleon are discussed. Admixture of ss quark pairs in the nucleon wave function enables the direct coupling to the {phi}-meson in the annihilation channel without violating the OZI rule. Three forms are considered in this work for the strangeness content of the proton wave function, namely, the uud cluster with a ss sea-quark component, kaon-hyperon clusters based on a simple chiral quark model, and the pentaquark picture uudss. Nonrelativistic quark model calculations reveal that the strangeness magnetic momentmore » {mu}{sub s} and the strangeness contribution to the proton spin {sigma}{sub s} from the first two models are consistent with recent experimental data, where {mu}{sub s} and {sigma}{sub s} are negative. For the third model, the uuds subsystem with the configurations [31]{sub FS}[211]{sub F}[22]{sub S} and [31]{sub FS}[31]{sub F}[22]{sub S} leads to negative values of {mu}{sub s} and {sigma}{sub s}. With effective quark line diagrams incorporating the {sup 3}P{sub 0} model, we give estimates for the branching ratios of the annihilation reactions at rest pp{yields}{phi}X (X={pi}{sup 0}, {eta}, {rho}{sup 0}, {omega}). Results for the branching ratios of {phi}X production from atomic pp s-wave states are for the first and third model found to be strongly channel dependent, in good agreement with measured rates.« less

Cluster Observations of Non-Time Continuous Magnetosonic Waves

NASA Technical Reports Server (NTRS)

Walker, Simon N.; Demekhov, Andrei G.; Boardsen, Scott A.; Ganushkina, Natalia Y.; Sibeck, David G.; Balikhin, Michael A.

2016-01-01

Equatorial magnetosonic waves are normally observed as temporally continuous sets of emissions lasting from minutes to hours. Recent observations, however, have shown that this is not always the case. Using Cluster data, this study identifies two distinct forms of these non temporally continuous use missions. The first, referred to as rising tone emissions, are characterized by the systematic onset of wave activity at increasing proton gyroharmonic frequencies. Sets of harmonic emissions (emission elements)are observed to occur periodically in the region +/- 10 off the geomagnetic equator. The sweep rate of these emissions maximizes at the geomagnetic equator. In addition, the ellipticity and propagation direction also change systematically as Cluster crosses the geomagnetic equator. It is shown that the observed frequency sweep rate is unlikely to result from the sideband instability related to nonlinear trapping of suprathermal protons in the wave field. The second form of emissions is characterized by the simultaneous onset of activity across a range of harmonic frequencies. These waves are observed at irregular intervals. Their occurrence correlates with changes in the spacecraft potential, a measurement that is used as a proxy for electron density. Thus, these waves appear to be trapped within regions of localized enhancement of the electron density.

Analyze the beta waves of electroencephalogram signals from young musicians and non-musicians in major scale working memory task.

PubMed

Hsu, Chien-Chang; Cheng, Ching-Wen; Chiu, Yi-Shiuan

2017-02-15

Electroencephalograms can record wave variations in any brain activity. Beta waves are produced when an external stimulus induces logical thinking, computation, and reasoning during consciousness. This work uses the beta wave of major scale working memory N-back tasks to analyze the differences between young musicians and non-musicians. After the feature analysis uses signal filtering, Hilbert-Huang transformation, and feature extraction methods to identify differences, k-means clustering algorithm are used to group them into different clusters. The results of feature analysis showed that beta waves significantly differ between young musicians and non-musicians from the low memory load of working memory task. Copyright © 2017 Elsevier B.V. All rights reserved.

Three-cluster dynamics within an ab initio framework

DOE PAGES

Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

2013-09-26

In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core ( 4He) polarization effects.« less

Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

NASA Astrophysics Data System (ADS)

Bryce, Richard A.; Vincent, Mark A.; Malcolm, Nathaniel O. J.; Hillier, Ian H.; Burton, Neil A.

1998-08-01

A new hybrid quantum mechanical/molecular mechanical model of solvation is developed and used to describe the structure and dynamics of small fluoride/water clusters, using an ab initio wave function to model the ion and a fluctuating charge potential to model the waters. Appropriate parameters for the water-water and fluoride-water interactions are derived, with the fluoride anion being described by density functional theory and a large Gaussian basis. The role of solvent polarization in determining the structure and energetics of F(H2O)4- clusters is investigated, predicting a slightly greater stability of the interior compared to the surface structure, in agreement with ab initio studies. An extended Lagrangian treatment of the polarizable water, in which the water atomic charges fluctuate dynamically, is used to study the dynamics of F(H2O)4- cluster. A simulation using a fixed solvent charge distribution indicates principally interior, solvated states for the cluster. However, a preponderance of trisolvated configurations is observed using the polarizable model at 300 K, which involves only three direct fluoride-water hydrogen bonds. Ab initio calculations confirm this trisolvated species as a thermally accessible state at room temperature, in addition to the tetrasolvated interior and surface structures. Extension of this polarizable water model to fluoride clusters with five and six waters gave less satisfactory agreement with experimental energies and with ab initio geometries. However, our results do suggest that a quantitative model of solvent polarization is fundamental for an accurate understanding of the properties of anionic water clusters.

Spectroscopy of the Perseus Cluster

NASA Technical Reports Server (NTRS)

Jones, Christine; Mushotzky, Richard F. (Technical Monitor)

2004-01-01

We present preliminary results of a XMM-Newton 50 ks observation of the Perseus Cluster that provides an unprecedented view of the central 0.5 Mpc region. The projected gas temperature declines smoothly by a factor of 2 from a maximum value of approx. 7 keV in the outer regions to just above 3 keV at the cluster center. Over this same range, the heavy-element abundance rises slowly from 0.4 to 0.5 solar as the radius decreases from 14 ft. to 5 ft., and then it rises to a peak of almost 0.7 solar at 1&farcm;25 before declining to 0.4 at the center. Th global east-west asymmetry of the gas temperature and surface brightness distributions, approximately aligned with the chain of bright galaxies, suggests an ongoing merger, although the modest degree of the observed asymmetry certainly excludes a major merger interpretation. The chain of galaxies probably traces the filament along which accretion started some time ago and is continuing at the present time. A cold and dense (low-entropy) cluster core like Perseus is probably well "protected" against the penetration of the gas of infalling groups and poor clusters, whereas in non-cooling core clusters such as Coma and A1367, infalling subclusters can penetrate deeply into the core region. In Perseus, gas associated with infalling groups may be stripped completely at the outskirts of the main cluster and only compression waves (shocks) may reach the central regions. We argue, and show supporting simulations, that the passage of such a wave(s) can qualitatively explain the overall horseshoe shaped appearance of the gas temperature map (the hot horseshoe surrounds the colder, low-entropy core) as well as other features of the Perseus Cluster core. These simulations also show that as compression waves traverse the cluster core, they can induce oscillatory motion of the cluster gas that can generate multiple sharp "edges" on opposite sides of the central galaxy. Gas motions induced by mergers may be a natural way to explain the high frequency of "edges" seen in clusters with cooling cores.

AB INITIO Molecular Dynamics Simulations on Local Structure and Electronic Properties in Liquid Sb from 913 K to 1193 K

NASA Astrophysics Data System (ADS)

Hao, Qing-Hai; Li, Y. D.; Kong, Xiang-Shan; Liu, C. S.

2013-02-01

Ab initio molecular dynamics simulations on liquid Sb have been carried out at five different temperatures from 913 K to 1193 K. We have investigated the temperature dependence of structure properties including structural factor S(Q), pair correlation function g(r), bond-angle distribution function g3(θ), cluster properties and bond order parameter Q4 and Q6. A shoulder was reproduced in the high wave number side of the first peak in the S(Q) implying that the residual structure units of crystalline Sb remain in liquid Sb. There is a noticeable bend at around 1023 K in the temperature dependence of the first-peak height of S(Q), the cluster properties and bond order parameter Q4, respectively, indicating that an abnormal structural change may occur at 973-1023 K.

Exploring Sources of Gravitational Waves From Star Cluster Dynamics

NASA Astrophysics Data System (ADS)

Fuhrman, Joshua; Geller, Aaron M.; Rodriguez, Carl L.; Rasio, Frederic A.

2017-01-01

The recent detection of ripples in space-time by the Laser Interferometer Gravitational-wave Observatory (LIGO) has ushered in the age of gravitational wave astronomy. Binary black hole systems formed in the center of modest star clusters offer a possible gravitational wave source detectable by the LIGO or Laser Interferometer Space Antennae (LISA) collaborations. We simulate clusters containing 1-40K objects using direct integration from a customized version of NBODY6++GPU. We identify Binary Black Hole (BBH) objects of interest by an inspiral time sufficiently less than the age of the universe such that their coalescence might be detectable. Such objects are tracked through time within our N-body simulations to characterize the role of dynamics in the evolution of the BBH system using member exchanges and large orbital eccentricity changes as indicators of dynamic’s influence. We produce 41 BBH system candidates for detection by LIGO, all of which are dynamically formed. We observe several trends in the production of these potential BBH LIGO sources: a low-N cutoff in initial cluster size between 1-5K objects, high eccentricity oscillations, and the frequent formation of stable triple systems with the BBH as the inner binary.

The WHISPER Relaxation Sounder and the CLUSTER Active Archive

NASA Astrophysics Data System (ADS)

Trotignon, J. G.; Décréau, P. M. E.; Rauch, J. L.; Vallières, X.; Rochel, A.; Kougblénou, S.; Lointier, G.; Facskó, G.; Canu, P.; Darrouzet, F.; Masson, A.

The Waves of HIgh frequency and Sounder for Probing of Electron density by Relaxation (WHISPER) instrument is part of the Wave Experiment Consortium (WEC) of the CLUSTER mission. With the help of the long double sphere antennae of the Electric Field and Wave (EFW) instrument and the Digital Wave Processor (DWP), it delivers active (sounding) and natural (transmitter off) electric field spectra, respectively from 4 to 82 kHz, and from 2 to 80 kHz. These frequency ranges have been chosen to include the electron plasma frequency, which is closely related to the total electron density, in most of the regions encountered by the CLUSTER spacecraft. Presented here is an overview of the WHISPER data products available in the CLUSTER Active Archive (CAA). The instrument and its performance are first recalled. The way the WHISPER products are obtained is then described, with particular attention being paid to the density determination. Both sounding and natural measurements are commonly used in this process, which depends on the ambient plasma regime. This is illustrated using drawings similar to the Bryant plots commonly used in the CLUSTER master science plan. These give a clear overview of typical density values and the parts of the orbits where they are obtained. More information on the applied software or on the quality/reliability of the density determination can also be highlighted.

Microwave Heating of Metal Power Clusters

NASA Astrophysics Data System (ADS)

Rybakov, K. I.; Semenov, V. E.; Volkovskaya, I. I.

2018-01-01

The results of simulating the rapid microwave heating of spherical clusters of metal particles to the melting point are reported. In the simulation, the cluster is subjected to a plane electromagnetic wave. The cluster size is comparable to the wavelength; the perturbations of the field inside the cluster are accounted for within an effective medium approximation. It is shown that the time of heating in vacuum to the melting point does not exceed 1 s when the electric field strength in the incident wave is about 2 kV/cm at a frequency of 24 GHz or 5 kV/cm at a frequency of 2.45 GHz. The obtained results demonstrate feasibility of using rapid microwave heating for the spheroidization of metal particles with an objective to produce high-quality powders for additive manufacturing technologies.

The STAFF-DWP wave instrument on the DSP equatorial spacecraft: description and first results

NASA Astrophysics Data System (ADS)

Cornilleau-Wehrlin, N.; Alleyne, H. St. C.; Yearby, K. H.; de La Porte de Vaux, B.; Meyer, A.; Santolík, O.; Parrot, M.; Belmont, G.; Rezeau, L.; Le Contel, O.; Roux, A.; Attié, D.; Robert, P.; Bouzid, V.; Herment, D.; Cao, J.

2005-11-01

The STAFF-DWP wave instrument on board the equatorial spacecraft (TC1) of the Double Star Project consists of a combination of 2 instruments which are a heritage of the Cluster mission: the Spatio-Temporal Analysis of Field Fluctuations (STAFF) experiment and the Digital Wave-Processing experiment (DWP). On DSP-TC1 STAFF consists of a three-axis search coil magnetometer, used to measure magnetic fluctuations at frequencies up to 4 kHz and a waveform unit, up to 10 Hz, plus snapshots up to 180 Hz. DWP provides several onboard analysis tools: a complex FFT to fully characterise electromagnetic waves in the frequency range 10 Hz-4 kHz, a particle correlator linked to the PEACE electron experiment, and compression of the STAFF waveform data. The complementary Cluster and TC1 orbits, together with the similarity of the instruments, permits new multi-point studies. The first results show the capabilities of the experiment, with examples in the different regions of the magnetosphere-solar wind system that have been encountered by DSP-TC1 at the beginning of its operational phase. An overview of the different kinds of electromagnetic waves observed on the dayside from perigee to apogee is given, including the different whistler mode waves (hiss, chorus, lion roars) and broad-band ULF emissions. The polarisation and propagation characteristics of intense waves in the vicinity of a bow shock crossing are analysed using the dedicated PRASSADCO tool, giving results compatible with previous studies: the broad-band ULF waves consist of a superimposition of different wave modes, whereas the magnetosheath lion roars are right-handed and propagate close to the magnetic field. An example of a combined Cluster DSP-TC1 magnetopause crossing is given. This first case study shows that the ULF wave power intensity is higher at low latitude (DSP) than at high latitude (Cluster). On the nightside in the tail, a first wave event comparison - in a rather quiet time interval - is shown. It opens the doors to future studies, such as event timing during substorms, to possibly determine their onset location.

Effect of upstream ULF waves on the energetic ion diffusion at the earth's foreshock: Theory, Simulation, and Observations

NASA Astrophysics Data System (ADS)

Otsuka, F.; Matsukiyo, S.; Kis, A.; Hada, T.

2017-12-01

Spatial diffusion of energetic particles is an important problem not only from a fundamental physics point of view but also for its application to particle acceleration processes at astrophysical shocks. Quasi-linear theory can provide the spatial diffusion coefficient as a function of the wave turbulence spectrum. By assuming a simple power-law spectrum for the turbulence, the theory has been successfully applied to diffusion and acceleration of cosmic rays in the interplanetary and interstellar medium. Near the earth's foreshock, however, the wave spectrum often has an intense peak, presumably corresponding to the upstream ULF waves generated by the field-aligned beam (FAB). In this presentation, we numerically and theoretically discuss how the intense ULF peak in the wave spectrum modifies the spatial parallel diffusion of energetic ions. The turbulence is given as a superposition of non-propagating transverse MHD waves in the solar wind rest frame, and its spectrum is composed of a piecewise power-law spectrum with different power-law indices. The diffusion coefficients are then estimated by using the quasi-linear theory and test particle simulations. We find that the presence of the ULF peak produces a concave shape of the diffusion coefficient when it is plotted versus the ion energy. The results above are used to discuss the Cluster observations of the diffuse ions at the Earth's foreshock. Using the density gradients of the energetic ions detected by the Cluster spacecraft, we determine the e-folding distances, equivalently, the spatial diffusion coefficients, of ions with their energies from 10 to 32 keV. The observed e-folding distances are significantly smaller than those estimated in the past statistical studies. This suggests that the particle acceleration at the foreshock can be more efficient than considered before. Our test particle simulation explains well the small estimate of the e-folding distances, by using the observed wave turbulence spectrum near the shock.

Statistical analysis of dispersion relations in turbulent solar wind fluctuations using Cluster data

NASA Astrophysics Data System (ADS)

Perschke, C.; Narita, Y.

2012-12-01

Multi-spacecraft measurements enable us to resolve three-dimensional spatial structures without assuming Taylor's frozen-in-flow hypothesis. This is very useful to study frequency-wave vector diagram in solar wind turbulence through direct determination of three-dimensional wave vectors. The existence and evolution of dispersion relation and its role in fully-developed plasma turbulence have been drawing attention of physicists, in particular, if solar wind turbulence represents kinetic Alfvén or whistler mode as the carrier of spectral energy among different scales through wave-wave interactions. We investigate solar wind intervals of Cluster data for various flow velocities with a high-resolution wave vector analysis method, Multi-point Signal Resonator technique, at the tetrahedral separation about 100 km. Magnetic field data and ion data are used to determine the frequency- wave vector diagrams in the co-moving frame of the solar wind. We find primarily perpendicular wave vectors in solar wind turbulence which justify the earlier discussions about kinetic Alfvén or whistler wave. The frequency- wave vector diagrams confirm (a) wave vector anisotropy and (b) scattering in frequencies.

TRILEX and G W +EDMFT approach to d -wave superconductivity in the Hubbard model

NASA Astrophysics Data System (ADS)

Vučičević, J.; Ayral, T.; Parcollet, O.

2017-09-01

We generalize the recently introduced TRILEX approach (TRiply irreducible local EXpansion) to superconducting phases. The method treats simultaneously Mott and spin-fluctuation physics using an Eliashberg theory supplemented by local vertex corrections determined by a self-consistent quantum impurity model. We show that, in the two-dimensional Hubbard model, at strong coupling, TRILEX yields a d -wave superconducting dome as a function of doping. Contrary to the standard cluster dynamical mean field theory (DMFT) approaches, TRILEX can capture d -wave pairing using only a single-site effective impurity model. We also systematically explore the dependence of the superconducting temperature on the bare dispersion at weak coupling, which shows a clear link between strong antiferromagnetic (AF) correlations and the onset of superconductivity. We identify a combination of hopping amplitudes particularly favorable to superconductivity at intermediate doping. Finally, we study within G W +EDMFT the low-temperature d -wave superconducting phase at strong coupling in a region of parameter space with reduced AF fluctuations.

VLA Discovers Giant Rings Around Galaxy Cluster

NASA Astrophysics Data System (ADS)

2006-11-01

Astronomers using the National Science Foundation's Very Large Array (VLA) radio telescope have discovered giant, ring-like structures around a cluster of galaxies. The discovery provides tantalizing new information about how such galaxy clusters are assembled, about magnetic fields in the vast spaces between galaxy clusters, and possibly about the origin of cosmic rays. Radio-Optical Image of Cluster Galaxy Cluster Abell 3376 (Radio/Optical) CREDIT: Joydeep Bagchi, IUCAA, NRAO/AUI/NSF Above, a combined radio/optical image shows the galaxy cluster Abell 3376 in visible light (blue) and radio (red) images. The giant radio arcs surrounding the cluster were discovered using the Very Large Array. The visible-light image is from the Digitized Sky survey. Below, an X-ray image of Abell 3376 made using the European Space Agency's XMM-Newton telescope shows a spectacular, bullet-shaped region of X-rays coming from gas heated to 60 million degrees Kelvin. The bullet shape results from the supersonic collision of a smaller smaller galaxy subcluster with the main body of the larger cluster. Click on images for larger version. X-Ray Image of Cluster Galaxy Cluster Abell 3376 (X-Ray) CREDIT: Joydeep Bagchi, IUCAA, ESA "These giant, radio-emitting rings probably are the result of shock waves caused by violent collisions of smaller groups of galaxies within the cluster," said Joydeep Bagchi, of the Inter-University Centre for Astronomy and Astrophysics in Pune, India, who led an international research team. The scientists reported their findings in the November 3 edition of the journal Science. The newly-discovered ring segments, some 6 million light-years across, surround a galaxy cluster called Abell 3376, more than 600 million light-years from Earth. They were revealed because fast-moving electrons emitted radio waves as they spiraled around magnetic field lines in intergalactic space. "Even from this large distance, the feeble radio waves were easily picked up by the VLA, thanks to its very high sensitivity and unique capability to make images of exceedingly faint radio-emitting objects," Bagchi said. The scientists also used the European Space Agency's XMM-Newton, the world's most sensitive X-ray observatory, to observe this extraordinary cluster of galaxies. "The advanced technical capabilities of the orbiting XMM-Newton revealed a spectacular bullet-like region of X-ray emission in this dynamically active cluster," said Gastao B. Lima Neto, of the Institute of Astronomy and Geophysics in Sao Paulo, Brazil, a co-author of the research paper. "Our X-ray observations strongly suggest a recent collision and merger of two or more smaller clusters. Such a phenomenon is among the most energetic events in the Universe after the Big Bang. Only a tiny fraction of the total energy of this collision, if transferred to electrons, would cause them to emit the radio waves observed by the VLA. However, the main question is, how this is achieved," said Florence Durret of the Astrophysical Institute of Paris, France, another of the researchers. The scientists calculated that the total energy of the colliding groups of galaxies would be enough to keep our Sun shining for more than 20 sextillion years (2 followed by 22 zeros)! "We think the shock waves that sped up these electrons came from the collision of a smaller group of galaxies with the main body of the larger cluster. When two such massive objects crash into each other at supersonic speed, gigantic ripple-like shock waves are created in the surrounding gas, which race out to the outer regions of the forming cluster at a speed of thousands of kilometers per second," Bagchi said. "You can imagine that each cluster is like a supersonic aircraft, moving faster than the speed of sound in the surrounding gas, and just as you hear a sonic boom when shock waves from an airplane pass by you, we believe that the situation in the Abell 3376 cluster is similar, with ringlike radio structures tracing out the shock waves," Bagchi explained. Such a scenario also is supported by images of the cluster made with the XMM-Newton and ROSAT X-ray satellites, as well as by computer simulations, Bagchi added. The exact mechanism for producing the shock waves is still open to question, the scientists said. "This is the first observational evidence for this type of shock wave around a massive galaxy cluster," Bagchi said. "This discovery will help us understand more about the thin gas between the galaxies, and also about the magnetic fields in the outskirts of such clusters -- magnetic fields whose origin still is unknown," he said. In addition, the scientists speculate that violent regions like those in Abell 3376 may be sites from which cosmic rays originate. Cosmic rays are protons or atomic nuclei accelerated to nearly the speed of light, and shocks such as those found in the collisions of galaxy groups may be energetic enough to provide the required amount of "kick." "Some of the most energetic cosmic ray particles detected on Earth may contain about 100 million times more energy than the highest energy achieved so far in any man-made particle accelerator. Where do these cosmic rays come from and exactly what process kicks them to such stupendous energy is still a fascinating unsolved problem of physics," said graduate student Surajit Paul of the Institute for Theoretical Physics and Astrophysisc at Wuerzburg University in Germany, who was on the research team. "A cosmic accelerator source containing powerful shock waves and magnetic fields extending over millions of light years in length is capable of accelerating a proton or nucleus to such enormous energies. Although our observations do not conclusively show the evidence for such particles, our VLA radio image does show clearly that such structures are indeed present in this galaxy cluster. Only future cosmic ray observations can tell if Abell 3376 is an ultra-high-energy cosmic ray source. We will continue to explore this fascinating cosmic laboratory in the future, employing some of the world's most sensitive radio, X-ray and gamma-ray telescopes to reveal its mysteries," Bagchi said. The National Radio Astronomy Observatory is a facility of the National Science Foundation, operated under cooperative agreement by Associated Universities, Inc.

A comparison of the bonding in organoiron clusters

NASA Astrophysics Data System (ADS)

Buhl, Margaret L.; Long, Gary J.

1994-12-01

The Mössbauer effect hyperfine parameters and the results of the Fenske-Hall molecular orbit (mo) calculations have been used to study the electronic properties of trinuclear iron, tetranuclear iron butterfly, Fe-Co, and Fe-Cu carbonyl clusters. The more negative Fe charge and the larger Fe 4s population in an Fe(CO)4 fragment as compared with that in an Fe(CO)3 or an Fe(CO)2 fragment is a result of the CO ligands rather than the near-neighbor metals. The clusters which contain heterometals have more negative isomer shifts. The isomer shift correlated well with the sum of the Fe 4s orbital population and the Zeff these electrons experience. The mo wave functions and the atomic charges generally give a larger calculated Δ E Q than is observed, indicating the need to include Sternheimer factors in the calculation. The valence contribution dominates the EFG.

Multifocal visual evoked potentials for early glaucoma detection.

PubMed

Weizer, Jennifer S; Musch, David C; Niziol, Leslie M; Khan, Naheed W

2012-07-01

To compare multifocal visual evoked potentials (mfVEP) with other detection methods in early open-angle glaucoma. Ten patients with suspected glaucoma and 5 with early open-angle glaucoma underwent mfVEP, standard automated perimetry (SAP), short-wave automated perimetry, frequency-doubling technology perimetry, and nerve fiber layer optical coherence tomography. Nineteen healthy control subjects underwent mfVEP and SAP for comparison. Comparisons between groups involving continuous variables were made using independent t tests; for categorical variables, Fisher's exact test was used. Monocular mfVEP cluster defects were associated with an increased SAP pattern standard deviation (P = .0195). Visual fields that showed interocular mfVEP cluster defects were more likely to also show superior quadrant nerve fiber layer thinning by OCT (P = .0152). Multifocal visual evoked potential cluster defects are associated with a functional and an anatomic measure that both relate to glaucomatous optic neuropathy. Copyright 2012, SLACK Incorporated.

Particle-based simulations of bilayer membranes: self-assembly, structural analysis, and shock-wave damage

NASA Astrophysics Data System (ADS)

Steinhauser, Martin O.; Schindler, Tanja

2017-01-01

We report on the results of particle-based, coarse-grained molecular dynamics simulations of amphiphilic lipid molecules in aqueous environment where the membrane structures at equilibrium are subsequently exposed to strong shock waves, and their damage is analyzed. The lipid molecules self-assemble from unbiased random initial configurations to form stable bilayer membranes, including closed vesicles. During self-assembly of lipid molecules, we observe several stages of clustering, starting with many small clusters of lipids, gradually merging together to finally form one single bilayer membrane. We find that the clustering of lipids sensitively depends on the hydrophobic interaction h_c of the lipid tails in our model and on temperature T of the system. The self-assembled bilayer membranes are quantitatively analyzed at equilibrium with respect to their degree of order and their local structure. We also show that—by analyzing the membrane fluctuations and using a linearized theory— we obtain area compression moduli K_A and bending stiffnesses κ _B for our bilayer membranes which are within the experimental range of in vivo and in vitro measurements of biological membranes. We also discuss the density profile and the pair correlation function of our model membranes at equilibrium which has not been done in previous studies of particle-based membrane models. Furthermore, we present a detailed phase diagram of our lipid model that exhibits a sol-gel transition between quasi-solid and fluid domains, and domains where no self-assembly of lipids occurs. In addition, we present in the phase diagram the conditions for temperature T and hydrophobicity h_c of the lipid tails of our model to form closed vesicles. The stable bilayer membranes obtained at equilibrium are then subjected to strong shock waves in a shock tube setup, and we investigate the damage in the membranes due to their interaction with shock waves. Here, we find a transition from self-repairing membranes (reducing their damage after impact) and permanent (irreversible) damage, depending on the shock front speed. The here presented idea of using coarse-grained (CG) particle models for soft matter systems in combination with the investigation of shock-wave effects in these systems is a quite new approach.

A 6-year Longitudinal Study of Self-harm and Suicidal Behaviors among Chinese Adolescents in Hong Kong.

PubMed

Law, Ben M F; Shek, Daniel T L

2016-02-01

To examine the trajectories of self-harm and suicidal behaviors among Chinese adolescents in Hong Kong and to investigate the related predictors, including gender, family nonintactness, economic disadvantage, positive youth development, and family functioning. We used quantitative data from a large sample of adolescent participants. Participants initially joined this study when they were in grade 7 (wave 1), and they were followed from grade 8 (wave 2) to grade 12 (wave 6). The participants consisted of 2023 grade 12 students from 28 secondary schools in Hong Kong. A multistage cluster random sampling method was adopted. Self-harm and suicidal behaviors. The trajectories of self-harm and suicidal behaviors in general declined from grade 7 to grade 12. Regarding the effect of gender, whereas adolescent girls showed a higher prevalence for self-harm and suicidal behaviors at baseline and other waves, adolescent boys showed a pronounced decline in self-harm rates. Adolescents from nonintact families were more likely to self-harm or engage in suicidal behaviors at wave 6. Economic disadvantage at wave 4 predicted higher suicidal behavior among adolescents but not self-harm at wave 6. Regarding positive youth development, several protective factors that include cognitive-behavioral competencies, prosocial attributes, general positive youth development qualities, and positive identity could help reduce self-harm and suicidal behaviors at different time points. Regarding the role of family functioning, more family conflicts predicted higher suicidality in adolescence (self-harm and suicidal behaviors), and family communication affected self-harming behaviors at wave 6. The trajectories of self-harm and suicidal behaviors decline from early to late adolescence among Chinese adolescents. Positive youth development and constructive family functioning are critical to help reduce suicidal behaviors. Regarding increased risk, more attention should be paid to adolescent girls and adolescents from nonintact and economic disadvantaged families. Copyright © 2016 North American Society for Pediatric and Adolescent Gynecology. Published by Elsevier Inc. All rights reserved.

Wave number determination of Pc 1-2 mantle waves considering He++ ions: A Cluster study

NASA Astrophysics Data System (ADS)

Grison, B.; Escoubet, C. P.; Santolík, O.; Cornilleau-Wehrlin, N.; Khotyaintsev, Y.

2014-09-01

The present case study concerns narrowband electromagnetic emission detected in the distant cusp region simultaneously with upgoing plasma flows. The wave properties match the usual properties of the Pc 1-2 mantle waves: small angle between the wave vector and the magnetic field line, left-hand polarization, and propagation toward the ionosphere. We report here the first direct wave vector measurement of these waves (about 1.2 × 10- 2 rad/km) through multi spacecraft analysis using the three magnetic components and, at the same time, through single spacecraft analysis based on the refractive index analysis using the three magnetic components and two electric components. The refractive index analysis offers a simple way to estimate wave numbers in this frequency range. Numerical calculations are performed under the observed plasma conditions. The obtained results show that the ion distribution functions are unstable to ion cyclotron instability at the observed wave vector value, due to the large ion temperature anisotropy. We thus show that these electromagnetic ion cyclotron (EMIC) waves are amplified in the distant cusp region. The Poynting flux of the waves is counterstreaming with respect to the plasma flow. This sense of propagation is consistent with the time necessary to amplify the emissions to the observed level. We point out the role of the wave damping at the He++ gyrofrequency to explain that such waves cannot be observed from the ground at the cusp foot print location.

Dry and wet granular shock waves.

PubMed

Zaburdaev, V Yu; Herminghaus, S

2007-03-01

The formation of a shock wave in one-dimensional granular gases is considered, for both the dry and the wet cases, and the results are compared with the analytical shock wave solution in a sticky gas. Numerical simulations show that the behavior of the shock wave in both cases tends asymptotically to the sticky limit. In the inelastic gas (dry case) there is a very close correspondence to the sticky gas, with one big cluster growing in the center of the shock wave, and a step-like stationary velocity profile. In the wet case, the shock wave has a nonzero width which is marked by two symmetric heavy clusters performing breathing oscillations with slowly increasing amplitude. All three models have the same asymptotic energy dissipation law, which is important in the context of the free cooling scenario. For the early stage of the shock formation and asymptotic oscillations we provide analytical results as well.

Nodal portraits of quantum billiards: Domains, lines, and statistics

NASA Astrophysics Data System (ADS)

Jain, Sudhir Ranjan; Samajdar, Rhine

2017-10-01

This is a comprehensive review of the nodal domains and lines of quantum billiards, emphasizing a quantitative comparison of theoretical findings to experiments. The nodal statistics are shown to distinguish not only between regular and chaotic classical dynamics but also between different geometric shapes of the billiard system itself. How a random superposition of plane waves can model chaotic eigenfunctions is discussed and the connections of the complex morphology of the nodal lines thereof to percolation theory and Schramm-Loewner evolution are highlighted. Various approaches to counting the nodal domains—using trace formulas, graph theory, and difference equations—are also illustrated with examples. The nodal patterns addressed pertain to waves on vibrating plates and membranes, acoustic and electromagnetic modes, wave functions of a "particle in a box" as well as to percolating clusters, and domains in ferromagnets, thus underlining the diversity and far-reaching implications of the problem.

Non-invasive localization of atrial ectopic beats by using simulated body surface P-wave integral maps

PubMed Central

Godoy, Eduardo J.; Lozano, Miguel; Martínez-Mateu, Laura; Atienza, Felipe; Saiz, Javier; Sebastian, Rafael

2017-01-01

Non-invasive localization of continuous atrial ectopic beats remains a cornerstone for the treatment of atrial arrhythmias. The lack of accurate tools to guide electrophysiologists leads to an increase in the recurrence rate of ablation procedures. Existing approaches are based on the analysis of the P-waves main characteristics and the forward body surface potential maps (BSPMs) or on the inverse estimation of the electric activity of the heart from those BSPMs. These methods have not provided an efficient and systematic tool to localize ectopic triggers. In this work, we propose the use of machine learning techniques to spatially cluster and classify ectopic atrial foci into clearly differentiated atrial regions by using the body surface P-wave integral map (BSPiM) as a biomarker. Our simulated results show that ectopic foci with similar BSPiM naturally cluster into differentiated non-intersected atrial regions and that new patterns could be correctly classified with an accuracy of 97% when considering 2 clusters and 96% for 4 clusters. Our results also suggest that an increase in the number of clusters is feasible at the cost of decreasing accuracy. PMID:28704537

Gamma-Ray Emission from Galaxy Clusters : DARK MATTER AND COSMIC-RAYS

NASA Astrophysics Data System (ADS)

Pinzke, Anders

The quest for the first detection of a galaxy cluster in the high energy gamma-ray regime is ongoing, and even though clusters are observed in several other wave-bands, there is still no firm detection in gamma-rays. To complement the observational efforts we estimate the gamma-ray contributions from both annihilating dark matter and cosmic-ray (CR) proton as well as CR electron induced emission. Using high-resolution simulations of galaxy clusters, we find a universal concave shaped CR proton spectrum independent of the simulated galaxy cluster. Specifically, the gamma-ray spectra from decaying neutral pions, which are produced by CR protons, dominate the cluster emission. Furthermore, based on our derived flux and luminosity functions, we identify the galaxy clusters with the brightest galaxy clusters in gamma-rays. While this emission is challenging to detect using the Fermi satellite, major observations with Cherenkov telescopes in the near future may put important constraints on the CR physics in clusters. To extend these predictions, we use a dark matter model that fits the recent electron and positron data from Fermi, PAMELA, and H.E.S.S. with remarkable precision, and make predictions about the expected gamma-ray flux from nearby clusters. In order to remain consistent with the EGRET upper limit on the gamma-ray emission from Virgo, we constrain the minimum mass of substructures for cold dark matter halos. In addition, we find comparable levels of gamma-ray emission from CR interactions and dark matter annihilations without Sommerfeld enhancement.

Cavitation cluster dynamics in shock-wave lithotripsy: part 1. Free field.

PubMed

Arora, M; Junge, L; Ohl, C D

2005-06-01

The spatiotemporal dynamics of cavitation bubble growth and collapse in shock-wave lithotripsy in a free field was studied experimentally. The lithotripter was equipped with two independently triggerable layers of piezoceramics. The front and back layers generated positive pressure amplitudes of 30 MPa and 15 MPa, respectively, and -10 MPa negative amplitude. The time interval between the launch of the shock waves was varied from 0 and 0.1 s, covering the regimens of pulse-modification (regimen A, delay 0 to 4 micros), shock wave-cavitation cluster interaction (B, 4 micros to 64 micros) and shock wave-gas bubble interaction (C, 256 micros to 0.1 s). The time-integrated cavitation activity was most strongly influenced in regimen A and, in regimen B, the spatial distribution of bubbles was altered, whereas enhancement of cavitation activity was observed in regimen C. Quantitative measurements of the spatial- and time-integrated void fractions were obtained with a photographic and light-scattering technique. The preconditions for a reproducible experiment are explained, with the existence of two distinct types of cavitation nuclei, small particles suspended in the liquid and residuals of bubbles from prior cavitation clusters.

Coupled cluster calculations for static and dynamic polarizabilities of C60

NASA Astrophysics Data System (ADS)

Kowalski, Karol; Hammond, Jeff R.; de Jong, Wibe A.; Sadlej, Andrzej J.

2008-12-01

New theoretical predictions for the static and frequency dependent polarizabilities of C60 are reported. Using the linear response coupled cluster approach with singles and doubles and a basis set especially designed to treat the molecular properties in external electric field, we obtained 82.20 and 83.62 Å3 for static and dynamic (λ =1064 nm) polarizabilities. These numbers are in a good agreement with experimentally inferred data of 76.5±8 and 79±4 Å3 [R. Antoine et al., J. Chem. Phys.110, 9771 (1999); A. Ballard et al., J. Chem. Phys.113, 5732 (2000)]. The reported results were obtained with the highest wave function-based level of theory ever applied to the C60 system.

Using earthquake clusters to identify fracture zones at Puna geothermal field, Hawaii

NASA Astrophysics Data System (ADS)

Lucas, A.; Shalev, E.; Malin, P.; Kenedi, C. L.

2010-12-01

The actively producing Puna geothermal system (PGS) is located on the Kilauea East Rift Zone (ERZ), which extends out from the active Kilauea volcano on Hawaii. In the Puna area the rift trend is identified as NE-SW from surface expressions of normal faulting with a corresponding strike; at PGS the surface expression offsets in a left step, but no rift perpendicular faulting is observed. An eight station borehole seismic network has been installed in the area of the geothermal system. Since June 2006, a total of 6162 earthquakes have been located close to or inside the geothermal system. The spread of earthquake locations follows the rift trend, but down rift to the NE of PGS almost no earthquakes are observed. Most earthquakes located within the PGS range between 2-3 km depth. Up rift to the SW of PGS the number of events decreases and the depth range increases to 3-4 km. All initial locations used Hypoinverse71 and showed no trends other than the dominant rift parallel. Double difference relocation of all earthquakes, using both catalog and cross-correlation, identified one large cluster but could not conclusively identify trends within the cluster. A large number of earthquake waveforms showed identifiable shear wave splitting. For five stations out of the six where shear wave splitting was observed, the dominant polarization direction was rift parallel. Two of the five stations also showed a smaller rift perpendicular signal. The sixth station (located close to the area of the rift offset) displayed a N-S polarization, approximately halfway between rift parallel and perpendicular. The shear wave splitting time delays indicate that fracture density is higher at the PGS compared to the surrounding ERZ. Correlation co-efficient clustering with independent P and S wave windows was used to identify clusters based on similar earthquake waveforms. In total, 40 localized clusters containing ten or more events were identified. The largest cluster was located in the production area for the power plant. Most of the clusters had linear features when their Hypoinverse locations were plotted. The concentration of individual linear features was higher in the PGS than the surrounding ERZ. The resolution of the features was resolved further by relocating each individual cluster through the catalog double difference method. Mapping of the linear features showed that a number of the larger features ran rift parallel. However a large number of rift perpendicular features were also identified. In the area where the anomalous (N-S) shear wave polarization was observed, a number of linear features with a similar orientation were identified. We assume that events occurring on the same fracture zone have similar source mechanisms and thus similar waveforms. It is concluded that the linear features identified by earthquake clustering are fracture zones. The orientation and concentration of the fracture zones is consistent with that of the shear wave splitting polarizations.

American Conference on Theoretical Chemistry Held in Gull Lake, Minnesota on July 25-31, 1987.

DTIC Science & Technology

1988-01-01

papers each. These formal presentations provide an opportunity for you to meet the author, especially if you don’t know what he or she looks like...Pennsylvania Philadelphia, PA 19104 Abstract Based on the computational results of recent studies using correlated wave functions ( especially via the...8217 that the even-membered hydrogen ion clusters H+ , H’, and H + have been positively identified. Especially interesting is their - finding of large

Basis set limit and systematic errors in local-orbital based all-electron DFT

NASA Astrophysics Data System (ADS)

Blum, Volker; Behler, Jörg; Gehrke, Ralf; Reuter, Karsten; Scheffler, Matthias

2006-03-01

With the advent of efficient integration schemes,^1,2 numeric atom-centered orbitals (NAO's) are an attractive basis choice in practical density functional theory (DFT) calculations of nanostructured systems (surfaces, clusters, molecules). Though all-electron, the efficiency of practical implementations promises to be on par with the best plane-wave pseudopotential codes, while having a noticeably higher accuracy if required: Minimal-sized effective tight-binding like calculations and chemically accurate all-electron calculations are both possible within the same framework; non-periodic and periodic systems can be treated on equal footing; and the localized nature of the basis allows in principle for O(N)-like scaling. However, converging an observable with respect to the basis set is less straightforward than with competing systematic basis choices (e.g., plane waves). We here investigate the basis set limit of optimized NAO basis sets in all-electron calculations, using as examples small molecules and clusters (N2, Cu2, Cu4, Cu10). meV-level total energy convergence is possible using <=50 basis functions per atom in all cases. We also find a clear correlation between the errors which arise from underconverged basis sets, and the system geometry (interatomic distance). ^1 B. Delley, J. Chem. Phys. 92, 508 (1990), ^2 J.M. Soler et al., J. Phys.: Condens. Matter 14, 2745 (2002).

The Interplay of Rogue and Clustered Ryanodine Receptors Regulates Ca2+ Waves in Cardiac Myocytes.

PubMed

Chen, Xudong; Feng, Yundi; Huo, Yunlong; Tan, Wenchang

2018-01-01

Ca 2+ waves in cardiac myocytes can lead to arrhythmias owing to delayed after-depolarisations. Based on Ca 2+ regulation from the junctional sarcoplasmic reticulum (JSR), a mathematical model was developed to investigate the interplay of clustered and rogue RyRs on Ca 2+ waves. The model successfully reproduces Ca 2+ waves in cardiac myocytes, which are in agreement with experimental results. A new wave propagation mode of "spark-diffusion-quark-spark" is put forward. It is found that rogue RyRs greatly increase the initiation of Ca 2+ sparks, further contribute to the formation and propagation of Ca 2+ waves when the free Ca 2+ concentration in JSR lumen ([Ca 2+ ] lumen ) is higher than a threshold value of 0.7 mM. Computational results show an exponential increase in the velocity of Ca 2+ waves with [Ca 2+ ] lumen . In addition, more CRUs of rogue RyRs and Ca 2+ release from rogue RyRs result in higher velocity and amplitude of Ca 2+ waves. Distance between CRUs significantly affects the velocity of Ca 2+ waves, but not the amplitude. This work could improve understanding the mechanism of Ca 2+ waves in cardiac myocytes.

The Interplay of Rogue and Clustered Ryanodine Receptors Regulates Ca2+ Waves in Cardiac Myocytes

PubMed Central

Chen, Xudong; Feng, Yundi; Huo, Yunlong; Tan, Wenchang

2018-01-01

Ca2+ waves in cardiac myocytes can lead to arrhythmias owing to delayed after-depolarisations. Based on Ca2+ regulation from the junctional sarcoplasmic reticulum (JSR), a mathematical model was developed to investigate the interplay of clustered and rogue RyRs on Ca2+ waves. The model successfully reproduces Ca2+ waves in cardiac myocytes, which are in agreement with experimental results. A new wave propagation mode of “spark-diffusion-quark-spark” is put forward. It is found that rogue RyRs greatly increase the initiation of Ca2+ sparks, further contribute to the formation and propagation of Ca2+ waves when the free Ca2+ concentration in JSR lumen ([Ca2+]lumen) is higher than a threshold value of 0.7 mM. Computational results show an exponential increase in the velocity of Ca2+ waves with [Ca2+]lumen. In addition, more CRUs of rogue RyRs and Ca2+ release from rogue RyRs result in higher velocity and amplitude of Ca2+ waves. Distance between CRUs significantly affects the velocity of Ca2+ waves, but not the amplitude. This work could improve understanding the mechanism of Ca2+ waves in cardiac myocytes. PMID:29755362

Theoretical study of cathode surfaces and high-temperature superconductors

NASA Technical Reports Server (NTRS)

Mueller, Wolfgang

1994-01-01

The surface-dipole properties of model cathode surfaces have been investigated with relativistic scattered-wave cluster calculations. Work-function/coverage curves have been derived from these data by employing the depolarization model of interacting surface dipoles. Accurate values have been obtained for the minimum work functions of several low-work-function surfaces. In the series BaO on bcc W, hcp Os, and fcc Pt, BaO/Os shows a lower and BaO/Pt a higher work function than BaO/W, which is attributed to the different substrate crystal structures involved. Results are also presented on the electronic structure of the high-temperature superconductor YBa2Cu3O7, which has been investigated with fully relativistic calculations for the first time.

TWave: High-Order Analysis of Functional MRI

PubMed Central

Barnathan, Michael; Megalooikonomou, Vasileios; Faloutsos, Christos; Faro, Scott; Mohamed, Feroze B.

2011-01-01

The traditional approach to functional image analysis models images as matrices of raw voxel intensity values. Although such a representation is widely utilized and heavily entrenched both within neuroimaging and in the wider data mining community, the strong interactions among space, time, and categorical modes such as subject and experimental task inherent in functional imaging yield a dataset with “high-order” structure, which matrix models are incapable of exploiting. Reasoning across all of these modes of data concurrently requires a high-order model capable of representing relationships between all modes of the data in tandem. We thus propose to model functional MRI data using tensors, which are high-order generalizations of matrices equivalent to multidimensional arrays or data cubes. However, several unique challenges exist in the high-order analysis of functional medical data: naïve tensor models are incapable of exploiting spatiotemporal locality patterns, standard tensor analysis techniques exhibit poor efficiency, and mixtures of numeric and categorical modes of data are very often present in neuroimaging experiments. Formulating the problem of image clustering as a form of Latent Semantic Analysis and using the WaveCluster algorithm as a baseline, we propose a comprehensive hybrid tensor and wavelet framework for clustering, concept discovery, and compression of functional medical images which successfully addresses these challenges. Our approach reduced runtime and dataset size on a 9.3 GB finger opposition motor task fMRI dataset by up to 98% while exhibiting improved spatiotemporal coherence relative to standard tensor, wavelet, and voxel-based approaches. Our clustering technique was capable of automatically differentiating between the frontal areas of the brain responsible for task-related habituation and the motor regions responsible for executing the motor task, in contrast to a widely used fMRI analysis program, SPM, which only detected the latter region. Furthermore, our approach discovered latent concepts suggestive of subject handedness nearly 100x faster than standard approaches. These results suggest that a high-order model is an integral component to accurate scalable functional neuroimaging. PMID:21729758

A fuzzy automated object classification by infrared laser camera

NASA Astrophysics Data System (ADS)

Kanazawa, Seigo; Taniguchi, Kazuhiko; Asari, Kazunari; Kuramoto, Kei; Kobashi, Syoji; Hata, Yutaka

2011-06-01

Home security in night is very important, and the system that watches a person's movements is useful in the security. This paper describes a classification system of adult, child and the other object from distance distribution measured by an infrared laser camera. This camera radiates near infrared waves and receives reflected ones. Then, it converts the time of flight into distance distribution. Our method consists of 4 steps. First, we do background subtraction and noise rejection in the distance distribution. Second, we do fuzzy clustering in the distance distribution, and form several clusters. Third, we extract features such as the height, thickness, aspect ratio, area ratio of the cluster. Then, we make fuzzy if-then rules from knowledge of adult, child and the other object so as to classify the cluster to one of adult, child and the other object. Here, we made the fuzzy membership function with respect to each features. Finally, we classify the clusters to one with the highest fuzzy degree among adult, child and the other object. In our experiment, we set up the camera in room and tested three cases. The method successfully classified them in real time processing.

Multiconfiguration resonating-group theory of the seven-nucleon system with realistic cluster wave functions

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

Fujiwara, Y.; Tang, Y.C.

1985-02-01

The properties of the seven-nucleon system are examined with a multiconfiguration and multi- channel resonating-group calculation. The cluster internal functions employed explain the charge-form-factor data over a wide range of q/sup 2/ and satisfy the variational stability condition quite well. The model space used is spanned by /sup 3/H+..cap alpha.., n+ /sup 6/Li, n+ /sup 6/Li(, and d+ /sup 5/He cluster configurations. The result shows that the specific distortion of the /sup 3/H+..cap alpha.. system is quite significant. With our multiconfiguration calculation, the ground-state energy is improved by more than 1 MeV. The calculated level spectrum agrees well with themore » level spectrum empirically determined. The energy positions of both natural-parity and unnatural-parity levels are reasonably explained. In addition, we find that, because of centrifugal-barrier effects, the aligned configuration generally makes the most sig- nificant contribution. The characteristics of nucleon-exchange terms are also briefly examined. Here it is found that, at sufficiently high energies where sharp resonance levels do not exist, the essential properties of these terms can already be learned by performing relatively simple single-configuration calculations.« less

SUPERNOVAE AND THEIR EXPANDING BLAST WAVES DURING THE EARLY EVOLUTION OF GALACTIC GLOBULAR CLUSTERS

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

Tenorio-Tagle, Guillermo; Silich, Sergiy; Muñoz-Tuñón, Casiana

2015-11-20

Our arguments deal with the early evolution of Galactic globular clusters and show why only a few of the supernovae (SNe) products were retained within globular clusters and only in the most massive cases (M ≥ 10{sup 6} M{sub ⊙}), while less massive clusters were not contaminated at all by SNe. Here, we show that SN blast waves evolving in a steep density gradient undergo blowout and end up discharging their energy and metals into the medium surrounding the clusters. This inhibits the dispersal and the contamination of the gas left over from a first stellar generation. Only the ejecta from well-centeredmore » SNe that evolve into a high-density medium available for a second stellar generation (2SG) in the most massive clusters would be retained. These are likely to mix their products with the remaining gas, eventually leading in these cases to an Fe-contaminated 2SG.« less

High β effects on cosmic ray streaming in galaxy clusters

NASA Astrophysics Data System (ADS)

Wiener, Joshua; Zweibel, Ellen G.; Oh, S. Peng

2018-01-01

Diffuse, extended radio emission in galaxy clusters, commonly referred to as radio haloes, indicate the presence of high energy cosmic ray (CR) electrons and cluster-wide magnetic fields. We can predict from theory the expected surface brightness of a radio halo, given magnetic field and CR density profiles. Previous studies have shown that the nature of CR transport can radically effect the expected radio halo emission from clusters (Wiener, Oh & Guo 2013). Reasonable levels of magnetohydrodynamic (MHD) wave damping can lead to significant CR streaming speeds. But a careful treatment of MHD waves in a high β plasma, as expected in cluster environments, reveals damping rates may be enhanced by a factor of β1/2. This leads to faster CR streaming and lower surface brightnesses than without this effect. In this work, we re-examine the simplified, 1D Coma cluster simulations (with radial magnetic fields) of Wiener et al. (2013) and discuss observable consequences of this high β damping. Future work is required to study this effect in more realistic simulations.

A statistical study of EMIC waves observed by Cluster: 2. Associated plasma conditions

NASA Astrophysics Data System (ADS)

Allen, R. C.; Zhang, J.-C.; Kistler, L. M.; Spence, H. E.; Lin, R.-L.; Klecker, B.; Dunlop, M. W.; André, M.; Jordanova, V. K.

2016-07-01

This is the second in a pair of papers discussing a statistical study of electromagnetic ion cyclotron (EMIC) waves detected during 10 years (2001-2010) of Cluster observations. In the first paper, an analysis of EMIC wave properties (i.e., wave power, polarization, normal angle, and wave propagation angle) is presented in both the magnetic latitude (MLAT)-distance as well as magnetic local time (MLT)-L frames. This paper focuses on the distribution of EMIC wave-associated plasma conditions as well as two EMIC wave generation proxies (the electron plasma frequency to gyrofrequency ratio proxy and the linear theory proxy) in these same frames. Based on the distributions of hot H+ anisotropy, electron and hot H+ density measurements, hot H+ parallel plasma beta, and the calculated wave generation proxies, three source regions of EMIC waves appear to exist: (1) the well-known overlap between cold plasmaspheric or plume populations with hot anisotropic ring current populations in the postnoon to dusk MLT region; (2) regions all along the dayside magnetosphere at high L shells related to dayside magnetospheric compression and drift shell splitting; and (3) off-equator regions possibly associated with the Shabansky orbits in the dayside magnetosphere.

Theta and Alpha Oscillations Are Traveling Waves in the Human Neocortex.

PubMed

Zhang, Honghui; Watrous, Andrew J; Patel, Ansh; Jacobs, Joshua

2018-06-01

Human cognition requires the coordination of neural activity across widespread brain networks. Here, we describe a new mechanism for large-scale coordination in the human brain: traveling waves of theta and alpha oscillations. Examining direct brain recordings from neurosurgical patients performing a memory task, we found contiguous clusters of cortex in individual patients with oscillations at specific frequencies within 2 to 15 Hz. These oscillatory clusters displayed spatial phase gradients, indicating that they formed traveling waves that propagated at ∼0.25-0.75 m/s. Traveling waves were relevant behaviorally because their propagation correlated with task events and was more consistent when subjects performed the task well. Human traveling theta and alpha waves can be modeled by a network of coupled oscillators because the direction of wave propagation correlated with the spatial orientation of local frequency gradients. Our findings suggest that oscillations support brain connectivity by organizing neural processes across space and time. Copyright © 2018 Elsevier Inc. All rights reserved.

Scattering images from autocorrelation functions of P-wave seismic velocity images: the case of Tenerife Island (Canary Islands, Spain)

NASA Astrophysics Data System (ADS)

García-Yeguas, A.; Sánchez-Alzola, A.; De Siena, L.; Prudencio, J.; Díaz-Moreno, A.; Ibáñez, J. M.

2018-03-01

We present a P-wave scattering image of the volcanic structures under Tenerife Island using the autocorrelation functions of P-wave vertical velocity fluctuations. We have applied a cluster analysis to total quality factor attenuation ( {Q}_t^{-1} ) and scattering quality factor attenuation ( {Q}_{PSc}^{-1} ) images to interpret the structures in terms of intrinsic and scattering attenuation variations on a 2D plane, corresponding to a depth of 2000 m, and check the robustness of the scattering imaging. The results show that scattering patterns are similar to total attenuation patterns in the south of the island. There are two main areas where patterns differ: at Cañadas-Teide-Pico Viejo Complex, high total attenuation and average-to-low scattering values are observed. We interpret the difference as induced by intrinsic attenuation. In the Santiago Ridge Zone (SRZ) region, high scattering values correspond to average total attenuation. In our interpretation, the anomaly is induced by an extended scatterer, geometrically related to the surficial traces of Garachico and El Chinyero historical eruptions and the area of highest seismic activity during the 2004-2008 seismic crises.

Theory of liquid crystal orientation under action of light wave field and aligning surfaces

NASA Astrophysics Data System (ADS)

Dadivanyan, A. K.; Chausov, D. N.; Belyaev, V. V.; Barabanova, N. N.; Chausova, O. V.; Kuleshova, Yu D.

2018-03-01

Theoretical models developed in the MRSU group under leadership of Professor Artem Dadivanyan in area of the LC orientation and photo-induced effects are presented. Angular distribution functions of the dye and liquid crystal molecules under action of intensive light beam have been derived. The number of molecules in cluster is estimated. A model of dimers formation in the photoalignment dye is suggested that explains influence of the dye molecular structure on both polar and azimuthal anchoring energy.

Computation of shock wave/target interaction

NASA Technical Reports Server (NTRS)

Mark, A.; Kutler, P.

1983-01-01

Computational results of shock waves impinging on targets and the ensuing diffraction flowfield are presented. A number of two-dimensional cases are computed with finite difference techniques. The classical case of a shock wave/cylinder interaction is compared with shock tube data and shows the quality of the computations on a pressure-time plot. Similar results are obtained for a shock wave/rectangular body interaction. Here resolution becomes important and the use of grid clustering techniques tend to show good agreement with experimental data. Computational results are also compared with pressure data resulting from shock impingement experiments for a complicated truck-like geometry. Here of significance are the grid generation and clustering techniques used. For these very complicated bodies, grids are generated by numerically solving a set of elliptic partial differential equations.

Magnetosheath plasma stability and ULF wave occurrence as a function of location in the magnetosheath and upstream bow shock parameters

NASA Astrophysics Data System (ADS)

Soucek, Jan; Escoubet, C. Philippe; Grison, Benjamin

2015-04-01

We present the results of a statistical study of the distribution of mirror and Alfvén-ion cyclotron (AIC) waves in the magnetosheath together with plasma parameters important for the stability of ULF waves, specifically ion temperature anisotropy and ion beta. Magnetosheath crossings registered by Cluster spacecraft over the course of 2 years served as a basis for the statistics. For each observation we used bow shock, magnetopause, and magnetosheath flow models to identify the relative position of the spacecraft with respect to magnetosheath boundaries and local properties of the upstream shock crossing. A strong dependence of both plasma parameters and mirror/AIC wave occurrence on upstream ΘBn and MA is identified. We analyzed a joint dependence of the same parameters on ΘBn and fractional distance between shock and magnetopause, zenith angle, and length of the flow line. Finally, the occurrence of mirror and AIC modes was compared against the respective instability thresholds. We noted that AIC waves occurred nearly exclusively under mirror stable conditions. This is interpreted in terms of different characters of nonlinear saturation of the two modes.

Simulation of electromagnetic ion cyclotron triggered emissions in the Earth's inner magnetosphere

NASA Astrophysics Data System (ADS)

Shoji, Masafumi; Omura, Yoshiharu

2011-05-01

In a recent observation by the Cluster spacecraft, emissions triggered by electromagnetic ion cyclotron (EMIC) waves were discovered in the inner magnetosphere. We perform hybrid simulations to reproduce the EMIC triggered emissions. We develop a self-consistent one-dimensional hybrid code with a cylindrical geometry of the background magnetic field. We assume a parabolic magnetic field to model the dipole magnetic field in the equatorial region of the inner magnetosphere. Triggering EMIC waves are driven by a left-handed polarized external current assumed at the magnetic equator in the simulation model. Cold proton, helium, and oxygen ions, which form branches of the dispersion relation of the EMIC waves, are uniformly distributed in the simulation space. Energetic protons with a loss cone distribution function are also assumed as resonant particles. We reproduce rising tone emissions in the simulation space, finding a good agreement with the nonlinear wave growth theory. In the energetic proton velocity distribution we find formation of a proton hole, which is assumed in the nonlinear wave growth theory. A substantial amount of the energetic protons are scattered into the loss cone, while some of the resonant protons are accelerated to higher pitch angles, forming a pancake velocity distribution.

Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

PubMed

Bandura, A V; Sofo, J O; Kubicki, J D

2006-04-27

Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

An in-depth look into PTSD-depression comorbidity: A longitudinal study of chronically-exposed Detroit residents.

PubMed

Horesh, Danny; Lowe, Sarah R; Galea, Sandro; Aiello, Allison E; Uddin, Monica; Koenen, Karestan C

2017-01-15

Although PTSD-major depressive disorder (MDD) co-morbidity is well-established, the vast majority of studies have examined comorbidity at the level of PTSD total severity, rather than at the level of specific PTSD symptom clusters. This study aimed to examine the long-term associations between MDD and PTSD symptom clusters (intrusion, avoidance, hyperarousal), and the moderating role of gender in these associations. 942 residents of urban Detroit neighborhoods were interviewed at 3 waves, 1 year apart. At each wave, they were assessed for PTSD, depression, trauma exposure, and stressful life events. At all waves, hyperarousal was the PTSD cluster most strongly correlated with MDD. For the full sample, a reciprocal relationship was found between MDD and all three PTSD clusters across time. Interestingly, the relative strength of associations between MDD and specific PTSD clusters changed over time. Women showed the same bidirectional MDD-PTSD pattern as in the entire sample, while men sometimes showed non-significant associations between early MDD and subsequent PTSD clusters. First, our analyses are based on DSM-IV criteria, as this was the existing edition at the time of this study. Second, although this is a longitudinal study, inferences regarding temporal precedence of one disorder over another must be made with caution. Early identification of either PTSD or MDD following trauma may be crucial in order to prevent the development of the other disorder over time. The PTSD cluster of hyper-arousal may require special therapeutic attention. Also, professionals are encouraged to develop more gender-specific interventions post-trauma. Copyright © 2016 Elsevier B.V. All rights reserved.

Antiferromagnetism and superconductivity in layered organic conductors: Variational cluster approach.

PubMed

Sahebsara, P; Sénéchal, D

2006-12-22

The kappa-(ET)2X layered conductors (where ET stands for BEDT-TTF) are studied within the dimer model as a function of the diagonal hopping t' and Hubbard repulsion U. Antiferromagnetism and d-wave superconductivity are investigated at zero temperature using variational cluster perturbation theory (VCPT). For large U, Néel antiferromagnetism exists for t' < t(c2)', with t(c2)' approximately 0.9. For fixed t', as U is decreased (or pressure increased), a d(x2-y2) superconducting phase appears. When U is decreased further, then a d(xy) order takes over. There is a critical value of t(c1)' approximately 0.8 of t' beyond which the AF and dSC phases are separated by the Mott disordered phase.

Role of perinuclear mitochondria in the spatiotemporal dynamics of spontaneous Ca2+ waves in interstitial cells of Cajal-like cells of the rabbit urethra

PubMed Central

Hashiatni, Hikaru; Lang, Richard J; Suzuki, Hikaru

2010-01-01

BACKGROUND AND PURPOSE Although spontaneous Ca2+ waves in interstitial cells of Cajal (ICC)-like cells (ICC-LCs) primarily arise from endoplasmic reticulum (ER) Ca2+ release, the interactions among mitochondrial Ca2+ buffering, cellular energetics and ER Ca2+ release in determining the spatiotemporal dynamics of intracellular Ca2+ remain to be elucidated. EXPERIMENTAL APPROACH Spontaneous Ca2+ transients in freshly isolated ICC-LCs of the rabbit urethra were visualized using fluo-4 Ca2+ imaging, while the intracellular distribution of mitochondria was viewed with MitoTracker Red. KEY RESULTS Spontaneous Ca2+ waves invariably originated from the perinuclear region where clusters of mitochondria surround the nucleus. Perinuclear Ca2+ dynamics were characterized by a gradual rise in basal Ca2+ that preceded each regenerative Ca2+ transient. Caffeine evoked oscillatory Ca2+ waves originating from anywhere within ICC-LCs. Ryanodine or cyclopiazonic acid prevented Ca2+ wave generation with a rise in basal Ca2+, and subsequent caffeine evoked a single rudimentary Ca2+ transient. Inhibition of glycolysis with 2-deoxy-glucose or carbonyl cyanide 3-chlorophenylhydrazone, a mitochondrial protonophore, increased basal Ca2+ and abolished Ca2+ waves. However, caffeine still induced oscillatory Ca2+ transients. Mitochondrial Ca2+ uptake inhibition with RU360 attenuated Ca2+ wave amplitudes, while mitochondrial Ca2+ efflux inhibition with CGP37157 suppressed the initial Ca2+ rise to reduce Ca2+ wave frequency. CONCLUSIONS AND IMPLICATIONS Perinuclear mitochondria in ICC-LCs play a dominant role in the spatial regulation of Ca2+ wave generation and may regulate ER Ca2+ release frequency by buffering Ca2+ within microdomains between both organelles. Glycolysis inhibition reduced mitochondrial Ca2+ buffering without critically disrupting ER function. Perinuclear mitochondria may function as sensors of intracellular metabolites. PMID:20880405

Demystifying rotors and their place in clinical translation of atrial fibrillation mechanisms.

PubMed

Nattel, Stanley; Xiong, Feng; Aguilar, Martin

2017-09-01

Treatment of atrial fibrillation (AF), the most common arrhythmia in clinical practice, remains challenging. Improved understanding of underlying mechanisms is needed to improve therapy. Functional re-entry is central to AF maintenance. The first detailed, quantitative theory of functional re-entry, the 'leading circle' model, was developed 40 years ago. Subsequently, an alternative paradigm based on 'spiral waves' has evolved. Spiral-wave generators, or 'rotors', have been identified using advanced mapping methods in experimental and clinical AF. A central tool in the analysis of spiral-wave rotors is the phase transformation, allowing for easier visualization of rotors and tracking of 'phase singularity' points at the rotor tip. In contrast to leading circle theory, which is expressed in terms familiar to (and easily understood by) cardiologists, the ideas needed to understand rotors are much more theoretical and harder for clinicians to apply. In this Review, we summarize the basic notions of phase mapping and spiral-wave rotors, and the ways in which rotor sources might be involved in AF maintenance. We discuss competing observations about the role of spatially confined rotors, short-lived rotors clustered at the edge of fibrotic zones, endocardial-epicardial interactive breeder properties and transmural re-entry, as well as studies underway to resolve them. We conclude with consideration of the clinical relevance of the issues discussed and their potential implications for the management of patients with AF.

Observation of proton chorus waves close to the equatorial plane by Cluster

NASA Astrophysics Data System (ADS)

Grison, B.; Pickett, J. S.; Santolik, O.; Robert, P.; Cornilleau-Wehrlin, N.; Engebretson, M. J.; Constantinescu, D. O.

2009-12-01

Whistler mode chorus waves are a widely studied phenomena. They are present in numerous regions of the magnetosphere and are presumed to originate in the magnetic equatorial region. In a spectrogram they are characterized by narrowband features with rise (or fall) in frequency over short periods of time. Being whistler mode waves around a few tenths of the electron cyclotron frequency they interact mainly with electrons. In the present study we report observations by the Cluster spacecraft of what we call proton chorus waves. They have spectral features with rising frequency, similar to the electron chorus waves, but they are detected in a frequency range that starts roughly at 0.50fH+ up to fH+ (the local proton gyro-frequency). The lower part of their spectrum seems to originate from monochromatic Pc 1 waves (1.5 Hz). Proton chorus waves are detected close to the magnetic equatorial plane in both hemispheres during the same event. Our interpretation of these waves as proton chorus is supported by polarization analysis with the Roproc procedures and the Prassadco software using both the magnetic (STAFF-SC) and electric (EFW) parts of the fluctuations spectrum.

Dynamical Effects in Metal-Organic Frameworks: The Microporous Materials as Shock Absorbers

NASA Astrophysics Data System (ADS)

Banlusan, Kiettipong; Strachan, Alejandro

2017-06-01

Metal-organic frameworks (MOFs) are a class of nano-porous crystalline solids consisting of inorganic units coordinated to organic linkers. The unique molecular structures and outstanding properties with ultra-high porosity and tunable chemical functionality by various choices of metal clusters and organic ligands make this class of materials attractive for many applications. The complex and quite unique responses of these materials to mechanical loading including void collapse make them attractive for applications in energy absorption and storage. We will present using large-scale molecular dynamics simulations to investigate shock propagation in zeolitic imidazolate framework ZIF-8 and MOF-5. We find that for shock strengths above a threshold a two-wave structure develops with a leading elastic precursor followed by a second wave of structural collapse to relax the stress. Structural transition of MOFs in response to shock waves corresponds to the transition between two Hugoniot curves, and results in abrupt change in temperature. The pore-collapse wave propagates at slower velocity than the leading wave and weakens it, resulting in shock attenuation. Increasing piston speed results in faster propagation of pore-collapse wave, but the leading elastic wave remains unchanged below the overdriven regime. We discuss how the molecular structure of the MOFs and shock propagation direction affect the response of the materials and their ability to weaken shocks. Office of Naval Research, MURI 2012 02341 01.

Competitive aggregation dynamics using phase wave signals.

PubMed

Sakaguchi, Hidetsugu; Maeyama, Satomi

2014-10-21

Coupled equations of the phase equation and the equation of cell concentration n are proposed for competitive aggregation dynamics of slime mold in two dimensions. Phase waves are used as tactic signals of aggregation in this model. Several aggregation clusters are formed initially, and target patterns appear around the localized aggregation clusters. Owing to the competition among target patterns, the number of the localized aggregation clusters decreases, and finally one dominant localized pattern survives. If the phase equation is replaced with the complex Ginzburg-Landau equation, several spiral patterns appear, and n is localized near the center of the spiral patterns. After the competition among spiral patterns, one dominant spiral survives. Copyright © 2014 Elsevier Ltd. All rights reserved.

Whistler Waves Driven by Anisotropic Strahl Velocity Distributions: Cluster Observations

NASA Technical Reports Server (NTRS)

Vinas, A.F.; Gurgiolo, C.; Nieves-Chinchilla, T.; Gary, S. P.; Goldstein, M. L.

2010-01-01

Observed properties of the strahl using high resolution 3D electron velocity distribution data obtained from the Cluster/PEACE experiment are used to investigate its linear stability. An automated method to isolate the strahl is used to allow its moments to be computed independent of the solar wind core+halo. Results show that the strahl can have a high temperature anisotropy (T(perpindicular)/T(parallell) approximately > 2). This anisotropy is shown to be an important free energy source for the excitation of high frequency whistler waves. The analysis suggests that the resultant whistler waves are strong enough to regulate the electron velocity distributions in the solar wind through pitch-angle scattering

Spectral-element simulation of two-dimensional elastic wave propagation in fully heterogeneous media on a GPU cluster

NASA Astrophysics Data System (ADS)

Rudianto, Indra; Sudarmaji

2018-04-01

We present an implementation of the spectral-element method for simulation of two-dimensional elastic wave propagation in fully heterogeneous media. We have incorporated most of realistic geological features in the model, including surface topography, curved layer interfaces, and 2-D wave-speed heterogeneity. To accommodate such complexity, we use an unstructured quadrilateral meshing technique. Simulation was performed on a GPU cluster, which consists of 24 core processors Intel Xeon CPU and 4 NVIDIA Quadro graphics cards using CUDA and MPI implementation. We speed up the computation by a factor of about 5 compared to MPI only, and by a factor of about 40 compared to Serial implementation.

Aspects of perturbation theory in quantum mechanics: The BenderWuMATHEMATICA® package

NASA Astrophysics Data System (ADS)

Sulejmanpasic, Tin; Ünsal, Mithat

2018-07-01

We discuss a general setup which allows the study of the perturbation theory of an arbitrary, locally harmonic 1D quantum mechanical potential as well as its multi-variable (many-body) generalization. The latter may form a prototype for regularized quantum field theory. We first generalize the method of Bender-Wu,and derive exact recursion relations which allow the determination of the perturbative wave-function and energy corrections to an arbitrary order, at least in principle. For 1D systems, we implement these equations in an easy to use MATHEMATICA® package we call BenderWu. Our package enables quick home-computer computation of high orders of perturbation theory (about 100 orders in 10-30 s, and 250 orders in 1-2 h) and enables practical study of a large class of problems in Quantum Mechanics. We have two hopes concerning the BenderWu package. One is that due to resurgence, large amount of non-perturbative information, such as non-perturbative energies and wave-functions (e.g. WKB wave functions), can in principle be extracted from the perturbative data. We also hope that the package may be used as a teaching tool, providing an effective bridge between perturbation theory and non-perturbative physics in textbooks. Finally, we show that for the multi-variable case, the recursion relation acquires a geometric character, and has a structure which allows parallelization to computer clusters.

SPT-GMOS: A GEMINI/GMOS-SOUTH SPECTROSCOPIC SURVEY OF GALAXY CLUSTERS IN THE SPT-SZ SURVEY

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

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.

We present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg{sup 2} of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goal ofmore » these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W , of [O ii] λλ 3727, 3729 and H- δ , and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m {sup ⋆}). Finally, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ∼20% of the full SPT-SZ sample.« less

SPT-GMOS: A Gemini/GMOS-South Spectroscopic survey of galaxy clusters in the SPT-SZ survey

DOE PAGES

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.; ...

2016-11-01

Here, we present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg 2 of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goalmore » of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W, of [O II] λλ3727, 3729 and H-δ, and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m*). Lastly, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ~20% of the full SPT-SZ sample.« less

SPT-GMOS: A Gemini/GMOS-South Spectroscopic survey of galaxy clusters in the SPT-SZ survey

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

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.

Here, we present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg 2 of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goalmore » of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W, of [O II] λλ3727, 3729 and H-δ, and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m*). Lastly, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ~20% of the full SPT-SZ sample.« less

SPT-GMOS: A Gemini/GMOS-South Spectroscopic Survey of Galaxy Clusters in the SPT-SZ Survey

NASA Astrophysics Data System (ADS)

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.; Allen, S. W.; Applegate, D. E.; Ashby, M. L. N.; Bautz, M.; Benson, B. A.; Bleem, L. E.; Bocquet, S.; Brodwin, M.; Capasso, R.; Carlstrom, J. E.; Chang, C. L.; Chiu, I.; Cho, H.-M.; Clocchiatti, A.; Crawford, T. M.; Crites, A. T.; de Haan, T.; Desai, S.; Dietrich, J. P.; Dobbs, M. A.; Doucouliagos, A. N.; Foley, R. J.; Forman, W. R.; Garmire, G. P.; George, E. M.; Gladders, M. D.; Gonzalez, A. H.; Gupta, N.; Halverson, N. W.; Hlavacek-Larrondo, J.; Hoekstra, H.; Holder, G. P.; Holzapfel, W. L.; Hou, Z.; Hrubes, J. D.; Huang, N.; Jones, C.; Keisler, R.; Knox, L.; Lee, A. T.; Leitch, E. M.; von der Linden, A.; Luong-Van, D.; Mantz, A.; Marrone, D. P.; McDonald, M.; McMahon, J. J.; Meyer, S. S.; Mocanu, L. M.; Mohr, J. J.; Murray, S. S.; Padin, S.; Pryke, C.; Rapetti, D.; Reichardt, C. L.; Rest, A.; Ruhl, J. E.; Saliwanchik, B. R.; Saro, A.; Sayre, J. T.; Schaffer, K. K.; Schrabback, T.; Shirokoff, E.; Song, J.; Spieler, H. G.; Stalder, B.; Stanford, S. A.; Staniszewski, Z.; Stark, A. A.; Story, K. T.; Vanderlinde, K.; Vieira, J. D.; Vikhlinin, A.; Williamson, R.; Zenteno, A.

2016-11-01

We present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg2 of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goal of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W, of [O II] λλ3727, 3729 and H-δ, and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m⋆). Finally, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ∼20% of the full SPT-SZ sample.

Variational Calculation of the Ground State of Closed-Shell Nuclei Up to $A$ = 40

DOE PAGES

Lonardoni, Diego; Lovato, Alessandro; Pieper, Steven C.; ...

2017-08-31

Variational calculations of ground-state properties of 4He, 16O and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes twoand three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, point density, single-nucleon momentum distribution, charge form factor, and Coulombmore » sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥ 16. In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibit a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He, 16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.« less

Angstrom-Resolution Magnetic Resonance Imaging of Single Molecules via Wave-Function Fingerprints of Nuclear Spins

NASA Astrophysics Data System (ADS)

Ma, Wen-Long; Liu, Ren-Bao

2016-08-01

Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond quantum sensing has enabled single-nucleus NMR and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the "frequency fingerprints" of target nuclear spins. The frequency fingerprints by their nature cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear-spin clusters, which limit the resolution of single-molecule MRI. Here we show that this limitation can be overcome by using "wave-function fingerprints" of target nuclear spins, which is much more sensitive than the frequency fingerprints to the weak hyperfine interaction between the targets and a sensor under resonant DD control. We demonstrate a scheme of angstrom-resolution MRI that is capable of counting and individually localizing single nuclear spins of the same frequency and characterizing the correlations in nuclear-spin clusters. A nitrogen-vacancy-center spin sensor near a diamond surface, provided that the coherence time is improved by surface engineering in the near future, may be employed to determine with angstrom resolution the positions and conformation of single molecules that are isotope labeled. The scheme in this work offers an approach to breaking the resolution limit set by the "frequency gradients" in conventional MRI and to reaching the angstrom-scale resolution.

A statistical study of EMIC waves observed by Cluster: 2. Associated plasma conditions

DOE PAGES

Allen, R. C.; Zhang, J. -C.; Kistler, L. M.; ...

2016-07-01

This is the second in a pair of papers discussing a statistical study of electromagnetic ion cyclotron (EMIC) waves detected during 10 years (2001–2010) of Cluster observations. In the first paper, an analysis of EMIC wave properties (i.e., wave power, polarization, normal angle, and wave propagation angle) is presented in both the magnetic latitude (MLAT)-distance as well as magnetic local time (MLT)-L frames. In addition, this paper focuses on the distribution of EMIC wave-associated plasma conditions as well as two EMIC wave generation proxies (the electron plasma frequency to gyrofrequency ratio proxy and the linear theory proxy) in these samemore » frames. Based on the distributions of hot H + anisotropy, electron and hot H+ density measurements, hot H + parallel plasma beta, and the calculated wave generation proxies, three source regions of EMIC waves appear to exist: (1) the well-known overlap between cold plasmaspheric or plume populations with hot anisotropic ring current populations in the postnoon to dusk MLT region; (2) regions all along the dayside magnetosphere at high L shells related to dayside magnetospheric compression and drift shell splitting; and (3) off-equator regions possibly associated with the Shabansky orbits in the dayside magnetosphere.« less

A statistical study of EMIC waves observed by Cluster: 2. Associated plasma conditions

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

Allen, R. C.; Zhang, J. -C.; Kistler, L. M.

This is the second in a pair of papers discussing a statistical study of electromagnetic ion cyclotron (EMIC) waves detected during 10 years (2001–2010) of Cluster observations. In the first paper, an analysis of EMIC wave properties (i.e., wave power, polarization, normal angle, and wave propagation angle) is presented in both the magnetic latitude (MLAT)-distance as well as magnetic local time (MLT)-L frames. In addition, this paper focuses on the distribution of EMIC wave-associated plasma conditions as well as two EMIC wave generation proxies (the electron plasma frequency to gyrofrequency ratio proxy and the linear theory proxy) in these samemore » frames. Based on the distributions of hot H + anisotropy, electron and hot H+ density measurements, hot H + parallel plasma beta, and the calculated wave generation proxies, three source regions of EMIC waves appear to exist: (1) the well-known overlap between cold plasmaspheric or plume populations with hot anisotropic ring current populations in the postnoon to dusk MLT region; (2) regions all along the dayside magnetosphere at high L shells related to dayside magnetospheric compression and drift shell splitting; and (3) off-equator regions possibly associated with the Shabansky orbits in the dayside magnetosphere.« less

Frequency sweep rates of rising tone electromagnetic ion cyclotron waves: Comparison between nonlinear theory and Cluster observation

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

He, Zhaoguo; University of Chinese Academy of Sciences, Beijing 100049; Zong, Qiugang, E-mail: qgzong@gmail.com

2014-12-15

Resonant pitch angle scattering by electromagnetic ion cyclotron (EMIC) waves has been suggested to account for the rapid loss of ring current ions and radiation belt electrons. For the rising tone EMIC wave (classified as triggered EMIC emission), its frequency sweep rate strongly affects the efficiency of pitch-angle scattering. Based on the Cluster observations, we analyze three typical cases of rising tone EMIC waves. Two cases locate at the nightside (22.3 and 22.6 magnetic local time (MLT)) equatorial region and one case locates at the duskside (18MLT) higher magnetic latitude (λ = –9.3°) region. For the three cases, the time-dependent wave amplitude,more » cold electron density, and cold ion density ratio are derived from satellite data; while the ambient magnetic field, thermal proton perpendicular temperature, and the wave spectral can be directly provided by observation. These parameters are input into the nonlinear wave growth model to simulate the time-frequency evolutions of the rising tones. The simulated results show good agreements with the observations of the rising tones, providing further support for the previous finding that the rising tone EMIC wave is excited through the nonlinear wave growth process.« less

Theory of scattering of electromagnetic waves of the microwave range in a turbid medium

NASA Astrophysics Data System (ADS)

Konstantinov, O. V.; Matveentsev, A. V.

2013-02-01

The coefficient of extinction of electromagnetic waves of the microwave range due to their scattering from clusters suspended in an amorphous medium and responsible for turbidity is calculated. Turbidity resembles the case when butter clusters transform water into milk. In the case under investigation, the clusters are conductors (metallic or semiconducting). The extinction coefficient is connected in a familiar way with the cross section of light scattering from an individual cluster. A new formula is derived for the light scattering cross section in the case when damping of oscillations of an electron is due only to spontaneous emission of light quanta. In this case, the resonant scattering cross section for light can be very large. It is shown that this can be observed only in a whisker nanocluster. In addition, the phonon energy on a whisker segment must be higher than the photon energy, which is close to the spacing between the electron energy levels in the cluster.

The Auroral Field-aligned Acceleration - Cluster Results

NASA Astrophysics Data System (ADS)

Vaivads, A.; Cluster Auroral Team

The four Cluster satellites cross the auroral field lines at altitudes well above most of acceleration region. Thus, the orbit is appropriate for studies of the generator side of this region. We consider the energy transport towards the acceleration region and different mechanisms for generating the potential drop. Using data from Cluster we can also for the first time study the dynamics of the generator on a minute scale. We present data from a few auroral field crossings where Cluster are in conjunction with DMSP satellites. We use electric and magnetic field data to estimate electrostatic po- tential along the satellite orbit, Poynting flux as well as the presence of plasma waves. These we can compare with data from particle and wave instruments on Cluster and on low latitude satellites to try to make a consistent picture of the acceleration region formation in these cases. Preliminary results show close agreement both between in- tegrated potential values at Cluster and electron peak energies at DMSP as well as close agreement between the integrated Poynting flux values at Cluster and the elec- tron energy flux at DMSP. At the end we draw a parallels between auroral electron acceleration and electron acceleration at the magnetopause.

ULF Narrowband Emissions Analysis in the Terrestrial Polar Cusps

NASA Astrophysics Data System (ADS)

Grison, B.; Pisa, D.

2013-05-01

Polar cusps are known to be a key region for transfer of mass and momentum between the adjacent magnetosheath and the magnetosphere. The 4 spacecraft of the Cluster ESA mission crossed the polar cusps in their most distant part to the Earth in the early years of the mission (2000-2004) because of their highly eccentric orbit. The ULF wave activity in the cusp region has been linked with the magnetosheath plasma penetration since HEOS observations (D'Angelo et al., 1974). Wave and particle interaction play an important role in this colisionless plasma. The observed wave activity certainly results from both distant and local generation mechanisms. From Cluster case studies we propose to focus on one aspect for each of this place of generation. Concerning the distant generation, the possibility of a wave generation at the magnetopause itself is investigated. For this purpose we compare the propagation of the emissions on each side of the magnetopasue, i.e. in the cusp and in the magnetosheath. Concerning the local generation, the presence of locally generated waves above the local proton gyrofrequency that display a left hand polarization has been reported in Polar and Cluster studies (Le et al., 2001; Nykyri et al., 2003 ). The Doppler shift was not large enough to explain the observed frequency. We propose here to combine various techniques (k-filtering analysis, WHAMP simulations) to achieve a precise wave vector estimation and to explain these observations. References: D'Angelo, N., A. Bahnsen, and H. Rosenbauer (1974), Wave and particle measurements at the polar cusp, J. Geophys. Res., 79( 22), 3129-3134, doi:10.1029/JA079i022p03129. Le, G., X. Blanco-Cano, C. T. Russell, X.-W. Zhou, F. Mozer, K. J. Trattner, S. A. Fuselier, and B. J. Anderson (2001), Electromagnetic ion cyclotron waves in the high-altitude cusp: Polar observations, J. Geophys. Res., 106(A9), 19067-19079, doi:10.1029/2000JA900163. Nykyri, K., P. J. Cargill, E. A. Lucek, T. S. Horbury, A. Balogh, B. Lavraud, I. Dandouras, and H. Rème, Ion cyclotron waves in the high altitude cusp: CLUSTER observations at varying spacecraft separations, Geophys. Res. Lett., 30(24), 2263, doi:10.1029/2003GL018594, 2003.

'Ivory wave' toxicity in recreational drug users; integration of clinical and poisons information services to manage legal high poisoning.

PubMed

Murray, Douglas B; Potts, Stephen; Haxton, Carole; Jackson, Gillian; Sandilands, Euan A; Ramsey, John; Puchnarewicz, Malgorzata; Holt, David W; Johnston, Atholl; Nicholas Bateman, D; Dear, James W

2012-02-01

Novel psychoactive substances or 'legal highs' can be defined as psychoactive substances that have been developed to avoid existing drug control measures. Consistency of name, but with change in the content of the product, may cause harm. This could result in clusters of users being poisoned and developing unexpected physical and psychiatric symptoms. We describe such an event and the clinical phenotypes of a cluster of patients poisoned with a novel psychoactive substance in 'ivory wave' and analyze data from the National Poisons Information Service (NPIS) to estimate use across the United Kingdom. In addition, the likely active ingredient in this cluster of 'ivory wave' poisonings was identified. An analysis of consecutive patients attending the Royal Infirmary of Edinburgh emergency department in July and August 2010 with self-reported 'ivory wave' use was performed. Over a similar time frame, poisons enquiries regarding 'ivory wave' to the UK NPIS, by telephone and via the internet-based TOXBASE(®) poisons database ( www.toxbase.org ), were analyzed. A sample of 'ivory wave' powder and biological fluids from poisoned patients were investigated to determine the active ingredient. Thirty four emergency attendances due to 'ivory wave' toxicity were identified. The mean +/- SD (range) age was 28.6 +/- 7.8 (16-44) years. Patients demonstrated a toxidrome which lasted several days, characterized by tachycardia (65%), tachypnoea (76%), dystonia (18%), rhabdomyolysis (96%), leucocytosis (57%), agitation (62%), hallucinations (50%), insomnia (32%) and paranoia (21%). Enquiries to NPIS suggest that 'ivory wave' poisoning occurred throughout the United Kingdom. A sample of 'ivory wave' powder was analyzed and found to contain desoxypipradrol, which was also identified in biological fluids from 4 out of 5 patients tested. A cluster of cases presenting after use of a novel psychoactive substance was identified in Edinburgh and desoxypipradrol was identified as the likely cause. It was associated with prolonged psychiatric symptoms as a key feature. This chemical was regulated in response to the wider UK outbreak, which NPIS data suggest was geographically widespread but probably short lived. Novel psychoactive substances can produce significant toxicity and data from poisons centres may be used to indirectly detect new 'legal highs' that are causing clinical toxicity.

Massive and refined: A sample of large galaxy clusters simulated at high resolution. I: Thermal gas and properties of shock waves

NASA Astrophysics Data System (ADS)

Vazza, F.; Brunetti, G.; Gheller, C.; Brunino, R.

2010-11-01

We present a sample of 20 massive galaxy clusters with total virial masses in the range of 6 × 10 14 M ⊙ ⩽ Mvir ⩽ 2 × 10 15 M ⊙, re-simulated with a customized version of the 1.5. ENZO code employing adaptive mesh refinement. This technique allowed us to obtain unprecedented high spatial resolution (≈25 kpc/h) up to the distance of ˜3 virial radii from the clusters center, and makes it possible to focus with the same level of detail on the physical properties of the innermost and of the outermost cluster regions, providing new clues on the role of shock waves and turbulent motions in the ICM, across a wide range of scales. In this paper, a first exploratory study of this data set is presented. We report on the thermal properties of galaxy clusters at z = 0. Integrated and morphological properties of gas density, gas temperature, gas entropy and baryon fraction distributions are discussed, and compared with existing outcomes both from the observational and from the numerical literature. Our cluster sample shows an overall good consistency with the results obtained adopting other numerical techniques (e.g. Smoothed Particles Hydrodynamics), yet it provides a more accurate representation of the accretion patterns far outside the cluster cores. We also reconstruct the properties of shock waves within the sample by means of a velocity-based approach, and we study Mach numbers and energy distributions for the various dynamical states in clusters, giving estimates for the injection of Cosmic Rays particles at shocks. The present sample is rather unique in the panorama of cosmological simulations of massive galaxy clusters, due to its dynamical range, statistics of objects and number of time outputs. For this reason, we deploy a public repository of the available data, accessible via web portal at http://data.cineca.it.

Computational helioseismology in the frequency domain: acoustic waves in axisymmetric solar models with flows

NASA Astrophysics Data System (ADS)

Gizon, Laurent; Barucq, Hélène; Duruflé, Marc; Hanson, Chris S.; Leguèbe, Michael; Birch, Aaron C.; Chabassier, Juliette; Fournier, Damien; Hohage, Thorsten; Papini, Emanuele

2017-04-01

Context. Local helioseismology has so far relied on semi-analytical methods to compute the spatial sensitivity of wave travel times to perturbations in the solar interior. These methods are cumbersome and lack flexibility. Aims: Here we propose a convenient framework for numerically solving the forward problem of time-distance helioseismology in the frequency domain. The fundamental quantity to be computed is the cross-covariance of the seismic wavefield. Methods: We choose sources of wave excitation that enable us to relate the cross-covariance of the oscillations to the Green's function in a straightforward manner. We illustrate the method by considering the 3D acoustic wave equation in an axisymmetric reference solar model, ignoring the effects of gravity on the waves. The symmetry of the background model around the rotation axis implies that the Green's function can be written as a sum of longitudinal Fourier modes, leading to a set of independent 2D problems. We use a high-order finite-element method to solve the 2D wave equation in frequency space. The computation is embarrassingly parallel, with each frequency and each azimuthal order solved independently on a computer cluster. Results: We compute travel-time sensitivity kernels in spherical geometry for flows, sound speed, and density perturbations under the first Born approximation. Convergence tests show that travel times can be computed with a numerical precision better than one millisecond, as required by the most precise travel-time measurements. Conclusions: The method presented here is computationally efficient and will be used to interpret travel-time measurements in order to infer, e.g., the large-scale meridional flow in the solar convection zone. It allows the implementation of (full-waveform) iterative inversions, whereby the axisymmetric background model is updated at each iteration.

Search For Star Cluster Age Gradients Across Spiral Arms of Three LEGUS Disk Galaxies

NASA Astrophysics Data System (ADS)

Shabani, F.; Grebel, E. K.; Pasquali, A.; D'Onghia, E.; Gallagher, J. S.; Adamo, A.; Messa, M.; Elmegreen, B. G.; Dobbs, C.; Gouliermis, D. A.; Calzetti, D.; Grasha, K.; Elmegreen, D. M.; Cignoni, M.; Dale, D. A.; Aloisi, A.; Smith, L. J.; Tosi, M.; Thilker, D. A.; Lee, J. C.; Sabbi, E.; Kim, H.; Pellerin, A.

2018-05-01

One of the main theories for explaining the formation of spiral arms in galaxies is the stationary density wave theory. This theory predicts the existence of an age gradient across the arms. We use the stellar cluster catalogues of the galaxies NGC 1566, M51a, and NGC 628 from the Legacy Extragalactic UV Survey (LEGUS) program. In order to test for the possible existence of an age sequence across the spiral arms, we quantified the azimuthal offset between star clusters of different ages in our target galaxies. We found that NGC 1566, a grand-design spiral galaxy with bisymmetric arms and a strong bar, shows a significant age gradient across the spiral arms that appears to be consistent with the prediction of the stationary density wave theory. In contrast, M51a with its two well-defined spiral arms and a weaker bar does not show an age gradient across the arms. In addition, a comparison with non-LEGUS star cluster catalogues for M51a yields similar results. We believe that the spiral structure of M51a is not the result of a stationary density wave with a fixed pattern speed. Instead, tidal interactions could be the dominant mechanism for the formation of spiral arms. We also found no offset in the azimuthal distribution of star clusters with different ages across the weak spiral arms of NGC 628.

ULF waves and plasma stability in different regions of the magnetosheath

NASA Astrophysics Data System (ADS)

Soucek, Jan; Escoubet, C. Philippe; Grison, Benjamin

2016-04-01

We present a statistical study of the occurrence and properties of ultra low frequency waves in the magnetosheath and interpret the results in terms of the competition of mirror and Alfvén-ion-cyclotron (AIC) instabilities. Both mirror and AIC waves are generated in high beta plasma of the magnetosheath when ion temperature anisotropy exceeds the threshold of the respective instabilities. These waves are frequently observed in the terrestrial and planetary magnetosheaths, but their distribution within the magnetosheath is inhomogeneous and their character varies as a function of location, local and upstream plasma parameters. We studied the spatial distribution of the two wave modes in the magnetosheath together with the local plasma parameters important for the stability of ULF waves. This analysis was performed on a dataset of all magnetosheath crossings observed by Cluster spacecraft over two years. For each observation we used bow shock, magnetopause and magnetosheath flow models to identify the relative position of the spacecraft with respect to magnetosheath boundaries and local properties of the upstream shock crossing. A strong dependence of parameters characterizing plasma stability and mirror/AIC wave occurrence on upstream ΘBn and MA is identified. The occurrence of mirror and AIC modes was compared against the respective instability thresholds and it was observed that AIC waves occurred nearly exclusively under mirror stable conditions. This is interpreted in terms of the different character of non-linear saturation of the two modes.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

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

Wahlen-Strothman, J. M.; Henderson, T. H.; Hermes, M. R.

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories.more » We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.« less

Spacecraft Observations of a ULF Wave Injected Onto Field Lines by SPEAR

NASA Astrophysics Data System (ADS)

Badman, S. V.; Wright, D. M.; Yeoman, T. K.; Clausen, L. B.; Fear, R. C.; Fazakerley, A. N.; Lucek, E. A.

2008-12-01

SPEAR (Space Exploration by Active Radar) is an ionospheric heating facility situated on Svalbard which is capable of exciting ULF waves on local magnetic field lines. Field-guided ULF waves can interact with the ionospheric Alfvén resonator (IAR) and produce parallel electric fields, which then accelerate electrons along the field line. Detection and study of these waves thus provides information on the properties of the IAR and auroral acceleration processes. We examine an interval from 1 February 2006 when SPEAR was transmitting with a 5 min on-off cycle. During this interval the Cluster spacecraft passed over the heater site. We discuss signatures of the SPEAR-generated wave identified in the Cluster field and electron measurements. One feature of interest is the periodic enhancement of electron fluxes in two broad energy bands (~10-100 eV and ~100-1000 eV) which occur out of phase with each other in the two different energy bands.

Requirement of the basic region of N-WASP/WAVE2 for actin-based motility.

PubMed

Suetsugu, S; Miki, H; Yamaguchi, H; Takenawa, T

2001-04-06

WASP family proteins activate nucleation by the Arp2/3 complex, inducing rapid actin polymerization in vitro. Although the C-terminal portion of WASP family proteins (VCA) activates nucleation by the Arp2/3 complex in pure systems, we find that this fragment lacks activity in cell extracts. Thus, polystyrene beads coated with VCA did not move in brain cytosol, while beads coated with N-WASP or WAVE2 did move. The basic clusters between the WH1 domain and the CRIB domain of N-WASP were critical for movement since beads coated with N-WASP or WAVE2 constructs missing the basic clusters (Delta basic) also did not move. Furthermore, VCA and N-WASP/WAVE2 Delta basic constructs were much less able than wild-type N-WASP and WAVE2 to induce actin polymerization in cytosol. All of the proteins, with or without the basic domain, were potent activators of nucleation by purified Arp2/3 complex. Copyright 2001 Academic Press.

Small-area spatiotemporal analysis of heatwave impacts on elderly mortality in Paris: A cluster analysis approach.

PubMed

Benmarhnia, Tarik; Kihal-Talantikite, Wahida; Ragettli, Martina S; Deguen, Séverine

2017-08-15

Heat-waves have a substantial public health burden. Understanding spatial heterogeneity at a fine spatial scale in relation to heat and related mortality is central to target interventions towards vulnerable communities. To determine the spatial variability of heat-wave-related mortality risk among elderly in Paris, France at the census block level. We also aimed to assess area-level social and environmental determinants of high mortality risk within Paris. We used daily mortality data from 2004 to 2009 among people aged >65 at the French census block level within Paris. We used two heat wave days' definitions that were compared to non-heat wave days. A Bernoulli cluster analysis method was applied to identify high risk clusters of mortality during heat waves. We performed random effects meta-regression analyses to investigate factors associated with the magnitude of the mortality risk. The spatial approach revealed a spatial aggregation of death cases during heat wave days. We found that small scale chronic PM 10 exposure was associated with a 0.02 (95% CI: 0.001; 0.045) increase of the risk of dying during a heat wave episode. We also found a positive association with the percentage of foreigners and the percentage of labor force, while the proportion of elderly people living in the neighborhood was negatively associated. We also found that green space density had a protective effect and inversely that the density of constructed feature increased the risk of dying during a heat wave episode. We showed that a spatial variation in terms of heat-related vulnerability exists within Paris and that it can be explained by some contextual factors. This study can be useful for designing interventions targeting more vulnerable areas and reduce the burden of heat waves. Copyright © 2017 Elsevier B.V. All rights reserved.

Fully microscopic analysis of laser-driven finite plasmas using the example of clusters

NASA Astrophysics Data System (ADS)

Peltz, Christian; Varin, Charles; Brabec, Thomas; Fennel, Thomas

2012-06-01

We discuss a microscopic particle-in-cell (MicPIC) approach that allows bridging of the microscopic and macroscopic realms of laser-driven plasma physics. The simultaneous resolution of collisions and electromagnetic field propagation in MicPIC enables the investigation of processes that have been inaccessible to rigorous numerical scrutiny so far. This is illustrated by the two main findings of our analysis of pre-ionized, resonantly laser-driven clusters, which can be realized experimentally in pump-probe experiments. In the linear response regime, MicPIC data are used to extract the individual microscopic contributions to the dielectric cluster response function, such as surface and bulk collision frequencies. We demonstrate that the competition between surface collisions and radiation damping is responsible for the maximum in the size-dependent lifetime of the Mie surface plasmon. The capacity to determine the microscopic underpinning of optical material parameters opens new avenues for modeling nano-plasmonics and nano-photonics systems. In the non-perturbative regime, we analyze the formation and evolution of recollision-induced plasma waves in laser-driven clusters. The resulting dynamics of the electron density and local field hot spots opens a new research direction for the field of attosecond science.

The Influence of Social Network Characteristics on Peer Clustering in Smoking: A Two-Wave Panel Study of 19- and 23-Year-Old Swedes.

PubMed

Miething, Alexander; Rostila, Mikael; Edling, Christofer; Rydgren, Jens

2016-01-01

The present study examines how the composition of social networks and perceived relationship content influence peer clustering in smoking, and how the association changes during the transition from late adolescence to early adulthood. The analysis was based on a Swedish two-wave survey sample comprising ego-centric network data. Respondents were 19 years old in the initial wave, and 23 when the follow-up sample was conducted. 17,227 ego-alter dyads were included in the analyses, which corresponds to an average response rate of 48.7 percent. Random effects logistic regression models were performed to calculate gender-specific average marginal effects of social network characteristics on smoking. The association of egos' and alters' smoking behavior was confirmed and found to be stronger when correlated in the female sample. For females, the associations decreased between age 19 and 23. Interactions between network characteristics and peer clustering in smoking showed that intense social interactions with smokers increase egos' smoking probability. The influence of network structures on peer clustering in smoking decreased during the transition from late adolescence to early adulthood. The study confirmed peer clustering in smoking and revealed that females' smoking behavior in particular is determined by social interactions. Female smokers' propensity to interact with other smokers was found to be associated with the quality of peer relationships, frequent social interactions, and network density. The influence of social networks on peer clustering in smoking decreased during the transition from late adolescence to early adulthood.

The Influence of Social Network Characteristics on Peer Clustering in Smoking: A Two-Wave Panel Study of 19- and 23-Year-Old Swedes

PubMed Central

Rostila, Mikael; Edling, Christofer; Rydgren, Jens

2016-01-01

Objectives The present study examines how the composition of social networks and perceived relationship content influence peer clustering in smoking, and how the association changes during the transition from late adolescence to early adulthood. Methods The analysis was based on a Swedish two-wave survey sample comprising ego-centric network data. Respondents were 19 years old in the initial wave, and 23 when the follow-up sample was conducted. 17,227 ego-alter dyads were included in the analyses, which corresponds to an average response rate of 48.7 percent. Random effects logistic regression models were performed to calculate gender-specific average marginal effects of social network characteristics on smoking. Results The association of egos’ and alters’ smoking behavior was confirmed and found to be stronger when correlated in the female sample. For females, the associations decreased between age 19 and 23. Interactions between network characteristics and peer clustering in smoking showed that intense social interactions with smokers increase egos’ smoking probability. The influence of network structures on peer clustering in smoking decreased during the transition from late adolescence to early adulthood. Conclusions The study confirmed peer clustering in smoking and revealed that females’ smoking behavior in particular is determined by social interactions. Female smokers’ propensity to interact with other smokers was found to be associated with the quality of peer relationships, frequent social interactions, and network density. The influence of social networks on peer clustering in smoking decreased during the transition from late adolescence to early adulthood. PMID:27727314

Preparing transition-metal clusters in known structural forms: the mass-analyzed threshold ionization spectrum of V3.

PubMed

Ford, Mark S; Mackenzie, Stuart R

2005-08-22

The first results are presented of a new experiment designed both to generate and characterize spectroscopically individual isomers of transition-metal cluster cations. As a proof of concept the one-photon mass-analyzed threshold ionization (MATI) spectrum of V3 has been recorded in the region of 44,000-45,000 cm-1. This study extends the range of a previous zero-kinetic-energy (ZEKE) photoelectron study of Yang et al. [Chem. Phys. Lett. 231, 177 (1994)] with which the current results are compared. The MATI spectra reported here exhibit surprisingly high resolution (0.2 cm-1) for this technique despite the use of large discrimination and extraction fields. Analysis of the rotational profile of the origin band allows assignment of the V3 ground state as and the V3+ ground state as , both with D3h geometry, in agreement with the density-functional theory study of the V3 ZEKE spectrum by Calaminici et al. [J. Chem. Phys. 114, 4036 (2001)]. There is also some evidence in the spectrum of transitions to the low-lying excited state of the ion. The vibrational structure observed in the MATI spectrum is, however, significantly different to and less extensive than that predicted in the density-functional theory study. Possible reasons for the discrepancies are discussed and an alternative assignment is proposed which results in revised values for the vibrational wave numbers of both the neutral and ionic states. These studies demonstrate the efficient generation of cluster ions in known structural (isomeric) forms and pave the way for the study of cluster reactivity as a function of geometrical structure.

Electronic Transport Behaviors due to Charge Density Waves in Ni-Nb-Zr-H Glassy Alloys

NASA Astrophysics Data System (ADS)

Fukuhara, Mikio; Umemori, Yoshimasa

2013-11-01

The amorphous Ni-Nb-Zr-H glassy alloy containing subnanometer-sized icosahedral Zr5 Nb5Ni3 clusters exhibited four types of electronic phenomena: a metal/insulator transition, an electric current-induced voltage oscillation (Coulomb oscillation), giant capacitor behavior and an electron avalanche with superior resistivity. These findings could be excluded by charge density waves that the low-dimensional component of clusters, in which the atoms are lined up in chains along the [130] direction, plays important roles in various electron transport phenomena.

Studies of earthquakes stress drops, seismic scattering, and dynamic triggering in North America

NASA Astrophysics Data System (ADS)

Escudero Ayala, Christian Rene

I use the Relative Source Time Function (RSTF) method to determine the source properties of earthquakes within southeastern Alaska-northwestern Canada in a first part of the project, and earthquakes within the Denali fault in a second part. I deconvolve a small event P-arrival signal from a larger event by the following method: select arrivals with a tapered cosine window, fast fourier transform to obtain the spectrum, apply water level deconvolution technique, and bandpass filter before inverse transforming the result to obtain the RSTF. I compare the source processes of earthquakes within the area to determine stress drop differences to determine their relation with the tectonic setting of the earthquakes location. Results show an consistency with previous results, stress drop independent of moment implying self-similarity, correlation of stress drop with tectonic regime, stress drop independent of depth, stress drop depends of focal mechanism where strike-slip present larger stress drops, and decreasing stress drop as function of time. I determine seismic wave attenuation in the central western United States using coda waves. I select approximately 40 moderate earthquakes (magnitude between 5.5 and 6.5) located alocated along the California-Baja California, California-Nevada, Eastern Idaho, Gulf of California, Hebgen Lake, Montana, Nevada, New Mexico, off coast of Northern California, off coast of Oregon, southern California, southern Illinois, Vancouver Island, Washington, and Wyoming regions. These events were recorded by the EarthScope transportable array (TA) network from 2005 to 2009. We obtain the data from the Incorporated Research Institutions for Seismology (IRIS). In this study we implement a method based on the assumption that coda waves are single backscattered waves from randomly distributed heterogeneities to calculate the coda Q. The frequencies studied lie between 1 and 15 Hz. The scattering attenuation is calculated for frequency bands centered at 1.5, 3, 5, 7.5, 10.5, and 13.5 Hz. Coda Q present a great correlation with tectonic and geology setting, as well as the crustal thickness. I analyze global and Middle American Subduction Zone (MASZ) seismicity from 1998 to 2008 to quantify the transient stresses effects at teleseismic distances. I use the Bulletin of the International Seismological Centre Catalog (ISCCD) published by the Incorporated Research Institutions for Seismology (IRIS). To identify MASZ seismicity changes due to distant, large (Mw ¿ 7) earthquakes, I first identify local earthquakes that occurred before and after the mainshocks. I then group the local earthquakes within a cluster radius between 75 to 200 km. I obtain statistics based on characteristics of both mainshocks and local earthquakes clusters, such as cluster-mainshock azimuth, mainshock focal mechanism, and local earthquakes clusters within the MASZ. Based on the lateral variations of the dip along the subducted oceanic plate, I divide the Mexican subduction zone into four segments. I then apply the Paired Samples Statistical Test (PSST) to the sorted data to identify increment, decrement or either in the local seismicity associated with distant large earthquakes passage of surface waves. I identify dynamic triggering for all MASZ segments produced by large earthquakes emerging from specific azimuths, as well as, a decrease for some cases. I find no dependence of seismicity changes on mainshock focal mechanism.

3D radiation belt diffusion model results using new empirical models of whistler chorus and hiss

NASA Astrophysics Data System (ADS)

Cunningham, G.; Chen, Y.; Henderson, M. G.; Reeves, G. D.; Tu, W.

2012-12-01

3D diffusion codes model the energization, radial transport, and pitch angle scattering due to wave-particle interactions. Diffusion codes are powerful but are limited by the lack of knowledge of the spatial & temporal distribution of waves that drive the interactions for a specific event. We present results from the 3D DREAM model using diffusion coefficients driven by new, activity-dependent, statistical models of chorus and hiss waves. Most 3D codes parameterize the diffusion coefficients or wave amplitudes as functions of magnetic activity indices like Kp, AE, or Dst. These functional representations produce the average value of the wave intensities for a given level of magnetic activity; however, the variability of the wave population at a given activity level is lost with such a representation. Our 3D code makes use of the full sample distributions contained in a set of empirical wave databases (one database for each wave type, including plasmaspheric hiss, lower and upper hand chorus) that were recently produced by our team using CRRES and THEMIS observations. The wave databases store the full probability distribution of observed wave intensity binned by AE, MLT, MLAT and L*. In this presentation, we show results that make use of the wave intensity sample probability distributions for lower-band and upper-band chorus by sampling the distributions stochastically during a representative CRRES-era storm. The sampling of the wave intensity probability distributions produces a collection of possible evolutions of the phase space density, which quantifies the uncertainty in the model predictions caused by the uncertainty of the chorus wave amplitudes for a specific event. A significant issue is the determination of an appropriate model for the spatio-temporal correlations of the wave intensities, since the diffusion coefficients are computed as spatio-temporal averages of the waves over MLT, MLAT and L*. The spatiotemporal correlations cannot be inferred from the wave databases. In this study we use a temporal correlation of ~1 hour for the sampled wave intensities that is informed by the observed autocorrelation in the AE index, a spatial correlation length of ~100 km in the two directions perpendicular to the magnetic field, and a spatial correlation length of 5000 km in the direction parallel to the magnetic field, according to the work of Santolik et al (2003), who used multi-spacecraft measurements from Cluster to quantify the correlation length scales for equatorial chorus . We find that, despite the small correlation length scale for chorus, there remains significant variability in the model outcomes driven by variability in the chorus wave intensities.

Global Simulation of Electromagnetic Ion Cyclotron Waves

NASA Technical Reports Server (NTRS)

Khazanov, George V.; Gallagher, D. L.; Kozyra, J. U.

2007-01-01

It is very well known that the effects of electromagnetic ion cyclotron (EMIC) waves on ring current (RC) ion and radiation belt (RB) electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. The consequence is that accurate modeling of EMIC waves and RC particles requires robust inclusion of the interdependent dynamics of wave growth/damping, wave propagation, and particles. Such a self-consistent model is being progressively developed by Khazanov et al. This model is based on a system of coupled kinetic equations for the RC and EMIC wave power spectral density along with the ray tracing equations. We will discuss the recent progress in understanding EMIC waves formation mechanisms in the inner magnetosphere. This problem remains unsettled in spite of many years of experimental and theoretical studies. Modern satellite observations by CRRES, Polar and Cluster still do not reveal the whole picture experimentally since they do not stay long enough in the generation region to give a full account of all the spatio-temporal structure of EMIC waves. The complete self-consistent theory taking into account all factors significant for EMIC waves generation remains to be developed. Several mechanisms are discussed with respect to formation of EMIC waves, among them are nonlinear modification of the ionospheric reflection by precipitating energetic protons, modulation of ion-cyclotron instability by long-period (Pc3/4) pulsations, reflection of waves from layers of heavy-ion gyroresonances, and nonlinearities of wave generation process. We show that each of these mechanisms have their attractive features and explains certain part experimental data but any of them, if taken alone, meets some difficulties when compared to observations. We conclude that development of a refined nonlinear theory and further correlated analysis of modern satellite and ground-based data is needed to solve this very intriguing problem.

Global Simulation of Electromagnetic Ion Cyclotron Waves

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K.; Gallagher, D. L.; Kozyra, J. U.

2007-01-01

It is well known that the effects of electromagnetic ion cyclotron (EMIC) waves on ring current (RC) ion and radiation belt (RB) electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. The consequence is that accurate modeling of EMIC waves and RC particles requires robust inclusion of the interdependent dynamics of wave growth/damping, wave propagation, and particles. Such a self-consistent model is being progressively developed by Khazanov et al. [2002 - 2007]. This model is based on a system of coupled kinetic equations for the RC and EMIC wave power spectral density along with the ray tracing equations. We will discuss the recent progress in understanding EMIC waves formation mechanisms in the inner magnetosphere. This problem remains unsettled in spite of many years of experimental and theoretical studies. Modern satellite observations by CRRES, Polar and Cluster still do not reveal the whole picture experimentally since they do not stay long enough in the generation region to give a full account of all the spatio-temporal structure of EMIC waves. The complete self-consistent theory taking into account all factors significant for EMIC waves generation remains to be developed. Several mechanisms are discussed with respect to formation of EMIC waves, among them are nonlinear modification of the ionospheric reflection by precipitating energetic protons, modulation of ion-cyclotron instability by long-period (Pc3/4) pulsations, reflection of waves from layers of heavy-ion gyroresonances, and nonlinearities of wave generation process. We show that each of these mechanisms have their attractive features and explains certain part experimental data but any of them, if taken alone, meets some difficulties when compared to observations. We conclude that development of a refined nonlinear theory and further correlated analysis of modern satellite and ground-based data is needed to solve this very intriguing problem.

Do Uric Acid Deposits in Zooxanthellae Function as Eye-Spots?

PubMed Central

Yamashita, Hiroshi; Kobiyama, Atsushi; Koike, Kazuhiko

2009-01-01

The symbiosis between zooxanthellae (dinoflagellate genus Symbiodinium) and corals is a fundamental basis of tropical marine ecosystems. However the physiological interactions of the hosts and symbionts are poorly understood. Recently, intracellular crystalline deposits in Symbiodinium were revealed to be uric acid functioning for nutrient storage. This is the first exploration of these enigmatic crystalline materials that had previously been misidentified as oxalic acid, providing new insights into the nutritional strategies of Symbiodinium in oligotrophic tropical waters. However, we believe these deposits also function as eye-spots on the basis of light and electron microscopic observations of motile cells of cultured Symbiodinium. The cells possessed crystalline deposit clusters in rows with each row 100–150 nm thick corresponding to 1/4 the wavelength of light and making them suitable for maximum wave interference and reflection of light. Crystalline clusters in cells observed with a light microscope strongly refracted and polarized light, and reflected or absorbed short wavelength light. The facts that purines, including uric acid, have been identified as the main constituents of light reflectors in many organisms, and that the photoreceptor protein, opsin, was detected in our Symbiodinium strain, support the idea that uric acid deposits in Symbiodinium motile cells may function as a component of an eye-spot. PMID:19609449

Do uric acid deposits in zooxanthellae function as eye-spots?

PubMed

Yamashita, Hiroshi; Kobiyama, Atsushi; Koike, Kazuhiko

2009-07-17

The symbiosis between zooxanthellae (dinoflagellate genus Symbiodinium) and corals is a fundamental basis of tropical marine ecosystems. However the physiological interactions of the hosts and symbionts are poorly understood. Recently, intracellular crystalline deposits in Symbiodinium were revealed to be uric acid functioning for nutrient storage. This is the first exploration of these enigmatic crystalline materials that had previously been misidentified as oxalic acid, providing new insights into the nutritional strategies of Symbiodinium in oligotrophic tropical waters. However, we believe these deposits also function as eye-spots on the basis of light and electron microscopic observations of motile cells of cultured Symbiodinium. The cells possessed crystalline deposit clusters in rows with each row 100-150 nm thick corresponding to 1/4 the wavelength of light and making them suitable for maximum wave interference and reflection of light. Crystalline clusters in cells observed with a light microscope strongly refracted and polarized light, and reflected or absorbed short wavelength light. The facts that purines, including uric acid, have been identified as the main constituents of light reflectors in many organisms, and that the photoreceptor protein, opsin, was detected in our Symbiodinium strain, support the idea that uric acid deposits in Symbiodinium motile cells may function as a component of an eye-spot.

Whistlers observed outside the plasmasphere: Correlation to plasmaspheric/plasmapause features

NASA Astrophysics Data System (ADS)

Adrian, M. L.; Fung, S. F.; Gallagher, D. L.; Green, J. L.

2015-09-01

Whistlers observed outside the plasmasphere by Cluster have been correlated with the global plasmasphere using Imager for Magnetopause-to-Aurora Global Exploration-Extreme Ultraviolet Imager (IMAGE-EUV) observations. Of the 12 Cluster-observed whistler events reported, EUV is able to provide global imaging of the plasmasphere for every event and demonstrates a direct correlation between the detection of lightning-generated whistlers beyond the plasmapause and the presence of a global perturbation of the local plasmapause. Of these 12 correlated events, seven of the Cluster-observed whistlers (or 58%) are associated with the Cluster spacecraft lying radially outward from a plasmaspheric notch. Two of the Cluster-observed whistlers (17%) are associated with the low-density region between the late afternoon plasmapause and the western wall of a plasmaspheric drainage plume. The final three Cluster-observed whistler events (25%) are associated with a nonradial, nonazimuthal depletion in plasmaspheric He+ emission that are termed "notch-like" crenulations. In one of these cases, the notch-like crenulations appear to be manifestations entrained within the plasmasphere boundary layer of a standing wave on the surface of the plasmasphere. The correlated Cluster/IMAGE-EUV observations suggest that the depleted flux tubes that connect the ionosphere to the low-density regions of plasmaspheric trough and inner magnetosphere facilitate the escape of whistler waves from the plasmasphere.

Sound wave generation by a spherically symmetric outburst and AGN feedback in galaxy clusters II: impact of thermal conduction.

NASA Astrophysics Data System (ADS)

Tang, Xiaping; Churazov, Eugene

2018-04-01

We analyze the impact of thermal conduction on the appearance of a shock-heated gas shell which is produced when a spherically symmetric outburst of a supermassive black hole inflates bubbles of relativistic plasma at the center of a galaxy cluster. The presence of the hot and low-density shell can be used as an ancillary indicator for a high rate of energy release during the outburst, which is required to drive strong shocks into the gas. Here we show that conduction can effectively erase such shell, unless the diffusion of electrons is heavily suppressed. We conclude that a more robust proxy to the energy release rate is the ratio between the shock radius and bubble radius. We also revisited the issue of sound waves dissipation induced by thermal conduction in a scenario, where characteristic wavelength of the sound wave is set by the total energy of the outburst. For a fiducial short outburst model, the dissipation length does not exceed the cooling radius in a typical cluster, provided that the conduction is suppressed by a factor not larger than ˜100. For quasi-continuous energy injection neither the shock-heated shell nor the outgoing sound wave are important and the role of conduction is subdominant.

Cluster in the Auroral Acceleration Region

NASA Technical Reports Server (NTRS)

Pickett, Jolene S.; Fazakerley, Andrew N.; Marklund, Gorun; Dandouras, Iannis; Christopher, Ivar W.; Kistler, Lynn; Lucek, Elizabeth; Masson, Arnaud; Taylor, Matthew G.; Mutel, Robert L.;

Statistical Downscaling in Multi-dimensional Wave Climate Forecast

NASA Astrophysics Data System (ADS)

Camus, P.; Méndez, F. J.; Medina, R.; Losada, I. J.; Cofiño, A. S.; Gutiérrez, J. M.

2009-04-01

Wave climate at a particular site is defined by the statistical distribution of sea state parameters, such as significant wave height, mean wave period, mean wave direction, wind velocity, wind direction and storm surge. Nowadays, long-term time series of these parameters are available from reanalysis databases obtained by numerical models. The Self-Organizing Map (SOM) technique is applied to characterize multi-dimensional wave climate, obtaining the relevant "wave types" spanning the historical variability. This technique summarizes multi-dimension of wave climate in terms of a set of clusters projected in low-dimensional lattice with a spatial organization, providing Probability Density Functions (PDFs) on the lattice. On the other hand, wind and storm surge depend on instantaneous local large-scale sea level pressure (SLP) fields while waves depend on the recent history of these fields (say, 1 to 5 days). Thus, these variables are associated with large-scale atmospheric circulation patterns. In this work, a nearest-neighbors analog method is used to predict monthly multi-dimensional wave climate. This method establishes relationships between the large-scale atmospheric circulation patterns from numerical models (SLP fields as predictors) with local wave databases of observations (monthly wave climate SOM PDFs as predictand) to set up statistical models. A wave reanalysis database, developed by Puertos del Estado (Ministerio de Fomento), is considered as historical time series of local variables. The simultaneous SLP fields calculated by NCEP atmospheric reanalysis are used as predictors. Several applications with different size of sea level pressure grid and with different temporal domain resolution are compared to obtain the optimal statistical model that better represents the monthly wave climate at a particular site. In this work we examine the potential skill of this downscaling approach considering perfect-model conditions, but we will also analyze the suitability of this methodology to be used for seasonal forecast and for long-term climate change scenario projection of wave climate.

Clues to the Formation of Spiral Structure in M51 from the Ages and Locations of Star Clusters

NASA Astrophysics Data System (ADS)

Chandar, Rupali; Chien, L.-H.; Meidt, Sharon; Querejeta, Miguel; Dobbs, Clare; Schinnerer, Eva; Whitmore, Bradley C.; Calzetti, Daniela; Dinino, Daiana; Kennicutt, Robert C.; Regan, Michael

2017-08-01

We determine the spatial distributions of star clusters at different ages in the grand-design spiral galaxy M51 using a new catalog based on multi-band images taken with the Hubble Space Telescope (HST). These distributions, when compared with the spiral structure defined by molecular gas, dust, young and old stars, show the following sequence in the inner arms: dense molecular gas (and dust) defines the inner edge of the spiral structure, followed by an overdensity of old stars and then young stellar clusters. The offset between gas and young clusters in the inner arms is consistent with the expectations for a density wave. Clusters as old as a few hundred Myr remain concentrated close to the spiral arms, although the distributions are broader than those for the youngest clusters, which is also consistent with predictions from density wave simulations. The outermost portion of the west arm is different from the rest of the spiral structure in that it contains primarily intermediate-age (≈ 100{--}400 {Myr}) clusters; we believe that this is a “material” arm. We have identified four “feathers,” stellar structures beyond the inner arms that have a larger pitch angle than the arms. We do not find age gradients along any of the feathers, but the least coherent feathers appear to have the largest range of cluster ages.

Oxidation of Sn doped Cu cluster: A first principle study

NASA Astrophysics Data System (ADS)

Parida, Ganesh; Majumder, Chiranjib

2017-05-01

Bimetallic clusters have immense potential to exhibit tunable properties in the emerging field of nano catalysis. Using plane wave based pseudopotential approach we have investigated the oxidation behavior of pure and Sn doped Cu13 clusters. The results showed significant modification of the cluster geometry upon interaction with oxygen molecule. The interaction of oxygen with Cu13, Cu12Sn1 and Cu11Sn2 clusters show dissociative chemisorption is more favorable than molecular adsorption. In addition, the adsorption energy is found to decrease with the increase in Sn concentration.

Infrared laser spectroscopy of the linear C13 carbon cluster

NASA Technical Reports Server (NTRS)

Giesen, T. F.; Van Orden, A.; Hwang, H. J.; Fellers, R. S.; Provencal, R. A.; Saykally, R. J.

1994-01-01

The infrared absorption spectrum of a linear, 13-atom carbon cluster (C13) has been observed by using a supersonic cluster beam-diode laser spectrometer. Seventy-six rovibrational transitions were measured near 1809 wave numbers and assigned to an antisymmetric stretching fundamental in the 1 sigma g+ ground state of C13. This definitive structural characterization of a carbon cluster in the intermediate size range between C10 and C20 is in apparent conflict with theoretical calculations, which predict that clusters of this size should exist as planar monocyclic rings.

Multifunctional fluorescent iron quantum clusters for non-invasive radiofrequency ablationof cancer cells.

PubMed

Jose, Akhila; Surendran, Mrudula; Fazal, Sajid; Prasanth, Bindhu-Paul; Menon, Deepthy

2018-05-01

This work reports the potential of iron quantum clusters (FeQCs) as a hyperthermia agent for cancer, by testing its in-vitro response to shortwave (MHz range), radiofrequency (RF) waves non-invasively. Stable, fluorescent FeQCs of size ∼1 nm prepared by facile aqueous chemistry from endogenous protein haemoglobin were found to give a high thermal response, with a ΔT ∼50 °C at concentrationsas low as165 μg/mL. The as-prepared nanoclusters purified by lyophilization as well as dialysis showed a concentration, power and time-dependent RF response, with the lyophilized FeQCs exhibiting pronounced heating effects. FeQCs were found to be cytocompatible to NIH-3T3 fibroblast and 4T1 cancer cells treated at concentrations upto 1000 μg/mL for 24 h. Upon incubation with FeQCs and exposure to RF waves, significant cancer cell death was observed which proves its therapeutic ability. The fluorescent ability of the clusters could additionally be utilized for imaging cancer cells upon excitation at ∼450 nm. Further, to demonstrate the feasibility of imparting additional functionality such as drug/biomolecule/dye loading to FeQCs, they were self assembled with cationic polymers to form nanoparticles. Self assembly did not alter the RF heating potential of FeQCs and additionally enhanced its fluorescence. The multifunctional fluorescent FeQCs therefore show good promise as a novel therapeutic agent for RF hyperthermia and drug loading. Copyright © 2018 Elsevier B.V. All rights reserved.

Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster

NASA Astrophysics Data System (ADS)

Garniron, Yann; Giner, Emmanuel; Malrieu, Jean-Paul; Scemama, Anthony

2017-04-01

A central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC) in the multi-exponential Jeziorski-Monkhorst formalism concerns the definition of the amplitudes of the single and double excitation operators appearing in the exponential wave operators. If the reference space is a complete active space (CAS), the number of these amplitudes is larger than the number of singly and doubly excited determinants on which one may project the eigenequation, and one must impose additional conditions. The present work first defines a state-specific reference-independent operator T˜ ^ m which acting on the CAS component of the wave function |Ψ0m⟩ maximizes the overlap between (1 +T˜ ^ m ) |Ψ0m⟩ and the eigenvector of the CAS-SD (Singles and Doubles) Configuration Interaction (CI) matrix |ΨCAS-SDm⟩ . This operator may be used to generate approximate coefficients of the triples and quadruples, and a dressing of the CAS-SD CI matrix, according to the intermediate Hamiltonian formalism. The process may be iterated to convergence. As a refinement towards a strict coupled cluster formalism, one may exploit reference-independent amplitudes provided by (1 +T˜ ^ m ) |Ψ0m⟩ to define a reference-dependent operator T^ m by fitting the eigenvector of the (dressed) CAS-SD CI matrix. The two variants, which are internally uncontracted, give rather similar results. The new MR-CC version has been tested on the ground state potential energy curves of 6 molecules (up to triple-bond breaking) and two excited states. The non-parallelism error with respect to the full-CI curves is of the order of 1 mEh.

Cluster spacecraft observations of a ULF wave enhanced by Space Plasma Exploration by Active Radar (SPEAR)

NASA Astrophysics Data System (ADS)

Badman, S. V.; Wright, D. M.; Clausen, L. B. N.; Fear, R. C.; Robinson, T. R.; Yeoman, T. K.

2009-09-01

Space Plasma Exploration by Active Radar (SPEAR) is a high-latitude ionospheric heating facility capable of exciting ULF waves on local magnetic field lines. We examine an interval from 1 February 2006 when SPEAR was transmitting a 1 Hz modulation signal with a 10 min on-off cycle. Ground magnetometer data indicated that SPEAR modulated currents in the local ionosphere at 1 Hz, and enhanced a natural field line resonance with a 10 min period. During this interval the Cluster spacecraft passed over the heater site. Signatures of the SPEAR-enhanced field line resonance were present in the magnetic field data measured by the magnetometer on-board Cluster-2. These are the first joint ground- and space-based detections of field line tagging by SPEAR.

Studies of the seismic coda using an earthquake cluster as a deeply buried seismograph array

NASA Astrophysics Data System (ADS)

Spudich, Paul; Bostwick, Todd

1987-09-01

Loosely speaking, the principle of Green's function reciprocity means that the source and receiver positions in a seismic experiment can be exchanged without affecting the observed seismograms. Consequently, the seismograms observed at a single observation location o and caused by a cluster of microearthquakes at locations {ei} are identical to the time series that would be measured by an array of stress meters emplaced at positions {ei}, recording waves generated by a source acting at o. By applying array analysis techniques like slant stacking and frequency-wave number analysis to these seismograms, we can determine the directions and velocities of the component waves as they travel in the earthquake focal region rather than at the surface. We have developed a computationally rapid plane-wave decomposition which we have applied to single-station recordings of aftershocks of the 1984 Morgan Hill, California, earthquake. The analysis is applied to data from three seismic stations having considerably different site geologies. One is a relatively hard rock station situated on Franciscan metamorphics, one is within the Calaveras fault zone, and one is on semiconsolidated sand and gravels. We define the early coda to be the part of the coda initiating immediately after the direct S wave and ending at twice the S wave lapse time. The character of the S wave and early coda varies from being impulsive at the first station to highly reverberative at the last. We examine waves in sequential time windows starting at the S wave and continuing through the early part of the coda. At all seismic stations the early coda is dominated by a persistent signal that must be caused by multiple scattering, probably within 2 km of each seismic station. Despite clear station-to-station differences in the character of the early coda, coda Q values measured in the late coda (greater than twice the S lapse time) agree well among stations, implying that the mechanisms causing the varying behavior of the early coda do not control the coda decay rate at the stations we have considered. Coda Q values measured on horizontal components of motion agree within a factor of 2 with those measured on vertical components. We have not been able to determine the composition of the late coda because of a low signal-to-noise ratio. Our analysis technique, however, is quite appropriate for such a task.

Work Functions for Models of Scandate Surfaces

NASA Technical Reports Server (NTRS)

Mueller, Wolfgang

1997-01-01

The electronic structure, surface dipole properties, and work functions of scandate surfaces have been investigated using the fully relativistic scattered-wave cluster approach. Three different types of model surfaces are considered: (1) a monolayer of Ba-Sc-O on W(100), (2) Ba or BaO adsorbed on Sc2O3 + W, and (3) BaO on SC2O3 + WO3. Changes in the work function due to Ba or BaO adsorption on the different surfaces are calculated by employing the depolarization model of interacting surface dipoles. The largest work function change and the lowest work function of 1.54 eV are obtained for Ba adsorbed on the Sc-O monolayer on W(100). The adsorption of Ba on Sc2O3 + W does not lead to a low work function, but the adsorption of BaO results in a work function of about 1.6-1.9 eV. BaO adsorbed on Sc2O3 + WO3, or scandium tungstates, may also lead to low work functions.

A link between nonlinear self-organization and dissipation in drift-wave turbulence

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

Manz, P.; Birkenmeier, G.; Stroth, U.

Structure formation and self-organization in two-dimensional drift-wave turbulence show up in many different faces. Fluctuation data from a magnetized plasma are analyzed and three mechanisms transferring kinetic energy to large-scale structures are identified. Beside the common vortex merger, clustering of vortices constituting a large-scale strain field and vortex thinning, where due to the interactions of vortices of different scales larger vortices are amplified by the smaller ones, are observed. The vortex thinning mechanism appears to be the most efficient one to generate large scale structures in drift-wave turbulence. Vortex merging as well as vortex clustering are accompanied by strong energymore » transfer to small-scale noncoherent fluctuations (dissipation) balancing the negative entropy generation due to the self-organization process.« less

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

Menikoff, Ralph

SURFplus is a reactive burn model for high explosives aimed at modelling shock initiation and propagation of detonation waves. It utilizes the SURF model for the fast hot-spot reaction plus a slow reaction for the energy released by carbon clustering. A feature of the SURF model is that there is a partially decoupling between burn rate parameters and detonation wave properties. Previously, parameters for PBX 9502 that control shock ini- tiation had been calibrated to Pop plot data (distance-of-run to detonation as a function of shock pressure initiating the detonation). Here burn rate parameters for the high pres- sure regimemore » are adjusted to t the failure diameter and the limiting detonation speed just above the failure diameter. Simulated results are shown for an uncon ned rate stick when the 9502 diameter is slightly above and slightly below the failure diameter. Just above the failure diameter, in the rest frame of the detonation wave, the front is sonic at the PBX/air interface. As a consequence, the lead shock in the neighborhood of the interface is supported by the detonation pressure in the interior of the explosive rather than the reaction immediately behind the front. In the interior, the sonic point occurs near the end of the fast hot-spot reaction. Consequently, the slow carbon clustering reaction can not a ect the failure diameter. Below the failure diameter, the radial extent of the detonation front decreases starting from the PBX/air interface. That is, the failure starts at the PBX boundary and propagates inward to the axis of the rate stick.« less

The rise and fall of star formation in z ~ 0.2 merging galaxy clusters

DOE PAGES

Stroe, Andra; Sobral, David; Dawson, William; ...

2015-04-20

CIZA J2242.8+5301 (‘Sausage’) and 1RXS J0603.3+4213 (‘Toothbrush’) are two low-redshift (z ~ 0.2), massive (~2 × 10 15 M ⊙), post-core passage merging clusters, which host-shock waves traced by diffuse radio emission. To study their star formation properties, we uniformly survey the ‘Sausage’ and ‘Toothbrush’ clusters in broad- and narrow-band filters and select a sample of 201 and 463 line emitters, down to a rest-frame equivalent width (13 Å). Here, we robustly separate between Hα and higher redshift emitters using a combination of optical multiband (B, g, V, r, i, z) and spectroscopic data. We build Hα luminosity functions formore » the entire cluster region, near the shock fronts, and away from the shock fronts and find striking differences between the two clusters. In the dynamically younger, 1 Gyr old ‘Sausage’ cluster we find numerous (59) Hα emitters above a star formation rate (SFR) of 0.17 M ⊙ yr -1 surprisingly located in close proximity to the shock fronts, embedded in very hot intracluster medium plasma. The SFR density for the cluster population is at least at the level of typical galaxies at z ~ 2. Down to the same SFR, the possibly dynamically more evolved ‘Toothbrush’ cluster has only nine Hα galaxies. The cluster Hα galaxies fall on the SFR–stellar mass relation z ~ 0.2 for the field. However, the ‘Sausage’ cluster has an Hα emitter density >20 times that of blank fields. If the shock passes through gas-rich cluster galaxies, the compressed gas could collapse into dense clouds and excite star formation for a few 100 Myr. Finally, this process ultimately leads to a rapid consumption of the molecular gas, accelerating the transformation of gas-rich field spirals into cluster S0s or ellipticals.« less

Cluster observations of EMIC triggered emissions in association with Pc1 waves near Earth's plasmapause

NASA Astrophysics Data System (ADS)

Pickett, J. S.; Grison, B.; Omura, Y.; Engebretson, M. J.; Dandouras, I.; Masson, A.; Adrian, M. L.; Santolík, O.; Décréau, P. M. E.; Cornilleau-Wehrlin, N.; Constantinescu, D.

2010-05-01

The Cluster spacecraft were favorably positioned on the nightside near the equatorial plasmapause of Earth at L ˜ 4.3 on 30 March 2002 to observe electromagnetic ion cyclotron (EMIC) rising tone emissions in association with Pc1 waves at 1.5 Hz. The EMIC rising tone emissions were found to be left-hand, circularly polarized, dispersive, and propagating away from the equator. Their burstiness and dispersion of ˜30s/Hz rising out of the 1.5 Hz Pc1 waves are consistent with their identification as EMIC triggered chorus emissions, the first to be reported through in situ observations near the plasmapause. Along with the expected H+ ring current ions seen at higher energies (>300 eV), lower energy ions (300 eV and less) were observed during the most intense EMIC triggered emission events. Nonlinear wave-particle interactions via cyclotron resonance between the ˜2-10 keV H+ ions with temperature anisotropy and the linearly-amplified Pc1 waves are suggested as a possible generation mechanism for the EMIC triggered emissions.

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0).

PubMed

Hellström, Matti; Spångberg, Daniel; Hermansson, Kersti

2015-12-15

We assess the consequences of the interface model-embedded-cluster or periodic-slab model-on the ability of DFT calculations to describe charge transfer (CT) in a particularly challenging case where periodic-slab calculations indicate a delocalized charge-transfer state. Our example is Cu atom adsorption on ZnO(10(1)0), and in fact the periodic slab calculations indicate three types of CT depending on the adsorption site: full CT, partial CT, and no CT. Interestingly, when full CT occurs in the periodic calculations, the calculated Cu atom adsorption energy depends on the underlying ZnO substrate supercell size, since when the electron enters the ZnO it delocalizes over as many atoms as possible. In the embedded-cluster calculations, the electron transferred to the ZnO delocalizes over the entire cluster region, and as a result the calculated Cu atom adsorption energy does not agree with the value obtained using a large periodic supercell, but instead to the adsorption energy obtained for a periodic supercell of roughly the same size as the embedded cluster. Different density functionals (of GGA and hybrid types) and basis sets (local atom-centered and plane-waves) were assessed, and we show that embedded clusters can be used to model Cu adsorption on ZnO(10(1)0), as long as care is taken to account for the effects of CT. © 2015 Wiley Periodicals, Inc.

Epigenetic Patterns Modulate the Connection Between Developmental Dynamics of Parenting and Offspring Psychosocial Adjustment.

PubMed

Naumova, Oksana Yu; Hein, Sascha; Suderman, Matthew; Barbot, Baptiste; Lee, Maria; Raefski, Adam; Dobrynin, Pavel V; Brown, Pamela J; Szyf, Moshe; Luthar, Suniya S; Grigorenko, Elena L

2016-01-01

This study attempted to establish and quantify the connections between parenting, offspring psychosocial adjustment, and the epigenome. The participants, 35 African American young adults (19 females and 16 males; age = 17-29.5 years), represented a subsample of a 3-wave longitudinal 15-year study on the developmental trajectories of low-income urban mother-offspring dyads. Mothers were assessed on their perceptions of maternal stress at each wave. Offspring were assessed on their perceptions of maternal parenting at each wave and on their adaptive and maladaptive behavior at the last wave. Genome-wide DNA methylation in peripheral T lymphocytes at the third wave was assayed using Methyl Binding Domain(MBD) sequencing. Statistically significant associations were identified between the change in offspring's perception of parenting from middle childhood to adulthood and the DNA methylation in offspring's adult genomes. Specifically, the slope of perceived parental rejection across the 3 time points was related to an increase in methylation, or a potential downregulation, of 565 genes thought to be involved in the control of a broad spectrum of biological functions generally related to cellular signaling. A subset of these epigenetic marks, clustered in 23 genes, some of which participate in the development and functioning of the CNS, were in turn associated with psychosocial adjustment as captured by interpersonal relationships and emotional self-evaluation. This appears to be one of the first investigations of the modulating role of the methylome in associations between developmental dynamics of parenting throughout the formative years of child and adolescent development and psychosocial adjustment in adulthood. © 2016 The Authors. Child Development © 2016 Society for Research in Child Development, Inc.

The plasma physics of thermal conduction in the intracluster medium of galaxy clusters

NASA Astrophysics Data System (ADS)

Reynolds, Christopher

Most of the baryons in a galaxy cluster reside in a hot (10-100 million K) and tenuous gaseous atmosphere confined by the gravitational potential of the cluster's dark matter halo. Understanding the microphysics of this intracluster medium (ICM), particularly the transport processes such as thermal conduction and viscosity, is important to any understanding of the thermodynamic state of ICM atmospheres. For example, the current paradigm is that radiative losses in the ICM core are offset by energy from a central jetted active galactic nucleus (AGN), preventing a cooling catastrophe in the cluster core. However, the mechanism by which the jet-injected energy is thermalized in the ICM is highly uncertain - the dissipation of waves or turbulence by thermal conduction or plasma viscosity is a leading contender. A knowledge of thermal conduction in the ICM is also important for any attempts to understand the global temperature profiles of clusters, with consequences for e.g. cosmological studies based on observations of the SunyaevZeldovich (SZ) effect. The basic physics of thermal conduction in the ICM is very poorly understood, however, leading to a huge uncertainty in the relevant coefficients. The ICM resides in a poorly studied regime of plasma physics - it is a highly magnetized (gyroradii << particle mean free path), high-beta (thermal pressure >> magnetic pressure), and weakly collisional (mean-free path only moderately less than global scale lengths) plasma. Thermal conduction will be strongly suppressed perpendicular to magnetic fields lines. But even along field lines, the growth of small scale and fast kinetic instabilities may strongly suppress thermal conduction. Hence the usual assumption, that conduction along the field has its classical Spitzer value, has a shaky theoretical basis and may well be wildly inaccurate. In this proposal, we use analytical theory and computer models to explore thermal conduction in ICM-like plasmas. Recently, we have found that a strong heat-flux will drive a powerful whistler-wave instability and, provided we treat the problem in more than 1D so that oblique modes are captured, these waves efficiently scatter electrons thereby shutting down the heat-flux. Our proposed work builds on these findings with the goal of characterizing the macroscopic effective thermal conduction in a form that can be included in fluid (magnetohydrodynamic; MHD) models of the ICM. We will, 1) Conduct an extended linear analysis of the heat-flux whistler instability, exploring the interaction of the heat flux and the pressure anisotropies that would result from bulk motions of the ICM. We will map the stable/unstable regions as a function of heat-flux, pressure anisotropy, and plasma-beta. 2) Perform particle-in-cell (PIC) simulations to explore the non-linear saturation of the heat-flux whistler instability as a function of the plasma-beta and heat-flux, extending the current work (i.e. very strong fluxes) down to the modest heat-fluxes found in the real ICM. Key is whether overlapping wave-particle resonances that are so efficient at killing the conduction with strong heat-fluxes still operate when the driving heat-flux is weak. 3) Develop a new computational/PIC model that, in contrast to current work, sustains a temperature gradient across the domain thereby allowing us to directly measure the relationship between temperature gradient and heat flux. 4) Build a new thermal conduction model, allowing the heat flux to have a non-linear dependence on temperature gradient, and plasma-beta. We will develop thermal conduction algorithms that can be used in public MHD e.g., PLUTO or FLASH. This work will provide the crucial bridge between the global/MHD models of ICM atmospheres and the microphysics that dictates the transport processes. It will inform the next generation of cluster models used to interpret data from NASA's fleet of X-ray observatories.

Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.

PubMed

Veis, Libor; Antalík, Andrej; Brabec, Jiří; Neese, Frank; Legeza, Örs; Pittner, Jiří

2016-10-03

In the past decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favorable scaling, it is in practice not suitable for computations of dynamic correlation. We present a novel method for accurate "post-DMRG" treatment of dynamic correlation based on the tailored coupled cluster (CC) theory in which the DMRG method is responsible for the proper description of nondynamic correlation, whereas dynamic correlation is incorporated through the framework of the CC theory. We illustrate the potential of this method on prominent multireference systems, in particular, N 2 and Cr 2 molecules and also oxo-Mn(Salen), for which we have performed the first post-DMRG computations in order to shed light on the energy ordering of the lowest spin states.

Matter and charge distributions of 6He and 5,6,7,9Li within the dynamic-correlation model

NASA Astrophysics Data System (ADS)

Tomaselli, M.; Hjorth-Jensen, M.; Fritzsche, S.; Egelhof, P.; Neumaier, S. R.; Mutterer, M.; Kühl, T.; Dax, A.; Wang, H.

2000-12-01

The matter and the charge distributions of the 6He and 5,6,7,9Li isotopes are investigated within the dynamic-correlation model (DCM) which describes the ground states of light nuclei in terms of microscopic correlated clusters: the valence particles and the intrinsic vacuum states. The amplitudes of these mixed-mode wave functions are calculated in the framework of nonperturbative solutions of the equation of motion method (EOMM). The matter and charge mean square radii are in good agreement with experimental results. The calculated matter distribution of the 6He nucleus is characterized by a halo structure less pronounced than that calculated by the three cluster models. The charge distribution of 6Li reproduces well the electron scattering data. Good agreement with experimental data has been also achieved for the proton scattering cross sections of p-6He at an energy of 0.7 GeV/nucleon.

Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids.

PubMed

Schmidt, Michael W; Gordon, Mark S

2017-10-19

Many ionic liquids containing the dicynamide anion (DCA - , formula N(CN) 2 - ) exhibit hypergolic ignition when exposed to the common oxidizer nitric acid. However, the ignition delay is often about 10 times longer than the desired 5 ms for rocket applications, so that improvements are desired. Experiments in the past decade have suggested both a mechanism for the early reaction steps and also that additives such as decaborane can reduce the ignition delay. The mechanisms for reactions of nitric acid with both DCA - and protonated DCAH are considered here, using accurate wave function methods. Complexation of DCA - or DCAH with borane clusters B 10 H 14 or B 9 H 14 - is found to modify these mechanisms slightly by changing the nature of some of the intermediate saddle points and by small reductions in the reaction barriers.

Spiral waves characterization: Implications for an automated cardiodynamic tissue characterization.

PubMed

Alagoz, Celal; Cohen, Andrew R; Frisch, Daniel R; Tunç, Birkan; Phatharodom, Saran; Guez, Allon

2018-07-01

Spiral waves are phenomena observed in cardiac tissue especially during fibrillatory activities. Spiral waves are revealed through in-vivo and in-vitro studies using high density mapping that requires special experimental setup. Also, in-silico spiral wave analysis and classification is performed using membrane potentials from entire tissue. In this study, we report a characterization approach that identifies spiral wave behaviors using intracardiac electrogram (EGM) readings obtained with commonly used multipolar diagnostic catheters that perform localized but high-resolution readings. Specifically, the algorithm is designed to distinguish between stationary, meandering, and break-up rotors. The clustering and classification algorithms are tested on simulated data produced using a phenomenological 2D model of cardiac propagation. For EGM measurements, unipolar-bipolar EGM readings from various locations on tissue using two catheter types are modeled. The distance measure between spiral behaviors are assessed using normalized compression distance (NCD), an information theoretical distance. NCD is a universal metric in the sense it is solely based on compressibility of dataset and not requiring feature extraction. We also introduce normalized FFT distance (NFFTD) where compressibility is replaced with a FFT parameter. Overall, outstanding clustering performance was achieved across varying EGM reading configurations. We found that effectiveness in distinguishing was superior in case of NCD than NFFTD. We demonstrated that distinct spiral activity identification on a behaviorally heterogeneous tissue is also possible. This report demonstrates a theoretical validation of clustering and classification approaches that provide an automated mapping from EGM signals to assessment of spiral wave behaviors and hence offers a potential mapping and analysis framework for cardiac tissue wavefront propagation patterns. Copyright © 2018 Elsevier B.V. All rights reserved.

Solfatara volcano subsurface imaging: two different approaches to process and interpret multi-variate data sets

NASA Astrophysics Data System (ADS)

Bernardinetti, Stefano; Bruno, Pier Paolo; Lavoué, François; Gresse, Marceau; Vandemeulebrouck, Jean; Revil, André

2017-04-01

The need to reduce model uncertainty and produce a more reliable geophysical imaging and interpretations is nowadays a fundamental task required to geophysics techniques applied in complex environments such as Solfatara Volcano. The use of independent geophysical methods allows to obtain many information on the subsurface due to the different sensitivities of the data towards parameters such as compressional and shearing wave velocities, bulk electrical conductivity, or density. The joint processing of these multiple physical properties can lead to a very detailed characterization of the subsurface and therefore enhance our imaging and our interpretation. In this work, we develop two different processing approaches based on reflection seismology and seismic P-wave tomography on one hand, and electrical data acquired over the same line, on the other hand. From these data, we obtain an image-guided electrical resistivity tomography and a post processing integration of tomographic results. The image-guided electrical resistivity tomography is obtained by regularizing the inversion of the electrical data with structural constraints extracted from a migrated seismic section using image processing tools. This approach enables to focus the reconstruction of electrical resistivity anomalies along the features visible in the seismic section, and acts as a guide for interpretation in terms of subsurface structures and processes. To integrate co-registrated P-wave velocity and electrical resistivity values, we apply a data mining tool, the k-means algorithm, to individuate relationships between the two set of variables. This algorithm permits to individuate different clusters with the objective to minimize the sum of squared Euclidean distances within each cluster and maximize it between clusters for the multivariate data set. We obtain a partitioning of the multivariate data set in a finite number of well-correlated clusters, representative of the optimum clustering of our geophysical variables (P-wave velocities and electrical resistivities). The result is an integrated tomography that shows a finite number of homogeneous geophysical facies, and therefore permits to highlight the main geological features of the subsurface.

Recent Impacts on Mars: Cluster Properties and Seismic Signal Predictions

NASA Astrophysics Data System (ADS)

Justine Daubar, Ingrid; Schmerr, Nicholas; Banks, Maria; Marusiak, Angela; Golombek, Matthew P.

2016-10-01

Impacts are a key source of seismic waves that are a primary constraint on the formation, evolution, and dynamics of planetary objects. Geophysical missions such as InSight (Banerdt et al., 2013) will monitor seismic signals from internal and external sources. New martian craters have been identified in orbital images (Malin et al., 2006; Daubar et al., 2013). Seismically detecting such impacts and subsequently imaging the resulting craters will provide extremely accurate epicenters and source crater sizes, enabling calibration of seismic velocities, the efficiency of impact-seismic coupling, and retrieval of detailed regional and local internal structure.To investigate recent impact-induced seismicity on Mars, we have assessed ~100 new, dated impact sites. In approximately half of new impacts, the bolide partially disintegrates in the atmosphere, forming multiple craters in a cluster. We incorporate the resulting, more complex, seismic effects in our model. To characterize the variation between sites, we focus on clustered impacts. We report statistics of craters within clusters: diameters, morphometry indicating subsurface layering, strewn-field azimuths indicating impact direction, and dispersion within clusters indicating combined effects of bolide strength and elevation of breakup.Measured parameters are converted to seismic predictions for impact sources using a scaling law relating crater diameter to the momentum and source duration, calibrated for impacts recorded by Apollo (Lognonne et al., 2009). We use plausible ranges for target properties, bolide densities, and impact velocities to bound the seismic moment. The expected seismic sources are modeled in the near field using a 3-D wave propagation code (Petersson et al., 2010) and in the far field using a 1-D wave propagation code (Friederich et al., 1995), for a martian seismic model. Thus we calculate the amplitudes of seismic phases at varying distances, which can be used to evaluate the detectability of body and surface wave phases created by different sizes and types of impacts all over Mars.

Transitioning NWChem to the Next Generation of Manycore Machines

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

Bylaska, Eric J.; Apra, Edoardo; Kowalski, Karol

The NorthWest Chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers[6, 28, 49]. It contains an umbrella of modules that today includes Self Consistent Field (SCF), second order Mller-Plesset perturbation theory (MP2), Coupled Cluster, multi-conguration selfconsistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics, Car-Parrinello molecular dynamics, classical molecular dynamics (MD), QM/MM,more » AIMD/MM, GIAO NMR, COSMO, COSMO-SMD, and RISM solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities[ 22]. Moreover new capabilities continue to be added with each new release.« less

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

Wang, Weizhou, E-mail: wzw@lynu.edu.cn, E-mail: ybw@gzu.edu.cn; Zhang, Yu; Sun, Tao

High-level coupled cluster singles, doubles, and perturbative triples [CCSD(T)] computations with up to the aug-cc-pVQZ basis set (1924 basis functions) and various extrapolations toward the complete basis set (CBS) limit are presented for the sandwich, T-shaped, and parallel-displaced benzene⋯naphthalene complex. Using the CCSD(T)/CBS interaction energies as a benchmark, the performance of some newly developed wave function and density functional theory methods has been evaluated. The best performing methods were found to be the dispersion-corrected PBE0 functional (PBE0-D3) and spin-component scaled zeroth-order symmetry-adapted perturbation theory (SCS-SAPT0). The success of SCS-SAPT0 is very encouraging because it provides one method for energy componentmore » analysis of π-stacked complexes with 200 atoms or more. Most newly developed methods do, however, overestimate the interaction energies. The results of energy component analysis show that interaction energies are overestimated mainly due to the overestimation of dispersion energy.« less

Independent-Cluster Parametrizations of Wave Functions in Model Field Theories III. The Coupled-Cluster Phase Spaces and Their Geometrical Structure

NASA Astrophysics Data System (ADS)

Arponen, J. S.; Bishop, R. F.

1993-11-01

In this third paper of a series we study the structure of the phase spaces of the independent-cluster methods. These phase spaces are classical symplectic manifolds which provide faithful descriptions of the quantum mechanical pure states of an arbitrary system. They are "superspaces" in the sense that the full physical many-body or field-theoretic system is described by a point of the space, in contrast to "ordinary" spaces for which the state of the physical system is described rather by the whole space itself. We focus attention on the normal and extended coupled-cluster methods (NCCM and ECCM). Both methods provide parametrizations of the Hilbert space which take into account in increasing degrees of completeness the connectivity properties of the associated perturbative diagram structure. This corresponds to an increasing incorporation of locality into the description of the quantum system. As a result the degree of nonlinearity increases in the dynamical equations that govern the temporal evolution and determine the equilibrium state. Because of the nonlinearity, the structure of the manifold becomes geometrically complicated. We analyse the neighbourhood of the ground state of the one-mode anharmonic bosonic field theory and derive the nonlinear expansion beyond the linear response regime. The expansion is given in terms of normal-mode amplitudes, which provide the best local coordinate system close to the ground state. We generalize the treatment to other nonequilibrium states by considering the similarly defined normal coordinates around the corresponding phase space point. It is pointed out that the coupled-cluster method (CCM) maps display such features as (an)holonomy, or geometric phase. For example, a physical state may be represented by a number of different points on the CCM manifold. For this reason the whole phase spaces in the NCCM or ECCM cannot be covered by a single chart. To account for this non-Euclidean nature we introduce a suitable pseudo-Riemannian metric structure which is compatible with an important subset of all canonical transformations. It is then shown that the phase space of the configuration-interaction method is flat, namely the complex Euclidean space; that the NCCM manifold has zero curvature even though its Reimann tensor does not vanish; and that the ECCM manifold is intrinsically curved. It is pointed out that with the present metrization many of the dimensions of the ECCM phase space are effectively compactified and that the overall topological structure of the space is related to the distribution of the zeros of the Bargmann wave function.

Phase retrieval algorithm for JWST Flight and Testbed Telescope

NASA Astrophysics Data System (ADS)

Dean, Bruce H.; Aronstein, David L.; Smith, J. Scott; Shiri, Ron; Acton, D. Scott

2006-06-01

An image-based wavefront sensing and control algorithm for the James Webb Space Telescope (JWST) is presented. The algorithm heritage is discussed in addition to implications for algorithm performance dictated by NASA's Technology Readiness Level (TRL) 6. The algorithm uses feedback through an adaptive diversity function to avoid the need for phase-unwrapping post-processing steps. Algorithm results are demonstrated using JWST Testbed Telescope (TBT) commissioning data and the accuracy is assessed by comparison with interferometer results on a multi-wave phase aberration. Strategies for minimizing aliasing artifacts in the recovered phase are presented and orthogonal basis functions are implemented for representing wavefronts in irregular hexagonal apertures. Algorithm implementation on a parallel cluster of high-speed digital signal processors (DSPs) is also discussed.

Effect of slow energy releasing on divergent detonation of Insensitive High Explosives

NASA Astrophysics Data System (ADS)

Hu, Xiaomian; Pan, Hao; Huang, Yong; Wu, Zihui

2014-03-01

There exists a slow energy releasing (SER) process in the slow reaction zone located behind the detonation wave due to the carbon cluster in the detonation products of Insensitive High Explosives (IHEs), and the process will affect the divergent detonation wave's propagation and the driving process of the explosives. To study the potential effect, a new artificial burn model including the SER process based on the programmed burn model is proposed in the paper. Quasi-steady analysis of the new model indicates that the nonlinearity of the detonation speed as a function of front curvature owes to the significant change of the reaction rate and the reaction zone length at the sonic state. What's more, in simulating the detonation of IHE JB-9014, the new model including the slow reaction can predict a slower jump-off velocity, in good agreement with the result of the test.

Optimized coordinates in vibrational coupled cluster calculations

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

Thomsen, Bo; Christiansen, Ove; Yagi, Kiyoshi

The use of variationally optimized coordinates, which minimize the vibrational self-consistent field (VSCF) ground state energy with respect to orthogonal transformations of the coordinates, has recently been shown to improve the convergence of vibrational configuration interaction (VCI) towards the exact full VCI [K. Yagi, M. Keçeli, and S. Hirata, J. Chem. Phys. 137, 204118 (2012)]. The present paper proposes an incorporation of optimized coordinates into the vibrational coupled cluster (VCC), which has in the past been shown to outperform VCI in approximate calculations where similar restricted state spaces are employed in VCI and VCC. An embarrassingly parallel algorithm for variationalmore » optimization of coordinates for VSCF is implemented and the resulting coordinates and potentials are introduced into a VCC program. The performance of VCC in optimized coordinates (denoted oc-VCC) is examined through pilot applications to water, formaldehyde, and a series of water clusters (dimer, trimer, and hexamer) by comparing the calculated vibrational energy levels with those of the conventional VCC in normal coordinates and VCI in optimized coordinates. For water clusters, in particular, oc-VCC is found to gain orders of magnitude improvement in the accuracy, exemplifying that the combination of optimized coordinates localized to each monomer with the size-extensive VCC wave function provides a supreme description of systems consisting of weakly interacting sub-systems.« less

Phylodynamic Analysis Revealed That Epidemic of CRF07_BC Strain in Men Who Have Sex with Men Drove Its Second Spreading Wave in China.

PubMed

Zhang, Min; Jia, Dijing; Li, Hanping; Gui, Tao; Jia, Lei; Wang, Xiaolin; Li, Tianyi; Liu, Yongjian; Bao, Zuoyi; Liu, Siyang; Zhuang, Daomin; Li, Jingyun; Li, Lin

2017-10-01

CRF07_BC was originally formed in Yunnan province of China in 1980s and spread quickly in injecting drug users (IDUs). In recent years, it has been introduced into men who have sex with men (MSM) and become the most dominant strain in China. In this study, we performed a comprehensively phylodynamic analysis of CRF07_BC sequences from China. All CRF07_BC sequences identified in China were retrieved from database. More sequences obtained in our laboratory were added to make the dataset more representative. A maximum-likelihood (ML) tree was constructed with PhyML3.0. Maximum clade credibility (MCC) tree and effective population size were predicted by using Markov Chains Monte Carlo sampling method with Beast software. A total of 610 CRF07_BC sequences coving 1,473 bp of the gag gene (from 817 to 2,289 according to HXB2 calculator) were included into the dataset. Three epidemic clusters were identified; two clusters comprised sequences from IDUs, while one cluster mainly contained sequences from MSMs. The time of the most recent common ancestor of clusters that composed of sequences from MSMs was estimated to be in 2000. Two rapid spreading waves of effective population size of CRF07_BC infections were identified in the skyline plot. The second wave coincided with the expanding of MSM cluster. The results indicated that the control of CRF07_BC infections in MSMs would help to decrease its epidemic in China.

Electron and ion distribution functions in magnetopause reconnection

NASA Astrophysics Data System (ADS)

Wang, S.; Chen, L. J.; Bessho, N.; Hesse, M.; Kistler, L. M.; Torbert, R. B.; Mouikis, C.; Pollock, C. J.

2015-12-01

We investigate electron and ion velocity distribution functions in dayside magnetopause reconnection events observed by the Cluster and MMS spacecraft. The goal is to build a spatial map of electron and ion distribution features to enable the indication of the spacecraft location in the reconnection structure, and to understand plasma energization processes. Distribution functions, together with electromagnetic field structures, plasma densities, and bulk velocities, are organized and compared with particle-in-cell simulation results to indicate the proximities to the reconnection X-line. Anisotropic features in the distributions of magnetospheric- and magnetosheath- origin electrons at different locations in the reconnection inflow and exhaust are identified. In particular, parallel electron heating is observed in both the magnetosheath and magnetosphere inflow regions. Possible effects of the guide field strength, waves, and upstream density and temperature asymmetries on the distribution features will be discussed.

Discovery of a Giant, 200,000 Light-year Long Wave Rolling Through the Perseus Galaxy Cluster

NASA Astrophysics Data System (ADS)

Walker, Stephen; Hlavacek-Larrondo, Julie; Gendon-Marsolais, Marie-Lou; Fabian, Andy; Intema, Huib; Sanders, Jeremy

2018-01-01

Deep observations of nearby galaxy clusters with Chandra have revealed concave 'bay' structures in a number of clusters (Perseus, Centaurus and Abell 1795), which have similar X-ray and radio properties. These bays have all the properties of cold fronts brought about by minor mergers causing the cluster gas to slosh around in the gravitational potential. At these cold fronts the temperature rises and density falls sharply. Unusually, in the case of the 'bays' these cold fronts are concave rather than convex. By comparing to simulations of gas sloshing, we find that the bay in the Perseus cluster bears a striking resemblance in its size, location and thermal structure, to a giant (≈50 kpc) wave resulting from Kelvin-Helmholtz instabilities. Such instabilities are commonly seen on far smaller scales in nature, from billow clouds in the Earth's atmosphere, to structures in the cloud belts of gas giant planets. Here we are witnessing this phenomenon on the largest scale ever seen, twice the size of the Milky Way galaxy. The morphology of this structure seen in Perseus can be compared to simulations to put constraints on the initial magnetic pressure throughout the overall cluster before the sloshing occurs. Such Kelvin-Helmholtz features in galaxy clusters have long been predicted by simulations, but it is only now that they have finally been observed, opening up an important new way to probe the physics of the intracluster medium, which contains the majority of the baryonic matter in clusters.

Preparation and Luminescence Thermochromism of Tetranuclear Copper(I)-Pyridine-Iodide Clusters

ERIC Educational Resources Information Center

Parmeggiani, Fabio; Sacchetti, Alessandro

2012-01-01

A simple and straightforward synthesis of a tetranuclear copper(I)-pyridine-iodide cluster is described as a laboratory experiment for advanced inorganic chemistry undergraduate students. The product is used to demonstrate the fascinating and visually impressive phenomenon of luminescence thermochromism: exposed to long-wave UV light, the…

The persistent clustering of adult body mass index by school attended in adolescence.

PubMed

Evans, Clare Rosenfeld; Lippert, Adam M; Subramanian, S V

2016-03-01

It is well known that adolescent body mass index (BMI) shows school-level clustering. We explore whether school-level clustering of BMI persists into adulthood. Multilevel models nesting young adults in schools they attended as adolescents are fit for 3 outcomes: adolescent BMI, self-report adult BMI and measured adult BMI. Sex-stratified and race/ethnicity-stratified (black, Hispanic, white, other) analyses were also conducted. School-level clustering (wave 1 intraclass correlation coefficient (ICC)=1.3%) persists over time (wave 4 ICC=2%), and results are comparable across stratified analyses of both sexes and all racial/ethnic groups (except for Hispanics when measured BMIs are used). Controlling for BMI in adolescence partially attenuates this effect. School-level clustering of BMI persists into young adulthood. Possible explanations include the salience of school environments in establishing behaviours and trajectories, the selection of adult social networks that resemble adolescent networks and reinforce previous behaviours, and characteristics of school catchment areas associated with BMI. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Evaluation of cluster expansions and correlated one-body properties of nuclei

NASA Astrophysics Data System (ADS)

Moustakidis, Ch. C.; Massen, S. E.; Panos, C. P.; Grypeos, M. E.; Antonov, A. N.

2001-07-01

Three different cluster expansions for the evaluation of correlated one-body properties of s-p and s-d shell nuclei are compared. Harmonic oscillator wave functions and Jastrow-type correlations are used, while analytical expressions are obtained for the charge form factor, density distribution, and momentum distribution by truncating the expansions and using a standard Jastrow correlation function f. The harmonic oscillator parameter b and the correlation parameter β have been determined by a least-squares fit to the experimental charge form factors in each case. The information entropy of nuclei in position space (Sr) and momentum space (Sk) according to the three methods are also calculated. It is found that the larger the entropy sum, S=Sr+Sk (the net information content of the system), the smaller the values of χ2. This indicates that maximal S is a criterion of the quality of a given nuclear model, according to the maximum entropy principle. Only two exceptions to this rule, out of many cases examined, were found. Finally an analytic expression for the so-called ``healing'' or ``wound'' integrals is derived with the function f considered, for any state of the relative two-nucleon motion, and their values in certain cases are computed and compared.

The Geomorphology of Puget Sound Beaches

DTIC Science & Technology

2006-10-01

of longer-term climate variations it is referred to as a meteorological residual. An analysis of regional air pressure and water level observations...wave and tidal climate . For further details on the analy- sis rational and methods, see Finlayson (2006) The clustering analysis resulted in four profile...energy compared with incident waves on the Pacific Coast, and (2) the wave climate is tightly coupled with local wind patterns. The direction of

Cluster analysis applied to localized dispersion curves in East Asia: the limits of surface wave resolution

NASA Astrophysics Data System (ADS)

Witek, M.; van der Lee, S.; Kang, T. S.; Chang, S. J.; Ning, J.; Ning, S.

2017-12-01

We have measured Rayleigh wave group velocity dispersion curves from one year of station-pair cross-correlations of continuous vertical-component broadband data from 1082 seismic stations in regional networks across China, Korea, Taiwan, and Japan for the year 2011. We use the measurements to map local dispersion anomalies for periods in the range 6-40 s. We combined our ambient noise data set with the earthquake group velocity data set of Ma et al. (2014), and then applied agglomerative hierarchical clustering to the localized dispersion curves. We find that the dispersion curves naturally organize themselves into distinct tectonic regions. For our distribution of interstation distances, only 8 distinct regions need to be defined. Additional clusters reduce the overall data misfit by increasingly smaller amounts. The size and number of clusters needed to suitably predict the data may give an indication of the resolving power of the data set. The regions that emerge from the cluster analysis include Tibet, the Sea of Japan, the South China Block and the Korean peninsula, the Ordos and Yangtze cratons, and Mesozoic rift basins such as the Songliao, Bohai Bay and Ulleung basins. We also performed a traditional inversion for 3D S-velocity structure, and the resulting model fits the data as well as the 8-cluster model, while both models fit the earthquake data and ambient noise data better than the LITHO1.0 model of Pasyanos et al. (2014). Our 3D model of the crust and upper mantle confirms many of the features seen in previous studies of the region, most notably the lithospheric thinning going from west to east and low velocity zones in the crust on the Tibetan periphery. We conclude that cluster analysis is able to greatly reduce the dimensionality of surface wave dispersion data, in the sense that a data set of over half a million dispersion curves is sufficiently predicted by appropriately averaging over a relatively small set of distinct tectonic regions. The resulting clustered model objectively quantifies the more intuitive ways in which we usually tend to interpret tomographic models.

A Missing Link in Galaxy Evolution: The Mysteries of Dissolving Star Clusters

NASA Astrophysics Data System (ADS)

Pellerin, Anne; Meyer, Martin; Harris, Jason; Calzetti, Daniela

2007-05-01

Star-forming events in starbursts and normal galaxies have a direct impact on the global stellar content of galaxies. These events create numerous compact clusters where stars are produced in great number. These stars eventually end up in the star field background where they are smoothly distributed. However, due to instrumental limitations such as spatial resolution and sensitivity, the processes involved during the transition phase from the compact clusters to the star field background as well as the impact of the environment (spiral waves, bars, starburst) on the lifetime of clusters are still poorly constrained observationally. I will present our latest results on the physical properties of dissolving clusters directly detected in HST/ACS archival images of the three nearby galaxies IC 2574, NGC 1313, and IC 10 (D < 5 Mpc). The ACS has the capability to detect and spatially resolve individual stars in nearby galaxies within a large field-of-view. For all ACS images obtained in three filters (F435W, F555W or F606W, and F814W), we performed PSF stellar photometry in crowded field. Color-magnitude diagrams (CMD) allow us to identify the most massive stars more likely to be part of dissolving clusters (A-type and earlier), and to isolate them from the star field background. We then adapt and use a clustering algorithm on the selected stars to find groups of stars to reveal and quantify the properties of all star clusters (compactness, size, age, mass). With this algorithm, even the less compact clusters are revealed while they are being destroyed. Our sample of three galaxies covers an interesting range in gravitational potential well and explores a variety of galaxy morphological types, which allows us to discuss the dissolving cluster properties as a function of the host galaxy characteristics. The properties of the star field background will also be discussed.

Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation

NASA Astrophysics Data System (ADS)

Haqshenas, S. R.; Ford, I. J.; Saffari, N.

2018-01-01

Effects of acoustic waves on a phase transformation in a metastable phase were investigated in our previous work [S. R. Haqshenas, I. J. Ford, and N. Saffari, "Modelling the effect of acoustic waves on nucleation," J. Chem. Phys. 145, 024315 (2016)]. We developed a non-equimolar dividing surface cluster model and employed it to determine the thermodynamics and kinetics of crystallisation induced by an acoustic field in a mass-conserved system. In the present work, we developed a master equation based on a hybrid Szilard-Fokker-Planck model, which accounts for mass transportation due to acoustic waves. This model can determine the kinetics of nucleation and the early stage of growth of clusters including the Ostwald ripening phenomenon. It was solved numerically to calculate the kinetics of an isothermal sonocrystallisation process in a system with mass transportation. The simulation results show that the effect of mass transportation for different excitations depends on the waveform as well as the imposed boundary conditions and tends to be noticeable in the case of shock waves. The derivations are generic and can be used with any acoustic source and waveform.

Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation.

PubMed

Haqshenas, S R; Ford, I J; Saffari, N

2018-01-14

Effects of acoustic waves on a phase transformation in a metastable phase were investigated in our previous work [S. R. Haqshenas, I. J. Ford, and N. Saffari, "Modelling the effect of acoustic waves on nucleation," J. Chem. Phys. 145, 024315 (2016)]. We developed a non-equimolar dividing surface cluster model and employed it to determine the thermodynamics and kinetics of crystallisation induced by an acoustic field in a mass-conserved system. In the present work, we developed a master equation based on a hybrid Szilard-Fokker-Planck model, which accounts for mass transportation due to acoustic waves. This model can determine the kinetics of nucleation and the early stage of growth of clusters including the Ostwald ripening phenomenon. It was solved numerically to calculate the kinetics of an isothermal sonocrystallisation process in a system with mass transportation. The simulation results show that the effect of mass transportation for different excitations depends on the waveform as well as the imposed boundary conditions and tends to be noticeable in the case of shock waves. The derivations are generic and can be used with any acoustic source and waveform.

Shear-wave splitting and moonquakes

NASA Astrophysics Data System (ADS)

Dimech, J. L.; Weber, R. C.; Savage, M. K.

2017-12-01

Shear-wave splitting is a powerful tool for measuring anisotropy in the Earth's crust and mantle, and is sensitive to geological features such as fluid filled cracks, thin alternating layers of rock with different elastic properties, and preferred mineral orientations caused by strain. Since a shear wave splitting measurement requires only a single 3-component seismic station, it has potential applications for future single-station planetary seismic missions, such as the InSight geophysical mission to Mars, as well as possible future missions to Europa and the Moon. Here we present a preliminary shear-wave splitting analysis of moonquakes detected by the Apollo Passive Seismic Experiment. Lunar seismic data suffers from several drawbacks compared to modern terrestrial data, including severe seismic scattering, low intrinsic attenuation, 10-bit data resolution, thermal spikes, and timing errors. Despite these drawbacks, we show that it is in principle possible to make a shear wave splitting measurement using the S-phase arrival of a relatively high-quality moonquake, as determined by several agreeing measurement criteria. Encouraged by this finding, we further extend our analysis to clusters of "deep moonquake" events by stacking multiple events from the same cluster together to further enhance the quality of the S-phase arrivals that the measurement is based on.

Numerical Modeling of 3D Seismic Wave Propagation around Yogyakarta, the Southern Part of Central Java, Indonesia, Using Spectral-Element Method on MPI-GPU Cluster

NASA Astrophysics Data System (ADS)

Sudarmaji; Rudianto, Indra; Eka Nurcahya, Budi

2018-04-01

A strong tectonic earthquake with a magnitude of 5.9 Richter scale has been occurred in Yogyakarta and Central Java on May 26, 2006. The earthquake has caused severe damage in Yogyakarta and the southern part of Central Java, Indonesia. The understanding of seismic response of earthquake among ground shaking and the level of building damage is important. We present numerical modeling of 3D seismic wave propagation around Yogyakarta and the southern part of Central Java using spectral-element method on MPI-GPU (Graphics Processing Unit) computer cluster to observe its seismic response due to the earthquake. The homogeneous 3D realistic model is generated with detailed topography surface. The influences of free surface topography and layer discontinuity of the 3D model among the seismic response are observed. The seismic wave field is discretized using spectral-element method. The spectral-element method is solved on a mesh of hexahedral elements that is adapted to the free surface topography and the internal discontinuity of the model. To increase the data processing capabilities, the simulation is performed on a GPU cluster with implementation of MPI (Message Passing Interface).

Neuroimaging paradigms for tonotopic mapping (II): the influence of acquisition protocol.

PubMed

Langers, Dave R M; Sanchez-Panchuelo, Rosa M; Francis, Susan T; Krumbholz, Katrin; Hall, Deborah A

2014-10-15

Numerous studies on the tonotopic organisation of auditory cortex in humans have employed a wide range of neuroimaging protocols to assess cortical frequency tuning. In the present functional magnetic resonance imaging (fMRI) study, we made a systematic comparison between acquisition protocols with variable levels of interference from acoustic scanner noise. Using sweep stimuli to evoke travelling waves of activation, we measured sound-evoked response signals using sparse, clustered, and continuous imaging protocols that were characterised by inter-scan intervals of 8.8, 2.2, or 0.0 s, respectively. With regard to sensitivity to sound-evoked activation, the sparse and clustered protocols performed similarly, and both detected more activation than the continuous method. Qualitatively, tonotopic maps in activated areas proved highly similar, in the sense that the overall pattern of tonotopic gradients was reproducible across all three protocols. However, quantitatively, we observed substantial reductions in response amplitudes to moderately low stimulus frequencies that coincided with regions of strong energy in the scanner noise spectrum for the clustered and continuous protocols compared to the sparse protocol. At the same time, extreme frequencies became over-represented for these two protocols, and high best frequencies became relatively more abundant. Our results indicate that although all three scanning protocols are suitable to determine the layout of tonotopic fields, an exact quantitative assessment of the representation of various sound frequencies is substantially confounded by the presence of scanner noise. In addition, we noticed anomalous signal dynamics in response to our travelling wave paradigm that suggest that the assessment of frequency-dependent tuning is non-trivially influenced by time-dependent (hemo)dynamics when using sweep stimuli. Copyright © 2014. Published by Elsevier Inc.

Chemical bonding and the equilibrium composition of Grignard reagents in ethereal solutions.

PubMed

Henriques, André M; Barbosa, André G H

2011-11-10

A thorough analysis of the electronic structure and thermodynamic aspects of Grignard reagents and its associated equilibrium composition in ethereal solutions is performed. Considering methylmagnesium halides containing fluorine, chlorine, and bromine, we studied the neutral, charged, and radical species associated with their chemical equilibrium in solution. The ethereal solvents considered, tetrahydrofuran (THF) and ethyl ether (Et(2)O), were modeled using the polarizable continuum model (PCM) and also by explicit coordination to the Mg atoms in a cluster. The chemical bonding of the species that constitute the Grignard reagent is analyzed in detail with generalized valence bond (GVB) wave functions. Equilibrium constants were calculated with the DFT/M06 functional and GVB wave functions, yielding similar results. According to our calculations and existing kinetic and electrochemical evidence, the species R(•), R(-), (•)MgX, and RMgX(2)(-) must be present in low concentration in the equilibrium. We conclude that depending on the halogen, a different route must be followed to produce the relevant equilibrium species in each case. Chloride and bromide must preferably follow a "radical-based" pathway, and fluoride must follow a "carbanionic-based" pathway. These different mechanisms are contrasted against the available experimental results and are proven to be consistent with the existing thermodynamic data on the Grignard reagent equilibria.

Electrostatic solitary waves in current layers: from Cluster observations during a super-substorm to beam experiments at the LAPD

NASA Astrophysics Data System (ADS)

Pickett, J. S.; Chen, L.-J.; Santolík, O.; Grimald, S.; Lavraud, B.; Verkhoglyadova, O. P.; Tsurutani, B. T.; Lefebvre, B.; Fazakerley, A.; Lakhina, G. S.; Ghosh, S. S.; Grison, B.; Décréau, P. M. E.; Gurnett, D. A.; Torbert, R.; Cornilleau-Wehrlin, N.; Dandouras, I.; Lucek, E.

2009-06-01

Electrostatic Solitary Waves (ESWs) have been observed by several spacecraft in the current layers of Earth's magnetosphere since 1982. ESWs are manifested as isolated pulses (one wave period) in the high time resolution waveform data obtained on these spacecraft. They are thus nonlinear structures generated out of nonlinear instabilities and processes. We report the first observations of ESWs associated with the onset of a super-substorm that occurred on 24 August 2005 while the Cluster spacecraft were located in the magnetotail at around 18-19 RE and moving northward from the plasma sheet to the lobes. These ESWs were detected in the waveform data of the WBD plasma wave receiver on three of the Cluster spacecraft. The majority of the ESWs were detected about 5 min after the super-substorm onset during which time 1) the PEACE electron instrument detected significant field-aligned electron fluxes from a few 100 eV to 3.5 keV, 2) the EDI instrument detected bursts of field-aligned electron currents, 3) the FGM instrument detected substantial magnetic fluctuations and the presence of Alfvén waves, 4) the STAFF experiment detected broadband electric and magnetic waves, ion cyclotron waves and whistler mode waves, and 5) CIS detected nearly comparable densities of H+ and O+ ions and a large tailward H+ velocity. We compare the characteristics of the ESWs observed during this event to those created in the laboratory at the University of California-Los Angeles Plasma Device (LAPD) with an electron beam. We find that the time durations of both space and LAPD ESWs are only slightly larger than the respective local electron plasma periods, indicating that electron, and not ion, dynamics are responsible for generation of the ESWs. We have discussed possible mechanisms for generating the ESWs in space, including the beam and kinetic Buneman type instabilities and the acoustic instabilities. Future studies will examine these mechanisms in more detail using the space measurements as inputs to models, and better relate the ESW space measurements to the laboratory through PIC code models.

Triggered emissions close to the proton gyrofrequency seen by Cluster

NASA Astrophysics Data System (ADS)

Grison, Benjamin; Pickett, Jolene; Omura, Yoshiharu; Santolik, Ondrej; Decreau, Pierrette; Masson, Arnaud; Engebretson, Mark; Cornilleau-Wehrlin, Nicole; Robert, Patrick; Dandouras, Iannis

Electromagnetic ion cyclotron (EMIC) triggered emissions have been recently observed onboard the Cluster spacecraft close to the plasmapause in the equatorial region of the magnetosphere. These waves appear as "risers": electromagnetic structures that have a positive frequency drift with time, i.e., the EMIC analogue of rising frequency whistler mode triggered emissions and chorus waves. In our first results concerning the emission process based on a single event, these risers have the following properties: they propagate away from the direction of the magnetic equator, they have elliptical left-handed polarization corresponding to the transverse Alfven mode, and frequency drifts of about 30 mHz/s. These risers are not common in the Cluster data set. Nevertheless a few other events were found with similar properties. Another interesting preliminary result is the existence of risers with a polarization opposite that of the EMIC triggered emissions and which correspond to the fast magnetosonic mode.

Origin of the pre-tropical storm Debby (2006) African easterly wave-mesoscale convective system

NASA Astrophysics Data System (ADS)

Lin, Yuh-Lang; Liu, Liping; Tang, Guoqing; Spinks, James; Jones, Wilson

2013-05-01

The origins of the pre-Debby (2006) mesoscale convective system (MCS) and African easterly wave (AEW) and their precursors were traced back to the southwest Arabian Peninsula, Asir Mountains (AS), and Ethiopian Highlands (EH) in the vicinity of the ITCZ using satellite imagery, GFS analysis data and ARW model. The sources of the convective cloud clusters and vorticity perturbations were attributed to the cyclonic convergence of northeasterly Shamal wind and the Somali jet, especially when the Mediterranean High shifted toward east and the Indian Ocean high strengthened and its associated Somali jet penetrated farther to the north. The cyclonic vorticity perturbations were strengthened by the vorticity stretching associated with convective cloud clusters in the genesis region—southwest Arabian Peninsula. A conceptual model was proposed to explain the genesis of convective cloud clusters and cyclonic vorticity perturbations preceding the pre-Debby (2006) AEW-MCS system.

Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model.

PubMed

Chilkuri, Vijay Gopal; DeBeer, Serena; Neese, Frank

2017-09-05

Iron-sulfur (FeS) proteins are universally found in nature with actives sites ranging in complexity from simple monomers to multinuclear sites from two up to eight iron atoms. These sites include mononuclear (rubredoxins), dinuclear (ferredoxins and Rieske proteins), trinuclear (e.g., hydrogenases), and tetranuclear (various ferredoxins and high-potential iron-sulfur proteins). The electronic structure of the higher-nuclearity clusters is inherently extremely complex. Hence, it is reasonable to take a bottom-up approach in which clusters of increasing nuclearity are analyzed in terms of the properties of their lower nuclearity constituents. In the present study, the first step is taken by an in-depth analysis of mononuclear FeS systems. Two different FeS molecules with phenylthiolate and methylthiolate as ligands are studied in their oxidized and reduced forms using modern wave function-based ab initio methods. The ab initio electronic spectra and wave function are presented and analyzed in detail. The very intricate electronic structure-geometry relationship in these systems is analyzed using ab initio ligand field theory (AILFT) in conjunction with the angular overlap model (AOM) parametrization scheme. The simple AOM model is used to explain the effect of geometric variations on the electronic structure. Through a comparison of the ab initio computed UV-vis absorption spectra and the available experimental spectra, the low-energy part of the many-particle spectrum is carefully analyzed. We show ab initio calculated magnetic circular dichroism spectra and present a comparison with the experimental spectrum. Finally, AILFT parameters and the ab initio spectra are compared with those obtained experimentally to understand the effect of the increased covalency of the thiolate ligands on the electronic structure of FeS monomers.

The structure of DSM-IV-TR personality disorder diagnoses in NESARC: a reanalysis.

PubMed

Trull, Timothy J; Vergés, Alvaro; Wood, Phillip K; Sher, Kenneth J

2013-12-01

Cox, Clara, Worobec, and Grant (2012) recently presented results from a series of analyses aimed at identifying the factor structure underlying the DSM-IV-TR (APA, 2000) personality diagnoses assessed in the large NESARC study. Cox et al. (2012) concluded that the best fitting model was one that modeled three lower-order factors (the three clusters of PDs as outlined by DSM-IV-TR), which in turn loaded on a single PD higher-order factor. Our reanalyses of the NESARC Wave 1 and Wave 2 data for personality disorder diagnoses revealed that the best fitting model was that of a general PD factor that spans each of the ten DSM-IV PD diagnoses, and our reanalyses do not support the three-cluster hierarchical structure outlined by Cox et al. (2012) and DSM-IV-TR. Finally, we note the importance of modeling the Wave 2 assessment method factor in analyses of NESARC PD data.

Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry.

PubMed

Boguslawski, Katharina; Tecmer, Paweł

2017-12-12

Wave functions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach spectroscopic accuracy, however, the missing dynamic electron correlation effects that cannot be described by electron-pair states need to be included a posteriori. In this Article, we extend the previously presented perturbation theory models with an Antisymmetric Product of 1-reference orbital Geminal (AP1roG) reference function that allows us to describe both static/nondynamic and dynamic electron correlation effects. Specifically, our perturbation theory models combine a diagonal and off-diagonal zero-order Hamiltonian, a single-reference and multireference dual state, and different excitation operators used to construct the projection manifold. We benchmark all proposed models as well as an a posteriori Linearized Coupled Cluster correction on top of AP1roG against CR-CC(2,3) reference data for reaction energies of several closed-shell molecules that are extrapolated to the basis set limit. Moreover, we test the performance of our new methods for multiple bond breaking processes in the homonuclear N 2 , C 2 , and F 2 dimers as well as the heteronuclear BN, CO, and CN + dimers against MRCI-SD, MRCI-SD+Q, and CR-CC(2,3) reference data. Our numerical results indicate that the best performance is obtained from a Linearized Coupled Cluster correction as well as second-order perturbation theory corrections employing a diagonal and off-diagonal zero-order Hamiltonian and a single-determinant dual state. These dynamic corrections on top of AP1roG provide substantial improvements for binding energies and spectroscopic properties obtained with the AP1roG approach, while allowing us to approach chemical accuracy for reaction energies involving closed-shell species.

Energetics of halogen impurities in thorium dioxide

NASA Astrophysics Data System (ADS)

Kuganathan, Navaratnarajah; Ghosh, Partha S.; Arya, Ashok K.; Dey, Gautam K.; Grimes, Robin W.

2017-11-01

Defect energies for halogen impurity atoms (Cl, Br and I) in thoria are calculated using the generalized gradient approximation and projector augmented plane wave potentials under the framework of density functional theory. The energy to place a halogen atom at a pre-existing lattice site is the incorporation energy. Seven sites are considered: octahedral interstitial, O vacancy, Th vacancy, Th-O di-vacancy cluster (DV) and the three O-Th-O tri-vacancy cluster (NTV) configurations. For point defects and vacancy clusters, neutral and all possible defect charge states up to full formal charge are considered. The most favourable incorporation site for Cl is the singly charged positive oxygen vacancy while for Br and I it is the NTV1 cluster. By considering the energy to form the defect sites, solution energies are generated. These show that in both ThO2-x and ThO2 the most favourable solution equilibrium site for halides is the single positively charged oxygen vacancy (although in ThO2, I demonstrates the same solubility in the NTV1 and DV clusters). Solution energies are much lower in ThO2-x than in ThO2 indicating that stoichiometry is a significant factor in determining solubility. In ThO2, all three halogens are highly insoluble and in ThO2-x Br and I remain insoluble. Although ½Cl2 is soluble in ThO2-x alternative phases such as ZrCl4 exist which are of lower energy.

a Moessbauer Effect and Fenske-Hall Molecular Orbital Study of the Electronic Properties of Organoiron Clusters.

NASA Astrophysics Data System (ADS)

Buhl, Margaret Linn

The electronic properties of trinuclear iron, tetranuclear iron butterfly, iron-cobalt, and iron-copper clusters have been studied experimentally at 78K by the Mossbauer effect and theoretically by Fenske-Hall molecular orbital calculations. The Mossbauer effect isomer shift is very sensitive to the differences in the iron s-electron densities in these clusters and, as expected, decreases as the sum of the iron 4s Mulliken population and the Clementi and Raimondi effective nuclear charge increases. The molecular orbital wave functions and the Mulliken atomic charges are used to calculate the electric field gradient at the metal nuclei and the iron Mossbauer effect quadrupole splittings. The valence contribution was found to be the major component of the electric field gradient in all the clusters studied. In general the calculated value of Delta E_ {Q} is larger than the observed value, as a result of neglect of the valence Sternheimer factor, R. The metal charge depends upon its electronegativity and upon the nature of its Lewis base ligands. The carbonyl ligand carbon charge becomes more positive as the metal electronegativity increases. The oxygen charge becomes more negative as the anionic cluster charge increases, and in so doing, yields the maximum anionic charge separation. The electronic properties of the terminal carbonyl ligands are similar to those of carbon monoxide, whereas the electronic properties of the bridging carbonyl ligands are similar to those of the carbonyl group found in aldehydes and ketones.

Comparing exposure metrics for classifying ‘dangerous heat’ in heat wave and health warning systems

PubMed Central

Zhang, Kai; Rood, Richard B.; Michailidis, George; Oswald, Evan M.; Schwartz, Joel D.; Zanobetti, Antonella; Ebi, Kristie L.; O’Neill, Marie S.

2012-01-01

Heat waves have been linked to excess mortality and morbidity, and are projected to increase in frequency and intensity with a warming climate. This study compares exposure metrics to trigger heat wave and health warning systems (HHWS), and introduces a novel multi-level hybrid clustering method to identify potential dangerously hot days. Two-level and three-level hybrid clustering analysis as well as common indices used to trigger HHWS, including spatial synoptic classification (SSC); and 90th, 95th, and 99th percentiles of minimum and relative minimum temperature (using a 10 day reference period), were calculated using a summertime weather dataset in Detroit from 1976 to 2006. The days classified as ‘hot’ with hybrid clustering analysis, SSC, minimum and relative minimum temperature methods differed by method type. SSC tended to include the days with, on average, 2.6 °C lower daily minimum temperature and 5.3 °C lower dew point than days identified by other methods. These metrics were evaluated by comparing their performance in predicting excess daily mortality. The 99th percentile of minimum temperature was generally the most predictive, followed by the three-level hybrid clustering method, the 95th percentile of minimum temperature, SSC and others. Our proposed clustering framework has more flexibility and requires less substantial meteorological prior information than the synoptic classification methods. Comparison of these metrics in predicting excess daily mortality suggests that metrics thought to better characterize physiological heat stress by considering several weather conditions simultaneously may not be the same metrics that are better at predicting heat-related mortality, which has significant implications in HHWSs. PMID:22673187

First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths.

PubMed

Pechkis, Daniel L; Walter, Eric J; Krakauer, Henry

2011-09-21

First-principles density functional theory oxygen chemical shift tensors were calculated for A(B,B')O(3) perovskite alloys Pb(Zr(1/2)Ti(1/2))O(3) (PZT) and Pb(Mg(1/3)Nb(2/3))O(3) (PMN). Quantum chemistry methods for embedded clusters and the gauge including projector augmented waves (GIPAW) method [C. J. Pickard and F. Mauri, Phys. Rev. B 63, 245101 (2001)] for periodic boundary conditions were used. Results from both methods are in good agreement for PZT and prototypical perovskites. PMN results were obtained using only GIPAW. Both isotropic δ(iso) and axial δ(ax) chemical shifts were found to vary approximately linearly as a function of the nearest-distance transition-metal/oxygen bond length, r(s). Using these results, we argue against Ti clustering in PZT, as conjectured from recent (17)O NMR magic-angle-spinning measurements. Our findings indicate that (17)O NMR measurements, coupled with first-principles calculations, can be an important probe of local structure in complex perovskite solid solutions.

First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr1/2Ti1/2)O3 and Pb(Mg1/3Nb2/3)O3: Linear dependence on transition-metal/oxygen bond lengths

NASA Astrophysics Data System (ADS)

Pechkis, Daniel L.; Walter, Eric J.; Krakauer, Henry

2011-09-01

First-principles density functional theory oxygen chemical shift tensors were calculated for A(B,B')O3 perovskite alloys Pb(Zr1/2Ti1/2)O3 (PZT) and Pb(Mg1/3Nb2/3)O3 (PMN). Quantum chemistry methods for embedded clusters and the gauge including projector augmented waves (GIPAW) method [C. J. Pickard and F. Mauri, Phys. Rev. B 63, 245101 (2001)], 10.1103/PhysRevB.63.245101 for periodic boundary conditions were used. Results from both methods are in good agreement for PZT and prototypical perovskites. PMN results were obtained using only GIPAW. Both isotropic δiso and axial δax chemical shifts were found to vary approximately linearly as a function of the nearest-distance transition-metal/oxygen bond length, rs. Using these results, we argue against Ti clustering in PZT, as conjectured from recent 17O NMR magic-angle-spinning measurements. Our findings indicate that 17O NMR measurements, coupled with first-principles calculations, can be an important probe of local structure in complex perovskite solid solutions.

Analytic approximation for random muffin-tin alloys

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

Mills, R.; Gray, L.J.; Kaplan, T.

1983-03-15

The methods introduced in a previous paper under the name of ''traveling-cluster approximation'' (TCA) are applied, in a multiple-scattering approach, to the case of a random muffin-tin substitutional alloy. This permits the iterative part of a self-consistent calculation to be carried out entirely in terms of on-the-energy-shell scattering amplitudes. Off-shell components of the mean resolvent, needed for the calculation of spectral functions, are obtained by standard methods involving single-site scattering wave functions. The single-site TCA is just the usual coherent-potential approximation, expressed in a form particularly suited for iteration. A fixed-point theorem is proved for the general t-matrix TCA, ensuringmore » convergence upon iteration to a unique self-consistent solution with the physically essential Herglotz properties.« less

Cluster observations of Shear-mode surface waves diverging from Geomagnetic Tail reconnection

NASA Astrophysics Data System (ADS)

Dai, L.; Wygant, J. R.; Dombeck, J. P.; Cattell, C. A.; Thaller, S. A.; Mouikis, C.; Balogh, A.; Reme, H.

2010-12-01

We present the first Cluster spacecraft study of the intense (δB/B~0.5, δE/VAB~0.5) equatorial plane surface waves diverging from magnetic reconnection in the geomagnetic tail at ~17 Re. Using phase lag analysis with multi-spacecraft measurements, we quantitatively determine the wavelength and phase velocity of the waves with spacecraft frame frequencies from 0.03 Hz to 1 Hz and wavelengths from much larger (4Re) than to comparable to the H+ gyroradius (~300km). The phase velocities track the strong variations in the equatorial plane projection of the reconnection outflow velocity perpendicular to the magnetic field. The propagation direction and wavelength of the observed surface waves resemble those of flapping waves of the magnetotail current sheet, suggesting a same origin shared by both of these waves. The observed waves appear ubiquitous in the outflows near magnetotail reconnection. Evidence is found that the observed waves are associated with velocity shear in reconnection outflows. Analysis shows that observed waves are associated with strong field-aligned Alfvenic Poynting flux directed away from the reconnection region toward Earth. These observations present a scenario in which the observed surface waves are driven and convected through a velocity-shear type instability by high-speed (~1000km) reconnection outflows tending to slow down due to power dissipation through Poynting flux. The mapped Poynting flux (100ergs/cm2s) and longitudinal scales (10-100 km) to 100km altitude suggest that the observed waves and their motions are an important boundary condition for night-side aurora. Figure: a) The BX-GSM in the geomagnetic tail current sheet. b) The phase difference wavelet spectrum between Bz_GSM from SC2 and SC3, used to determine the wave phase velocity, is correlated with the reconnection outflow velocity (represented by H+ VX-GSM) c) The spacecraft trajectory through magnetotail reconnection. d) The observed equatorial plane surface wave propagating outward from reconnection region.

Influence of halogenides on luminescence from silver molecular clusters in photothermorefractive glasses

NASA Astrophysics Data System (ADS)

Dubrovin, V. D.; Ignat'ev, A. I.; Nikonorov, N. V.; Sidorov, A. I.

2014-05-01

It is shown experimentally that a rise in the sodium halogenide (NaCl, NaBr) concentration in photothermorefractive glasses increases the intensity of luminescence from silver neutral molecular clusters. Substitution of NaBr for NaCl with their concentration being the same shifts the luminescence band toward longer waves and raises its intensity. These findings can be explained by the formation of molecular clusters of type Ag n -Hal (Hal = Cl, Br) in photothermorefractive glass.

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

NASA Astrophysics Data System (ADS)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

Seismic structure beneath the Tengchong volcanic area (southwest China) from receiver function analysis

NASA Astrophysics Data System (ADS)

Xu, Yi; Li, Xuelei; Wang, Sheng

2018-05-01

Tengchong is a young volcanic area on the collision boundary between the Indian and Euro-Asian plates of the southeastern Tibetan margin. Holocene volcanoes are concentrated in the Tengchong basin, where they align an N-S trending string-like cluster. To study the magma activity and its relation with the volcanoes, we deployed a passive seismic observation across the volcanic area in northern Tengchong. Using tele-seismic data and receiver function technique, we determined the S-wave velocity structure beneath nine temporary stations. Results show that the Tengchong basin is underlain by prominent low-velocity zones that are associated with the magma chambers of the volcanoes. In the north, a small and less pronounced magma chamber lies beneath two crater lakes, with a depth range of 9-16 km and a lateral width of <8 km. To the south, an interconnected magma chamber is found between the Dayingshan (DYS) volcano and the Dakongshan (DKS) volcanic cluster, with a depth range of 6-15 km and a lateral width of <12 km. In the south, the Laoguipo (LGP) volcano is characterized by anomalous low velocities throughout the upper-mid crust. Combined with other studies, we infer that the DYS volcano shares the same magma chamber with the DKS volcanic cluster, whereas the heat flow beneath the LGP volcano belongs to another thermal system, probably relating to the magma activity beneath the Rehai geothermal field in the south or affected by the intersection between the Tengchong volcanic fault zone and the Dayingjiang fault zone. In addition, mantle intrusion has resulted in the Moho elevation beneath the DKS volcanic cluster, and the thick transition zones on the crust-mantle boundary imply a possible penetration of the heat flow from the uppermost mantle into the lower crust.

Yields of Soviet underground nuclear explosions at Novaya Zemlya, 1964-1976, from seismic body and surface waves

PubMed Central

Sykes, Lynn R.; Wiggins, Graham C.

1986-01-01

Surface and body wave magnitudes are determined for 15 U.S.S.R. underground nuclear weapons tests conducted at Novaya Zemlya between 1964 and 1976 and are used to estimate yields. These events include the largest underground explosions detonated by the Soviet Union. A histogram of body wave magnitude (mb) values indicates a clustering of explosions at a few specific yields. The most pronounced cluster consists of six explosions of yield near 500 kilotons. Several of these seem to be tests of warheads for major strategic systems that became operational in the late 1970s. The largest Soviet underground explosion is estimated to have a yield of 3500 ± 600 kilotons, somewhat smaller than the yield of the largest U.S. underground test. A preliminary estimation of the significance of tectonic release is made by measuring the amplitude of Love waves. The bias in mb for Novaya Zemlya relative to the Nevada test site is about 0.35, nearly identical to that of the eastern Kazakhstan test site relative to Nevada. PMID:16593645

Standing waves, clustering, and phase waves in 1D simulations of kinetic relaxation oscillations in NO+NH 3 on Pt(1 0 0) coupled by diffusion

NASA Astrophysics Data System (ADS)

Uecker, Hannes

2004-04-01

The Lombardo-Imbihl-Fink (LFI) ODE model of the NO+NH 3 reaction on a Pt(1 0 0) surface shows stable relaxation oscillations with very sharp transitions for temperatures T between 404 and 433 K. Here we study numerically the effect of linear diffusive coupling of these oscillators in one spatial dimension. Depending on the parameters and initial conditions we find a rich variety of spatio-temporal patterns which we group into four main regimes: bulk oscillations (BOs), standing waves (SW), phase clusters (PC), and phase waves (PW). Two key ingredients for SW and PC are identified, namely the relaxation type of the ODE oscillations and a nonlocal (and nonglobal) coupling due to relatively fast diffusion of the kinetically slaved variables NH 3 and H. In particular, the latter replaces the global coupling through the gas phase used to obtain SW and PC in models of related surface reactions. The PW exist only under the assumption of (relatively) slow diffusion of NH 3 and H.

Dielectric function for doped graphene layer with barium titanate

NASA Astrophysics Data System (ADS)

Martinez Ramos, Manuel; Garces Garcia, Eric; Magana, Fernado; Vazquez Fonseca, Gerardo Jorge

2015-03-01

The aim of our study is to calculate the dielectric function for a system formed with a graphene layer doped with barium titanate. Density functional theory, within the local density approximation, plane-waves and pseudopotentials scheme as implemented in Quantum Espresso suite of programs was used. We considered 128 carbon atoms with a barium titanate cluster of 11 molecules as unit cell with periodic conditions. The geometry optimization is achieved. Optimization of structural configuration is performed by relaxation of all atomic positions to minimize their total energies. Band structure, density of states and linear optical response (the imaginary part of dielectric tensor) were calculated. We thank Dirección General de Asuntos del Personal Académico de la Universidad Nacional Autónoma de México, partial financial support by Grant IN-106514 and we also thank Miztli Super-Computing center the technical assistance.

Van Allen Probes, THEMIS, GOES, and cluster observations of EMIC waves, ULF pulsations, and an electron flux dropout

DOE PAGES

Sigsbee, K.; Kletzing, C. A.; Smith, C. W.; ...

2016-03-04

We examined an electron flux dropout during the 12–14 November 2012 geomagnetic storm using observations from seven spacecraft: the two Van Allen Probes, Time History of Events and Macroscale Interactions during Substorms (THEMIS)-A (P5), Cluster 2, and Geostationary Operational Environmental Satellites (GOES) 13, 14, and 15. The electron fluxes for energies greater than 2.0 MeV observed by GOES 13, 14, and 15 at geosynchronous orbit and by the Van Allen Probes remained at or near instrumental background levels for more than 24 h from 12 to 14 November. For energies of 0.8 MeV, the GOES satellites observed two shorter intervalsmore » of reduced electron fluxes. The first interval of reduced 0.8 MeV electron fluxes on 12–13 November was associated with an interplanetary shock and a sudden impulse. Cluster, THEMIS, and GOES observed intense He + electromagnetic ion cyclotron (EMIC) waves from just inside geosynchronous orbit out to the magnetopause across the dayside to the dusk flank. The second interval of reduced 0.8 MeV electron fluxes on 13–14 November was associated with a solar sector boundary crossing and development of a geomagnetic storm with Dst <–100 nT. At the start of the recovery phase, both the 0.8 and 2.0 MeV electron fluxes finally returned to near prestorm values, possibly in response to strong ultralow frequency (ULF) waves observed by the Van Allen Probes near dawn. A combination of adiabatic effects, losses to the magnetopause, scattering by EMIC waves, and acceleration by ULF waves can explain the observed electron behavior.« less

Van Allen Probes, THEMIS, GOES, and Cluster Observations of EMIC Waves, ULF Pulsations, and an Electron Flux Dropout

NASA Technical Reports Server (NTRS)

Sigsbee, K.; Kletzing, C. A.; Smith, C. W.; Macdowall, R.; Spence, H.; Reeves, G.; Blake, J. B.; Baker, D. N.; Green, J. C.; Singer, H. J.;

Van Allen Probes, THEMIS, GOES, and cluster observations of EMIC waves, ULF pulsations, and an electron flux dropout

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

Sigsbee, K.; Kletzing, C. A.; Smith, C. W.

We examined an electron flux dropout during the 12–14 November 2012 geomagnetic storm using observations from seven spacecraft: the two Van Allen Probes, Time History of Events and Macroscale Interactions during Substorms (THEMIS)-A (P5), Cluster 2, and Geostationary Operational Environmental Satellites (GOES) 13, 14, and 15. The electron fluxes for energies greater than 2.0 MeV observed by GOES 13, 14, and 15 at geosynchronous orbit and by the Van Allen Probes remained at or near instrumental background levels for more than 24 h from 12 to 14 November. For energies of 0.8 MeV, the GOES satellites observed two shorter intervalsmore » of reduced electron fluxes. The first interval of reduced 0.8 MeV electron fluxes on 12–13 November was associated with an interplanetary shock and a sudden impulse. Cluster, THEMIS, and GOES observed intense He + electromagnetic ion cyclotron (EMIC) waves from just inside geosynchronous orbit out to the magnetopause across the dayside to the dusk flank. The second interval of reduced 0.8 MeV electron fluxes on 13–14 November was associated with a solar sector boundary crossing and development of a geomagnetic storm with Dst <–100 nT. At the start of the recovery phase, both the 0.8 and 2.0 MeV electron fluxes finally returned to near prestorm values, possibly in response to strong ultralow frequency (ULF) waves observed by the Van Allen Probes near dawn. A combination of adiabatic effects, losses to the magnetopause, scattering by EMIC waves, and acceleration by ULF waves can explain the observed electron behavior.« less

4He+n+n continuum within an ab initio framework

DOE PAGES

Romero-Redondo, Carolina; Quaglioni, Sofia; Navratil, Petr; ...

2014-07-16

In this study, the low-lying continuum spectrum of the 6He nucleus is investigated for the first time within an ab initio framework that encompasses the 4He+n+n three-cluster dynamics characterizing its lowest decay channel. This is achieved through an extension of the no-core shell model combined with the resonating-group method, in which energy-independent nonlocal interactions among three nuclear fragments can be calculated microscopically, starting from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with three-body scattering boundary conditions by means of the hyperspherical-harmonics method on a Lagrange mesh. Using amore » soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we find the known J π = 2 + resonance as well as a result consistent with a new low-lying second 2 + resonance recently observed at GANIL at ~2.6 MeV above the He6 ground state. We also find resonances in the 2 –, 1 +, and 0 – channels, while no low-lying resonances are present in the 0 + and 1 – channels.« less

Cluster states and container picture in light nuclei, and triple-alpha reaction rate

NASA Astrophysics Data System (ADS)

Funaki, Yasuro

2015-04-01

The excited states in 12C are investigated by using an extended version of the so- called Tohsaki-Horiuchi-Schuck-Röpke (THSR) wave function, where both the 3α condensate and 8Be + α cluster asymptotic configurations are included. We focus on the structures of the “Hoyle band” states, 2+2, and 4+2 states, which are recently observed above the Hoyle state, and of the 0+3 and 0+4 states, which are also quite recently identified in experiment. We show that the Hoyle band is not simply considered to be the 8Be(0+) + α rotation as suggested by previous cluster model calculations, nor to be a rotation of a rigid-body triangle-shaped object composed of the 3α particles. We also discuss the rate of the triple-alpha radiative capture reaction, applyng the imaginary-time method. Results of the triple-alpha reaction rate are consistent with NACRE rate for both high (≈ 109K) and low (≈ 107 K) temperatures. We show that the rate of the imaginary-time calculation in coupled-channels approach has a large enhancement for low temperatures if we truncate the number of channels.

Aspects of Scale Invariance in Physics and Biology

NASA Astrophysics Data System (ADS)

Alba, Vasyl

We study three systems that have scale invariance. The first system is a conformal field theory in d > 3 dimensions. We prove that if there is a unique stress-energy tensor and at least one higher-spin conserved current in the theory, then the correlation functions of the stress-energy tensors and the conserved currents of higher-spin must coincide with one of the following possibilities: a) a theory of n free bosons, b) a theory of n free fermions or c) a theory of n (d-2)/2-forms. The second system is the primordial gravitational wave background in a theory with inflation. We show that the scale invariant spectrum of primordial gravitational waves is isotropic only in the zero-order approximation, and it gets a small correction due to the primordial scalar fluctuations. When anisotropy is measured experimentally, our result will allow us to distinguish between different inflationary models. The third system is a biological system. The question we are asking is whether there is some simplicity or universality underlying the complexities of natural animal behavior. We use the walking fruit fly (Drosophila melanogaster) as a model system. Based on the result that unsupervised flies' behaviors can be categorized into one hundred twenty-two discrete states (stereotyped movements), which all individuals from a single species visit repeatedly, we demonstrated that the sequences of states are strongly non-Markovian. In particular, correlations persist for an order of magnitude longer than expected from a model of random state-to-state transitions. The correlation function has a power-law decay, which is a hint of some kind of criticality in the system. We develop a generalization of the information bottleneck method that allows us to cluster these states into a small number of clusters. This more compact description preserves a lot of temporal correlation. We found that it is enough to use a two-cluster representation of the data to capture long-range correlations, which opens a way for a more quantitative description of the system. Usage of the maximal entropy method allowed us to find a description that closely resembles a famous inverse-square Ising model in 1d in a small magnetic field.

Flapping current sheet with superposed waves seen in space and on the ground

NASA Astrophysics Data System (ADS)

Wang, G. Q.; Volwerk, M.; Nakamura, R.; Boakes, P.; Zhang, T. L.; Yoshikawa, A.; Baishev, D. G.

2014-12-01

A wavy current sheet event observed on 15 October 2004 between 1235 and 1300 UT has been studied by using Cluster and ground-based magnetometer data. Waves propagating from the tail center to the duskside flank with a period ~30 s and wavelength ~1 RE are superimposed on a flapping current sheet, accompanied with a bursty bulk flow. Three Pi2 pulsations, with onset at ~1236, ~1251, and ~1255 UT, respectively, are observed at the Tixie station located near the foot points of Cluster. The mechanism creating the Pi2 (period ~40 s) onset at ~1236 UT is unclear. The second Pi2 (period ~90 s, onset at ~1251 UT) is associated with a strong field-aligned current, which has a strong transverse component of the magnetic field, observed by Cluster with a time delay ~60 s. We suggest that it is caused by bouncing Alfvén waves between the northern and southern ionosphere which transport the field-aligned current. For the third Pi2 (period ~60 s) there is almost no damping at the first three periods. They occur in conjunction with periodic field-aligned currents one-on-one with 72 s delay. We suggest that it is generated by these periodic field-aligned currents. We conclude that the strong field-aligned currents generated in the plasma sheet during flapping with superimposed higher-frequency waves can drive Pi2 pulsations on the ground, and periodic field-aligned currents can even control the period of the Pi2s.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.

PubMed

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

2017-04-28

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N 6 ) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

NASA Astrophysics Data System (ADS)

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank

2017-04-01

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

Acceleration of Magnetospheric Relativistic Electrons by Ultra-Low Frequency Waves: A Comparison between Two Cases Observed by Cluster and LANL Satellites

NASA Technical Reports Server (NTRS)

Shao, X.; Fung, S. F.; Tan, L. C.; Sharma, A. S.

2010-01-01

Understanding the origin and acceleration of magnetospheric relativistic electrons (MREs) in the Earth's radiation belt during geomagnetic storms is an important subject and yet one of outstanding questions in space physics. It has been statistically suggested that during geomagnetic storms, ultra-low-frequency (ULF) Pc-5 wave activities in the magnetosphere are correlated with order of magnitude increase of MRE fluxes in the outer radiation belt. Yet, physical and observational understandings of resonant interactions between ULF waves and MREs remain minimum. In this paper, we show two events during storms on September 25, 2001 and November 25, 2001, the solar wind speeds in both cases were > 500 km/s while Cluster observations indicate presence of strong ULF waves in the magnetosphere at noon and dusk, respectively, during a approx. 3-hour period. MRE observations by the Los Alamos (LANL) spacecraft show a quadrupling of 1.1-1.5 MeV electron fluxes in the September 25, 2001 event, but only a negligible increase in the November 2.5, 2001 event. We present a detailed comparison between these two events. Our results suggest that the effectiveness of MRE acceleration during the September 25, 2001 event can be attributed to the compressional wave mode with strong ULF wave activities and the physical origin of MRE acceleration depends more on the distribution of toroidal and poloidal ULF waves in the outer radiation belt.

A model for the Lin-Shu type density-wave structure of our Galaxy: Line-of-sight and transverse-longitudinal velocities of 242 optically visible open clusters

NASA Astrophysics Data System (ADS)

Griv, E.; Jiang, I.-G.

2015-02-01

In this paper, the fourth in a series, we examine again one of the implications of the Lin-Shu density-wave theory, specifically, the noncircular systematic motion of the Galactic objects. Our previous investigation is extended by analyzing simultaneously both the line-of-sight and transversal velocities of a sample of open clusters for which velocities, distances and ages are available. The ordinary equations of the Oort-Lindblad theory of galactic differential rotation are used. The minor effects caused by the two-dimensional tightly-wound density waves are also taken into account. The published data of 242 currently known optically visible clusters having distances r<3 kpc from the Sun and -200 < z <200 pc from the Galactic plane, and ages 2 × 108 < t < 2 × 109 yr are collected from Dias et al. (2014), excluding extremely far, high-velocity, young and old objects in our fitting. The most noteworthy result is the fact that the parameters of Lin-Shu type density waves estimated from two independent line-of-sight and transversal along the Galactic longitude velocities are nearly equal. We argue that the resemblance of these Galactic wave structures is so remarkable that no doubt is felt as to the theory's truth with respect to these data. The results obtained allow us to conclude that several low-m trailing density-wave patterns with different number of spiral arms m (say, m=1, 2, 3, and 4), pitch angles (about 5o, 8o, 11o, and 14o, respectively) and amplitudes of the perturbed gravitational potential may coexist in the Galaxy. The latter suggests the asymmetric multiarm, not well-organized (``flocculent'') spiral structure of the system. In memory of Professors Alexei M. Fridman (1940-2010) and Chi Yuan (1937-2008)

Wave function for harmonically confined electrons in time-dependent electric and magnetostatic fields.

PubMed

Zhu, Hong-Ming; Chen, Jin-Wang; Pan, Xiao-Yin; Sahni, Viraht

2014-01-14

We derive via the interaction "representation" the many-body wave function for harmonically confined electrons in the presence of a magnetostatic field and perturbed by a spatially homogeneous time-dependent electric field-the Generalized Kohn Theorem (GKT) wave function. In the absence of the harmonic confinement - the uniform electron gas - the GKT wave function reduces to the Kohn Theorem wave function. Without the magnetostatic field, the GKT wave function is the Harmonic Potential Theorem wave function. We further prove the validity of the connection between the GKT wave function derived and the system in an accelerated frame of reference. Finally, we provide examples of the application of the GKT wave function.

Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.

PubMed

Mooßen, Oliver; Dolg, Michael

2016-06-09

The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce-C and Ce-O stretching frequencies at the DFT, CASSCF, second-order Rayleigh-Schrödinger perturbation theory (RS2C), multireference configuration interaction (MRCI), as well as single, doubles, and perturbative triples coupled cluster (CCSD(T)) level are reported and compared to experimental infrared absorption data in a Ne and Ar matrix.

Adaptive clustering procedure for continuous gravitational wave searches

NASA Astrophysics Data System (ADS)

Singh, Avneet; Papa, Maria Alessandra; Eggenstein, Heinz-Bernd; Walsh, Sinéad

2017-10-01

In hierarchical searches for continuous gravitational waves, clustering of candidates is an important post-processing step because it reduces the number of noise candidates that are followed up at successive stages [J. Aasi et al., Phys. Rev. Lett. 88, 102002 (2013), 10.1103/PhysRevD.88.102002; B. Behnke, M. A. Papa, and R. Prix, Phys. Rev. D 91, 064007 (2015), 10.1103/PhysRevD.91.064007; M. A. Papa et al., Phys. Rev. D 94, 122006 (2016), 10.1103/PhysRevD.94.122006]. Previous clustering procedures bundled together nearby candidates ascribing them to the same root cause (be it a signal or a disturbance), based on a predefined cluster volume. In this paper, we present a procedure that adapts the cluster volume to the data itself and checks for consistency of such volume with what is expected from a signal. This significantly improves the noise rejection capabilities at fixed detection threshold, and at fixed computing resources for the follow-up stages, this results in an overall more sensitive search. This new procedure was employed in the first Einstein@Home search on data from the first science run of the advanced LIGO detectors (O1) [LIGO Scientific Collaboration and Virgo Collaboration, arXiv:1707.02669 [Phys. Rev. D (to be published)

A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

NASA Astrophysics Data System (ADS)

Gothandaraman, Akila; Peterson, Gregory D.; Warren, G. Lee; Hinde, Robert J.; Harrison, Robert J.

2009-12-01

Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of properties, namely energy and trial wave function, onto reconfigurable hardware. This gives a user the capability to run simulations for a large number of iterations, thereby reducing the statistical uncertainty in the properties, and for larger clusters. This framework is designed to run on the Cray XD1 high performance reconfigurable computing platform, which exploits the coarse-grained parallelism of the processor along with the fine-grained parallelism of the reconfigurable computing devices available in the form of field-programmable gate arrays. In this paper, we illustrate the functioning of the framework, which can be used to calculate the energies for a model cluster of helium atoms. In addition, we present the capabilities of the framework that allow the user to vary the chemical identities of the simulated atoms. Program summaryProgram title: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue identifier: AEEP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 691 537 No. of bytes in distributed program, including test data, etc.: 5 031 226 Distribution format: tar.gz Programming language: C/C++ for the QMC application, VHDL and Xilinx 8.1 ISE/EDK tools for FPGA design and development Computer: Cray XD1 consisting of a dual-core, dualprocessor AMD Opteron 2.2 GHz with a Xilinx Virtex-4 (V4LX160) or Xilinx Virtex-II Pro (XC2VP50) FPGA per node. We use the compute node with the Xilinx Virtex-4 FPGA Operating system: Red Hat Enterprise Linux OS Has the code been vectorised or parallelized?: Yes Classification: 6.1 Nature of problem: Quantum Monte Carlo is a practical method to solve the Schrödinger equation for large many-body systems and obtain the ground-state properties of such systems. This method involves the sampling of a number of configurations of atoms and averaging the properties of the configurations over a number of iterations. We are interested in applying the QMC method to obtain the energy and other properties of highly quantum clusters, such as inert gas clusters. Solution method: The proposed framework provides a combined hardware-software approach, in which the QMC simulation is performed on the host processor, with the computationally intensive functions such as energy and trial wave function computations mapped onto the field-programmable gate array (FPGA) logic device attached as a co-processor to the host processor. We perform the QMC simulation for a number of iterations as in the case of our original software QMC approach, to reduce the statistical uncertainty of the results. However, our proposed HAQMC framework accelerates each iteration of the simulation, by significantly reducing the time taken to calculate the ground-state properties of the configurations of atoms, thereby accelerating the overall QMC simulation. We provide a generic interpolation framework that can be extended to study a variety of pure and doped atomic clusters, irrespective of the chemical identities of the atoms. For the FPGA implementation of the properties, we use a two-region approach for accurately computing the properties over the entire domain, employ deep pipelines and fixed-point for all our calculations guaranteeing the accuracy required for our simulation.

Quasi-monochromatic ULF foreshock waves as observed by the four-spacecraft Cluster mission: 2. Oblique propagation

NASA Astrophysics Data System (ADS)

Eastwood, J. P.; Balogh, A.; Lucek, E. A.; Mazelle, C.; Dandouras, I.

2005-11-01

This paper presents the results of a statistical investigation into the nature of oblique wave propagation in the foreshock. Observations have shown that foreshock ULF waves tend to propagate obliquely to the background magnetic field. This is in contrast to theoretical work, which predicts that the growth rate of the mechanism responsible for the waves is maximized for parallel propagation, at least in the linear regime in homogenous plasma. Here we use data from the Cluster mission to study in detail the oblique propagation of a particular class of foreshock ULF wave, the 30 s quasi-monochromatic wave. We find that these waves persistently propagate at oblique angles to the magnetic field. Over the whole data set, the average value of θkB was found to be 21 ± 14°. Oblique propagation is observed even when the interplanetary magnetic field (IMF) cone angle is small, such that the convective component of the solar wind velocity, vE×B, is comparable to the wave speed. In this subset of the data, the mean value of θkB was 12.9 ± 7.1°. In the subset of data for which the IMF cone angle exceeded 45°, the mean value of θkB was 19.5 ± 10.7°. When the angle between the IMF and the x geocentric solar ecliptic (GSE) direction (i.e., the solar wind vector) is large, the wave k vectors tend to be confined in the plane defined by the x GSE direction and the magnetic field and a systematic deflection is observed. The dependence of θkB on vE×B is also studied.

Low-Frequency VLA Observations of Abell 754: Evidence for a Cluster Radio Halo and Possible Radio Relics

DTIC Science & Technology

2001-10-01

core passage of the dark matter subcluster, was not violent enough to produce a shock wave in the dense main cluster core. The core was only...such as Chandra. At later merger stages, turbulent gas motion, which is stirred by violently relaxing dark matter cores, should have erased many of

On the bonding mechanism of CO to Pt(111) and its effect on the vibrational frequency of chemisorbed CO

NASA Astrophysics Data System (ADS)

Illas, F.; Zurita, S.; Márquez, A. M.; Rubio, J.

1997-04-01

The chemisorption of CO on the atop site of Pt(111) has been simulated by a Pt4 cluster model. Ab initio self consistent field (SCF) and complete active space self consistent field (CASSCF) cluster model wave functions have been obtained for the electronic ground state. Likewise, ab initio SCF wavefunctions have been obtained for two other electronic states. The optimum geometry and vibrational frequencies of chemisorbed CO are reported for the three states. The interaction energy and vibrational shift of chemisorbed CO, with respect to free gas phase CO, have been analyzed for the three electronic states. This analysis is carried out by means of the constrained space orbital variation (CSOV) method. In all cases the bond is found to be dominated by σ donation and π back-donation, known as Blyholder's mechanism. This mechanism is further supported by SCF calculations on a larger, Pt13, cluster model. For both clusters, the CSOV analysis of the vibrational frequency definitely shows that, contrary to previous recent studies, a major contribution to the experimentally observed vibrational shift comes from the π back-donation mechanism. However, we found that, contrary to common belief, σ donation also acts to lower the CO frequency and not to increase it. Physical reasons for such unexpected behaviour are given.

A quasiparticle-based multi-reference coupled-cluster method.

PubMed

Rolik, Zoltán; Kállay, Mihály

2014-10-07

The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.

Azimuthally Anisotropic Global Adjoint Tomography

NASA Astrophysics Data System (ADS)

Bozdag, E.; Orsvuran, R.; Lefebvre, M. P.; Lei, W.; Peter, D. B.; Ruan, Y.; Smith, J. A.; Komatitsch, D.; Tromp, J.

2017-12-01

Earth's upper mantle shows significant evidence of anisotropy as a result of its composition and deformation. After the first-generation global adjoint tomography model, GLAD-M15 (Bozdag et al. 2016), which has transverse isotropy confined to upper mantle, we continue our iterations including surface-wave azimuthal anisotropy with an emphasis on the upper mantle. We are focusing on four elastic parameters that surface waves are known to be most sensitive to, namely, vertically and horizontally polarized shear waves and the density-normalised anisotropic parameters Gc' & Gs'. As part of the current anisotropic inversions, which will lead to our "second-generation" global adjoint tomography model, we have started exploring new misfits based on a double-difference approach (Yuan et al. 2016). We define our misfit function in terms of double-difference multitaper measurements, where each waveform is normalized by its number of pairs in the period ranges 45-100 s & 90-250 s. New measurements result in better balanced gradients while extracting more information underneath clusters of stations, such as USArray. Our initial results reveals multi-scale anisotorpic signals depending on ray (kernel) coverage close to continental-scale resolution in areas with dense coverage, consistent with previous studies.

Luminous phenomena and electromagnetic VHF wave emission originated from earthquake-related radon exhalation

NASA Astrophysics Data System (ADS)

Seki, A.; Tobo, I.; Omori, Y.; Muto, J.; Nagahama, H.

2013-12-01

Anomalous luminous phenomena and electromagnetic wave emission before or during earthquakes have been reported (e.g., the 1965 Matsushiro earthquake swarm). However, their mechanism is still unsolved, in spite of many models for these phenomena. Here, we propose a new model about luminous phenomena and electromagnetic wave emission during earthquake by focusing on atmospheric radon (Rn-222) and its daughter nuclides (Po-218 and Po-214). Rn-222, Po-218 and Po-214 are alpha emitters, and these alpha particles ionize atmospheric molecules. A light emission phenomenon, called 'the air luminescence', is caused by de-excitation of the ionized molecules of atmospheric nitrogen due to electron impact ionization from alpha particles. The de-excitation is from the second positive system of neutral nitrogen molecules and the first negative system of nitrogen molecule ion. Wavelengths of lights by these transitions include the visible light wavelength. So based on this mechanism, we proposed a new luminous phenomenon model before or during earthquake: 1. The concentration of atmospheric radon and its daughter nuclides increase anomalously before or during earthquakes, 2. Nitrogen molecules and their ions are excited by alpha particles emitted from Rn-222, Po-218 and Po-214, and air luminescence is generated by their de-excitation. Similarly, electromagnetic VHF wave emission can be explained by ionizing effect of radon and its daughter nuclides. Boyarchuk et al. (2005) proposed a model that electromagnetic VHF wave emission is originated when excited state of neutral clusters changes. Radon gas ionizes atmosphere and forms positively and negatively charged heavy particles. The process of ion hydration in ordinary air can be determined by the formation of complex chemically active structures of the various types of ion radicals. As a result of the association of such hydration radical ions, a neutral cluster, which is dipole quasi-molecules, is formed. A neutral cluster's rotation-rotation transition causes electromagnetic VHF wave emission. We also discuss a possibility of electromagnetic VHF wave emission from excitation of polyatomic molecules by alpha particles from Rn-222 and its daughter nuclides, similar to air luminescence by excitation of nitrogen molecule in the viewpoint of electromagnetic radiation in quantum theory.

Combined Molecular and Spin Dynamics Simulation of Lattice Vacancies in BCC Iron

NASA Astrophysics Data System (ADS)

Mudrick, Mark; Perera, Dilina; Eisenbach, Markus; Landau, David P.

Using an atomistic model that treats translational and spin degrees of freedom equally, combined molecular and spin dynamics simulations have been performed to study dynamic properties of BCC iron at varying levels of defect impurity. Atomic interactions are described by an empirical many-body potential, and spin interactions with a Heisenberg-like Hamiltonian with a coordinate dependent exchange interaction. Equations of motion are solved numerically using the second-order Suzuki-Trotter decomposition for the time evolution operator. We analyze the spatial and temporal correlation functions for atomic displacements and magnetic order to obtain the effect of vacancy defects on the phonon and magnon excitations. We show that vacancy clusters in the material cause splitting of the characteristic transverse spin-wave excitations, indicating the production of additional excitation modes. Additionally, we investigate the coupling of the atomic and magnetic modes. These modes become more distinct with increasing vacancy cluster size. This material is based upon work supported by the U.S. Department of Energy Office of Science Graduate Student Research (SCGSR) program.

Intense cavitation at extreme static pressure.

PubMed

Pishchalnikov, Yuri A; Gutierrez, Joel; Dunbar, Wylene W; Philpott, Richard W

2016-02-01

Cavitation is usually performed at hydrostatic pressures at or near 0.1 MPa. Higher static pressure produces more intense cavitation, but requires an apparatus that can build high amplitude acoustic waves with rarefactions exceeding the cavitation threshold. The absence of such an apparatus has prevented the achievement of intense acoustic cavitation, hindering research and the development of new applications. Here we describe a new high-pressure spherical resonator system, as well as experimental and modeling results in water and liquid metal (gallium), for cavitation at hydrostatic pressures between 10 and 150 MPa. Our computational data, using HYADES plasma hydrodynamics code, show the formation of dense plasma that, under these conditions, reaches peak pressures of about three to four orders of magnitude greater than the hydrostatic pressure in the bulk liquid and temperatures in the range of 100,000 K. Passive cavitation detection (PCD) data validate both a linear increase in shock wave amplitude and the production of highly intense concentrations of mechanical energy in the collapsing bubbles. High-speed camera observations show the formation of bubble clusters from single bubbles. The increased shock wave amplitude produced by bubble clusters, measured using PCD and fiber optic probe hydrophone, was consistent with current understanding that bubble clusters enable amplification of energy produced. Copyright © 2015 Elsevier B.V. All rights reserved.

Quick detection of QRS complexes and R-waves using a wavelet transform and K-means clustering.

PubMed

Xia, Yong; Han, Junze; Wang, Kuanquan

2015-01-01

Based on the idea of telemedicine, 24-hour uninterrupted monitoring on electrocardiograms (ECG) has started to be implemented. To create an intelligent ECG monitoring system, an efficient and quick detection algorithm for the characteristic waveforms is needed. This paper aims to give a quick and effective method for detecting QRS-complexes and R-waves in ECGs. The real ECG signal from the MIT-BIH Arrhythmia Database is used for the performance evaluation. The method proposed combined a wavelet transform and the K-means clustering algorithm. A wavelet transform is adopted in the data analysis and preprocessing. Then, based on the slope information of the filtered data, a segmented K-means clustering method is adopted to detect the QRS region. Detection of the R-peak is based on comparing the local amplitudes in each QRS region, which is different from other approaches, and the time cost of R-wave detection is reduced. Of the tested 8 records (total 18201 beats) from the MIT-BIH Arrhythmia Database, an average R-peak detection sensitivity of 99.72 and a positive predictive value of 99.80% are gained; the average time consumed detecting a 30-min original signal is 5.78s, which is competitive with other methods.

On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

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

McKechnie, Scott; Booth, George H.; Cohen, Aron J.

The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density-functional theory (DFT) and wave function methods: Hartree-Fock theory (HF), second-order Møller-Plesset perturbation theory (MP2) and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionizationmore » energies obtained from total energy diff calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.« less

Electronic Structure of the [Cu 3 (μ-O) 3] 2+ Cluster in Mordenite Zeolite and Its Effects on the Methane to Methanol Oxidation

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

Vogiatzis, Konstantinos D.; Li, Guanna; Hensen, Emiel J. M.

Identifying Cu-exchanged zeolites able to activate C–H bonds and selectively convert methane to methanol is a challenge in the field of biomimetic heterogeneous catalysis. Recent experiments point to the importance of trinuclear [Cu 3(μ-O) 3] 2+ complexes inside the micropores of mordenite (MOR) zeolite for selective oxo-functionalization of methane. The electronic structures of these species, namely, the oxidation state of Cu ions and the reactive character of the oxygen centers, are not yet fully understood. In this study, we performed a detailed analysis of the electronic structure of the [Cu 3(μ-O) 3] 2+ site using multiconfigurational wave-function-based methods and densitymore » functional theory. The calculations reveal that all Cu sites in the cluster are predominantly present in the Cu(II) formal oxidation state with a minor contribution from Cu(III), whereas two out of three oxygen anions possess a radical character. These electronic properties, along with the high accessibility of the out-of-plane oxygen center, make this oxygen the preferred site for the homolytic C–H activation of methane by [Cu 3(μ-O) 3] 2+. These new insights aid in the construction of a theoretical framework for the design of novel catalysts for oxyfunctionalization of natural gas and suggest further spectroscopic examination.« less

Electronic Structure of the [Cu 3 (μ-O) 3] 2+ Cluster in Mordenite Zeolite and Its Effects on the Methane to Methanol Oxidation

DOE PAGES

Vogiatzis, Konstantinos D.; Li, Guanna; Hensen, Emiel J. M.; ...

2017-09-28

Identifying Cu-exchanged zeolites able to activate C–H bonds and selectively convert methane to methanol is a challenge in the field of biomimetic heterogeneous catalysis. Recent experiments point to the importance of trinuclear [Cu 3(μ-O) 3] 2+ complexes inside the micropores of mordenite (MOR) zeolite for selective oxo-functionalization of methane. The electronic structures of these species, namely, the oxidation state of Cu ions and the reactive character of the oxygen centers, are not yet fully understood. In this study, we performed a detailed analysis of the electronic structure of the [Cu 3(μ-O) 3] 2+ site using multiconfigurational wave-function-based methods and densitymore » functional theory. The calculations reveal that all Cu sites in the cluster are predominantly present in the Cu(II) formal oxidation state with a minor contribution from Cu(III), whereas two out of three oxygen anions possess a radical character. These electronic properties, along with the high accessibility of the out-of-plane oxygen center, make this oxygen the preferred site for the homolytic C–H activation of methane by [Cu 3(μ-O) 3] 2+. These new insights aid in the construction of a theoretical framework for the design of novel catalysts for oxyfunctionalization of natural gas and suggest further spectroscopic examination.« less

Using Network Theory to Understand Seismic Noise in Dense Arrays

NASA Astrophysics Data System (ADS)

Riahi, N.; Gerstoft, P.

2015-12-01

Dense seismic arrays offer an opportunity to study anthropogenic seismic noise sources with unprecedented detail. Man-made sources typically have high frequency, low intensity, and propagate as surface waves. As a result attenuation restricts their measurable footprint to a small subset of sensors. Medium heterogeneities can further introduce wave front perturbations that limit processing based on travel time. We demonstrate a non-parametric technique that can reliably identify very local events within the array as a function of frequency and time without using travel-times. The approach estimates the non-zero support of the array covariance matrix and then uses network analysis tools to identify clusters of sensors that are sensing a common source. We verify the method on simulated data and then apply it to the Long Beach (CA) geophone array. The method exposes a helicopter traversing the array, oil production facilities with different characteristics, and the fact that noise sources near roads tend to be around 10-20 Hz.

Isotope-selective high-order interferometry with large organic molecules in free fall

NASA Astrophysics Data System (ADS)

Rodewald, Jonas; Dörre, Nadine; Grimaldi, Andrea; Geyer, Philipp; Felix, Lukas; Mayor, Marcel; Shayeghi, Armin; Arndt, Markus

2018-03-01

Interferometry in the time domain has proven valuable for matter-wave based measurements. This concept has recently been generalized to cold molecular clusters using short-pulse standing light waves which realized photo-depletion gratings, arranged in a time-domain Talbot–Lau interferometer (OTIMA). Here we extend this idea further to large organic molecules and demonstrate a new scheme to scan the emerging molecular interferogram in position space. The capability of analyzing different isotopes of the same monomer under identical conditions opens perspectives for studying the interference fringe shift as a function of time in gravitational free fall. The universality of OTIMA interferometry allows one to handle a large variety of particles. In our present work, quasi-continuous laser evaporation allows transferring fragile organic molecules into the gas phase, covering more than an order of magnitude in mass between 614 amu and 6509 amu, i.e. 300% more massive than in previous OTIMA experiments. For all masses, we find about 30% fringe visibility.

Intermediate-depth icequakes and harmonic tremor in an Alpine glacier (Glacier d'Argentière, France): Evidence for hydraulic fracturing?

NASA Astrophysics Data System (ADS)

Helmstetter, Agnès.; Moreau, Luc; Nicolas, Barbara; Comon, Pierre; Gay, Michel

2015-03-01

We detected several thousand deep englacial icequakes on Glacier d'Argentière (Mont-Blanc massif) between 30 March and 3 May 2012. These events have been classified in eight clusters. Inside each cluster, the waveforms are similar for P waves and S waves, although the time delay between the P waves and the S waves vary by up to 0.03 s, indicating an extended source area. Although these events were recorded by a single accelerometer, they were roughly located using a polarization analysis. The deepest events were located at a depth of 130 m, 60 m above the ice/bed interface. The clusters are separated in space. The largest cluster extends over about 100 m. For this cluster, the strike of the rupture plane is nearly parallel to the direction of the open crevasses, and the dip angle is 56°. Deep icequakes occur in bursts of activity that last for a few hours and are separated by quiet periods. Many events occurred on 28 and 29 April 2012, during the warmest days, when snowmelting was likely important. The distributions of interevent times and peak amplitudes obey power laws as also observed for earthquakes, but with larger exponents. The polarity of the P waves for all of the events is consistent with tensile faulting. Finally, between 25 April and 3 May, we observed a gliding harmonic tremor with a fundamental resonance frequency that varied between 30 Hz and 38 Hz, with additional higher-frequency harmonics. During this time we also observed shallow hybrid events with high-frequency onsets and a monochromatic coda. These events might be produced by the propagation of fractures and the subsequent flow of water into the fracture. The strongest resonance was observed just after a strong burst of deep icequakes and during an unusually warm period when the snow height decreased by 60 cm in 1 week. The resonance frequency shows a succession of several sharp decreases and phases of progressive increases. One of the strongest negative steps of the resonance frequency on 28 April coincides with a burst of deep icequakes. These events appear to be associated with the propagation of fractures, which can explain the decrease in the resonance frequency. Finally, we observed an acceleration of glacier flow on 29 April, suggesting that meltwater had reached the ice/bed interface. These observations suggest that deep icequakes are due to hydraulic fracturing and that they can be used to track fluid flow inside glaciers.

Density functional theory and chromium: Insights from the dimers

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

Würdemann, Rolf; Kristoffersen, Henrik H.; Moseler, Michael

2015-03-28

The binding in small Cr clusters is re-investigated, where the correct description of the dimer in three charge states is used as criterion to assign the most suitable density functional theory approximation. The difficulty in chromium arises from the subtle interplay between energy gain from hybridization and energetic cost due to exchange between s and d based molecular orbitals. Variations in published bond lengths and binding energies are shown to arise from insufficient numerical representation of electron density and Kohn-Sham wave-functions. The best functional performance is found for gradient corrected (GGA) functionals and meta-GGAs, where we find severe differences betweenmore » functionals from the same family due to the importance of exchange. Only the “best fit” from Bayesian error estimation is able to predict the correct energetics for all three charge states unambiguously. With this knowledge, we predict small bond-lengths to be exclusively present in Cr{sub 2} and Cr{sub 2}{sup −}. Already for the dimer cation, solely long bond-lengths appear, similar to what is found in the trimer and in chromium bulk.« less

Experimental methods of molecular matter-wave optics.

PubMed

Juffmann, Thomas; Ulbricht, Hendrik; Arndt, Markus

2013-08-01

We describe the state of the art in preparing, manipulating and detecting coherent molecular matter. We focus on experimental methods for handling the quantum motion of compound systems from diatomic molecules to clusters or biomolecules.Molecular quantum optics offers many challenges and innovative prospects: already the combination of two atoms into one molecule takes several well-established methods from atomic physics, such as for instance laser cooling, to their limits. The enormous internal complexity that arises when hundreds or thousands of atoms are bound in a single organic molecule, cluster or nanocrystal provides a richness that can only be tackled by combining methods from atomic physics, chemistry, cluster physics, nanotechnology and the life sciences.We review various molecular beam sources and their suitability for matter-wave experiments. We discuss numerous molecular detection schemes and give an overview over diffraction and interference experiments that have already been performed with molecules or clusters.Applications of de Broglie studies with composite systems range from fundamental tests of physics up to quantum-enhanced metrology in physical chemistry, biophysics and the surface sciences.Nanoparticle quantum optics is a growing field, which will intrigue researchers still for many years to come. This review can, therefore, only be a snapshot of a very dynamical process.

Remote sensing of a NTC radio source from a Cluster tilted spacecraft pair

NASA Astrophysics Data System (ADS)

Décréau, Pierrette; Kougblénou, Séna; Lointier, Guillaume; Rauch, Jean Louis; Trotignon, Jean Gabriel; Vallières, Xavier; Canu, Patrick; Rochel Grimald, Sandrine; El-Lemdani Mazouz, Farida; Darrouzet, Fabien

2014-05-01

The non-thermal continuum (NTC) radiation is a radio wave produced within the magnetosphere of a planet. It has been observed in space around Earth since the '70s, and within the magnetospheres of other planets since the late '80s. A new study using ESA's Cluster mission has shown improved precision in determining the source of various radio emissions produced by the Earth. The experiment involved tilting one of the four identical Cluster spacecraft to measure the electric field of this emission in three dimensions for the first time. Our analysis of a NTC case event pinpointed a small deviation from the generally assumed (circular) polarization of this emission. We show that classical triangulation, in this case using three of the spacecraft located thousands of kilometres apart, can lead to an erroneous source location. A second method, using the new 3D electric field measurements, indicated a source located along the plasmapause at medium geomagnetic latitude, far away from the source location estimated by triangulation. Cluster observations reveal that this NTC source emits from the flank of the plasmapause towards the polar cap. Understanding the source of NTC waves will help with the broader understanding of their generation, amplification, and propagation.

The cluster-cluster correlation function. [of galaxies

NASA Technical Reports Server (NTRS)

Postman, M.; Geller, M. J.; Huchra, J. P.

1986-01-01

The clustering properties of the Abell and Zwicky cluster catalogs are studied using the two-point angular and spatial correlation functions. The catalogs are divided into eight subsamples to determine the dependence of the correlation function on distance, richness, and the method of cluster identification. It is found that the Corona Borealis supercluster contributes significant power to the spatial correlation function to the Abell cluster sample with distance class of four or less. The distance-limited catalog of 152 Abell clusters, which is not greatly affected by a single system, has a spatial correlation function consistent with the power law Xi(r) = 300r exp -1.8. In both the distance class four or less and distance-limited samples the signal in the spatial correlation function is a power law detectable out to 60/h Mpc. The amplitude of Xi(r) for clusters of richness class two is about three times that for richness class one clusters. The two-point spatial correlation function is sensitive to the use of estimated redshifts.

Flapping current sheet with superposed waves seen in space and on the ground

NASA Astrophysics Data System (ADS)

Wang, Guoqiang; Volwerk, Martin; Nakamura, Rumi; Boakes, Peter; Zhang, Tielong; Ge, Yasong; Yoshikawa, Akimasa; Baishev, Dmitry

2015-04-01

A wavy current sheet event observed on 15th of October 2004 between 1235 and 1300 UT has been studied by using Cluster and ground-based magnetometer data. Waves propagating from the tail centre to the duskside flank with a period ~30 s and wavelength ~1 RE, are superimposed on a flapping current sheet, accompanied with a bursty bulk flow (BBF). Three Pi2 pulsations, with onset at ~1236, ~1251 and ~1255 UT, respectively, are observed at the Tixie (TIK) station located near the foot-points of Cluster. The mechanism creating the Pi2 (period ~40 s) onset at ~1236 UT is unclear. The second Pi2 (period ~90 s, onset at ~1251 UT) is associated with a strong field-aligned current, which has a strong transverse component of the magnetic field, observed by Cluster with a time delay ~60 s. We suggest that it is caused by bouncing Alfvén waves between the northern and southern ionosphere which transport the field-aligned current. For the third Pi2 (period ~60 s) there is almost no damping at the first three periods. They occur in conjunction with periodic field-aligned currents one-on-one with 72s delay. We suggest that it is generated by these periodic field-aligned currents. We conclude that the strong field-aligned currents generated in the plasma sheet during flapping with superimposed higher frequency waves can drive Pi2 pulsations on the ground, and periodic field-aligned currents can even control the period of the Pi2s.

Sound wave generation by a spherically symmetric outburst and AGN feedback in galaxy clusters

NASA Astrophysics Data System (ADS)

Tang, Xiaping; Churazov, Eugene

2017-07-01

We consider the evolution of an outburst in a uniform medium under spherical symmetry, having in mind active galactic nucleus feedback in the intracluster medium. For a given density and pressure of the medium, the spatial structure and energy partition at a given time tage (since the onset of the outburst) are fully determined by the total injected energy Einj and the duration tb of the outburst. We are particularly interested in the late phase evolution when the strong shock transforms into a sound wave. We studied the energy partition during such transition with different combinations of Einj and tb. For an instantaneous outburst with tb → 0, which corresponds to the extension of classic Sedov-Taylor solution with counter-pressure, the fraction of energy that can be carried away by sound waves is ≲12 per cent of Einj. As tb increases, the solution approaches the 'slow piston' limit, with the fraction of energy in sound waves approaching zero. We then repeat the simulations using radial density and temperature profiles measured in Perseus and M87/Virgo clusters. We find that the results with a uniform medium broadly reproduce an outburst in more realistic conditions once proper scaling is applied. We also develop techniques to map intrinsic properties of an outburst (Einj, tb and tage) to the observables like the Mach number of the shock and radii of the shock and ejecta. For the Perseus cluster and M87, the estimated (Einj, tb and tage) agree with numerical simulations tailored for these objects with 20-30 per cent accuracy.

Design and Control of Functional Microbubbles for Medical Applications of Ultrasound

NASA Astrophysics Data System (ADS)

Takagi, Shu; Osaki, Taichi; Ariyoshi, Takuya; Azuma, Takashi; Ichiyanagi, Mitsuhisa; Kinefuchi, Ikuya

2015-11-01

Microbubbles are used as a contrast agent for ultrasound diagnosis. It is also expected to be use for the treatment. One of the possible applications is microbubble DDS. For that purpose, microbubbles need to be well-controlled for the generating process and manipulation. In this talk, for the design and control of the functional microbubbles, an experimental study on generation and surface modification of microbubbles are explained. Using a T-junction type microchannel, small bubbles about 5 μm size are successfully generated. For the surface modification, Biotin-coated microbubbles are tried to adhere the Avidin-coated wall. Furthermore, the manipulation of the microbubbles using ultrasound is also discussed. Plane-wave and focused ultrasound is used to manipulate a microbubble and bubble clusters. The experimental results are shown in the presentation. Supported by JSPS KAKENHI Grant Number 15K13865.

Active galactic nucleus feedback in clusters of galaxies

PubMed Central

Blanton, Elizabeth L.; Clarke, T. E.; Sarazin, Craig L.; Randall, Scott W.; McNamara, Brian R.

2010-01-01

Observations made during the last ten years with the Chandra X-ray Observatory have shed much light on the cooling gas in the centers of clusters of galaxies and the role of active galactic nucleus (AGN) heating. Cooling of the hot intracluster medium in cluster centers can feed the supermassive black holes found in the nuclei of the dominant cluster galaxies leading to AGN outbursts which can reheat the gas, suppressing cooling and large amounts of star formation. AGN heating can come in the form of shocks, buoyantly rising bubbles that have been inflated by radio lobes, and the dissipation of sound waves. PMID:20351250

Evolutionary dynamics of avian influenza A H7N9 virus across five waves in mainland China, 2013-2017.

PubMed

Xiang, Dan; Pu, Zhiqing; Luo, Tingting; Guo, Fucheng; Li, Xiaobing; Shen, Xuejuan; Irwin, David M; Murphy, Robert W; Liao, Ming; Shen, Yongyi

2018-05-25

Since its emergence in March 2013, novel avian influenza A H7N9 virus has triggered five epidemics of human infections in China. This raises concerns about the pandemic threat of this quickly evolving H7N9 subtype for humans. In this study, we evaluated all available genomes for H7N9 and H9N2 influenza A viruses. Our assessment discovered that H7N9 of the 1st wave had the lowest nucleotide diversity, which then experienced substantial and rapid population expansion from a small founder population. From the 2nd wave, their nucleotide diversity increased quickly, indicating that H7N9 viruses had acquired larger populations and mutations after their initial emergence in 2013. After the phylogeographic divergence in the 2nd wave, although the HA and NA genes from different regions differed, compared to previous epidemics, the evolving H7N9 viruses in the 5th wave lost most of their previous clades. The highly pathogenic avian influenza (HPAI) H7N9 viruses in the 5th wave clustered together, and clustered close to the low pathogenic avian influenza (LPAI) virus isolated from the Pearl River Delta in the 3rd and 4th waves. This result supports the origin of HPAI H7N9 viruses was in the Pearl River Delta. In the 5th wave, although both HPAI and LPAI H7N9 viruses were isolated from the Pearl River Delta, their HA and NA genes were phylogenetically distinct. Copyright © 2018. Published by Elsevier Ltd.

Amplitudes and frequency sweep rates of wave packets of whistler-mode chorus observed by the Cluster spacecraft

NASA Astrophysics Data System (ADS)

Macusova, E.; Santolik, O.; Pickett, J. S.; Gurnett, D. A.; Cornilleau-Wehrlin, N.; Demekhov, A. G.; Titova, E. E.

2013-12-01

Whistler-mode chorus is one of the most intense electromagnetic wave emissions observed in the inner magnetosphere, usually outside the plasmasphere. These waves play an important role in wave-particle interactions. They are usually generated close to the geomagnetic equator in a wide range of L-shells, and they propagate toward larger magnetic latitudes. Whistler-mode chorus is sometimes composed of two frequency bands separated by a gap at one half of the electron cyclotron frequency. At short time scales (on the order of hundreds of milliseconds) chorus consist of different discrete spectral shapes: rising tones, falling tones, constant frequency tones, and hooks. Our survey is based on high time resolution measurements collected by the WBD instrument onboard four Cluster spacecraft. We analyze time intervals containing different types of spectral shapes occurring at different L-shells, and at different latitudes relative to the chorus source region, as it is determined from measurements of the STAFF-SA instrument. Each of these events includes a large number of individual wave packets (between a few hundreds to a few thousands). For each individual wave packet we determine the frequency sweep rate and the average amplitude. Our results confirm previous conclusions of numerical simulations, theoretical predictions, and case studies showing that the amplitude of chorus wave packets increases with an increasing frequency sweep rate. The amplitude also increases as the wave forming chorus propagate away from the equator. The scatter of obtained values of frequency sweep rates and amplitudes is much larger closer to the Earth than at larger radial distances. This work receives EU support through the FP7-Space grant agreement no 284520 for the MAARBLE collaborative research project.

Observations of EMIC Waves in the Exterior Cusp Region and in the Nearby Magnetosheath

NASA Astrophysics Data System (ADS)

Grison, B.; Escoubet, C. P.; Santolik, O.; Lavraud, B.; Cornilleau-Wehrlin, N.

2014-12-01

In the early years (2000-2004) of the mission, Cluster crossed the most distant part of the polar cusps. On 05/01/2002, Cluster enters the distant cusp region on the duskside of the southern hemisphere (inbound). The spacecraft are successively crossing the magnetopause between 19:50 UT (SC4) and 20:15 UT (SC3). The interplanetary conditions during the crossing were stable with a dominant negative By. The magnetometer (FGM) data indicates that the entry into the cusp takes place in a region where the magnetic field lines in the magnetosheath are anti-parallel with the field lines in the magnetosphere. Despite this clear picture, the global encounter is rather complex: one can notice partial magnetopause crossings, magnetic null points, and intense monochromatic waves on both sides of the magnetopause.We investigate electromagnetic ion cyclotron (EMIC) waves observed in the cusp and in the nearby magnetosheath, just before the magnetopause crossing by the spacecraft. Left-handed monochromatic waves observed in the cusp display different duration and frequency (below and above the local proton gyrofrequency) on each spacecraft. Both the Poynting flux of these emissions and the simultaneously recorded ion flows propagate in the same direction - toward the Earth. The wavenumber are determined in two ways: considering the Doppler shift and from direct measurements of the refractive index. We analyze these wave parameters and the local plasma conditions to explain the wave generation process on each side of the magnetopause.

High-Nuclearity Magnetic Clusters: Generalized Spin Hamiltonian and Its Use for the Calculation of the Energy Levels, Bulk Magnetic Properties, and Inelastic Neutron Scattering Spectra.

PubMed

Borrás-Almenar, J. J.; Clemente-Juan, J. M.; Coronado, E.; Tsukerblat, B. S.

1999-12-27

A general solution of the exchange problem in the high-nuclearity spin clusters (HNSC) containing arbitrary number of exchange-coupled centers and topology is developed. All constituent magnetic centers are supposed to possess well-isolated orbitally non-degenerate ground states so that the isotropic Heisenberg-Dirac-Van Vleck (HDVV) term is the leading part of the exchange spin Hamiltonian. Along with the HDVV term, we consider higher-order isotropic exchange terms (biquadratic exchange), as well as the anisotropic terms (anisotropic and antisymmetric exchange interactions and local single-ion anisotropies). All these terms are expressed as irreducible tensor operators (ITO). This allows us to take full advantage of the spin symmetry of the system. At the same time, we have also benefitted by taking into account the point group symmetry of the cluster, which allows us to work with symmetrized spin functions. This results in an additional reduction of the matrices to diagonalize. The approach developed here is accompanied by an efficient computational procedure that allows us to calculate the bulk magnetic properties (magnetic susceptibility, magnetization, and magnetic specific heat) as well as the spectroscopic properties of HNSC. Special attention is paid to calculate the magnetic excitations observed by inelastic neutron scattering (INS), their intensities, and their Q and temperature dependencies. This spectroscopic technique provides direct access to the energies and wave functions of the different spin states of the cluster; thus, it can be applied to spin clusters in order to obtain deep and detailed information on the nature of the magnetic exchange phenomenon. The general expression for the INS cross-section of spin clusters interacting by all kinds of exchange interactions, including also the single-ion zero-field splitting term, is derived for the first time. A closed-form expression is also derived for the particular case in which only the isotropic exchange interactions are involved. Finally this approach has been used to model the magnetic properties as well as the INS spectra of the polyoxometalate anion [Ni(9)(OH)(3)(H(2)O)(6)(HPO(4))(2)(PW(9)O(34))(3)](16)(-), which contains a central magnetic cluster formed by nine exchange-coupled Ni(II) ions surrounded by diamagnetic phosphotungstate ligands (PW(9)O(34))(9)(-).

Partial wave analysis of the reaction p(3.5 GeV) + p → pK + Λ to search for the "ppK –" bound state

DOE PAGES

Agakishiev, G.; Arnold, O.; Belver, D.; ...

2015-01-26

Employing the Bonn–Gatchina partial wave analysis framework (PWA), we have analyzed HADES data of the reaction p(3.5GeV) + p → pK +Λ. This reaction might contain information about the kaonic cluster “ppK -” (with quantum numbers J P=0 - and total isospin I =1/2) via its decay into pΛ. Due to interference effects in our coherent description of the data, a hypothetical K ¯NN (or, specifically “ppK -”) cluster signal need not necessarily show up as a pronounced feature (e.g. a peak) in an invariant mass spectrum like pΛ. Our PWA analysis includes a variety of resonant and non-resonant intermediatemore » states and delivers a good description of our data (various angular distributions and two-hadron invariant mass spectra) without a contribution of a K ¯NN cluster. At a confidence level of CL s=95% such a cluster cannot contribute more than 2–12% to the total cross section with a pK + Λ final state, which translates into a production cross-section between 0.7 μb and 4.2 μb, respectively. The range of the upper limit depends on the assumed cluster mass, width and production process.« less

Synthesis, Structure and Electrochemistry of Tetranuclear Oxygen-Centered Copper(II) Clusters with Acetylacetone and Benz-pyrazole Hydrolyzed Derivatives as Ligand.

PubMed

Vafazadeh, Rasoul; Willis, Anthony C

2016-01-01

Two copper(II) clusters Cu(4)OCl(6)(pyrazole)4, 1, and Cu(4)OBr(6)(Br-pyrazole)4, 2, have been synthesized by reacting acetylacetone and benzohydrazide (1:1 ratio) with CuX(2) (X = Cl for 1 and X= Br for 2) in methanol solutions. The structures of both clusters have been established by X-ray crystallography. The clusters contain four Cu, one O, six μ(2)-X atoms, and four pyrazole ligands. The pyrazoles was prepared in situ by the reaction of acetylacetone with benzohydrazide in methanol under reflux. In 2, the methine hydrogens of the pyrazole ligands have been replaced by bromine atoms. The four copper atoms encapsulate the central O atom in a tetrahedral arrangement. All copper atoms are five-coordinate and have similar coordination environments with slightly distorted trigonal bipyramidal geometry. The cyclic voltammogram of the clusters 1 and 2 show a one-electron quasi-reversible reduction wave in the region 0.485 to 0.731 V, and a one-electron quasi-reversible oxidation wave in the region 0.767 to 0.898 V. In 1, one irreversible oxidative response is observed on the positive of side of the voltammogram at 1.512 V and this can be assigned to Cu(II) to Cu(III) oxidation.

Chemical Bonding: The Orthogonal Valence-Bond View

PubMed Central

Sax, Alexander F.

2015-01-01

Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbitals (MO) used to construct the wave functions. The transformation of such wave functions into valence bond (VB) wave functions, which are based on localized orbitals, reveals the hidden information; this transformation is called a VB reading of MCSCF wave functions. The two-electron VB wave functions describing the Lewis electron pair that connects two atoms are frequently called covalent or neutral, suggesting that these wave functions describe an electronic situation where two electrons are never located at the same atom; such electronic situations and the wave functions describing them are called ionic. When the distance between two atoms decreases, however, every covalent VB wave function composed of non-orthogonal atomic orbitals changes its character from neutral to ionic. However, this change in the character of conventional VB wave functions is hidden by its mathematical form. Orthogonal VB wave functions composed of orthonormalized orbitals never change their character. When localized fragment orbitals are used instead of atomic orbitals, one can decide which local information is revealed and which remains hidden. In this paper, we analyze four chemical reactions by transforming the MCSCF wave functions into orthogonal VB wave functions; we show how the reactions are influenced by changing the atoms involved or by changing their local symmetry. Using orthogonal instead of non-orthogonal orbitals is not just a technical issue; it also changes the interpretation, revealing the properties of wave functions that remain otherwise undetected. PMID:25906476

Double shock front formation in cylindrical radiative blast waves produced by laser irradiation of krypton gas

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

Kim, I.; Quevedo, H. J.; Feldman, S.

2013-12-15

Radiative blast waves were created by irradiating a krypton cluster source from a supersonic jet with a high intensity femtosecond laser pulse. It was found that the radiation from the shock surface is absorbed in the optically thick upstream medium creating a radiative heat wave that travels supersonically ahead of the main shock. As the blast wave propagates into the heated medium, it slows and loses energy, and the radiative heat wave also slows down. When the radiative heat wave slows down to the transonic regime, a secondary shock in the ionization precursor is produced. This paper presents experimental datamore » characterizing both the initial and secondary shocks and numerical simulations to analyze the double-shock dynamics.« less

A spatial analysis of heat stress related emergency room visits in rural Southern Ontario during heat waves.

PubMed

Bishop-Williams, Katherine E; Berke, Olaf; Pearl, David L; Kelton, David F

2015-08-06

In Southern Ontario, climate change may have given rise to an increasing occurrence of heat waves since the year 2000, which can cause heat stress to the general public, and potentially have detrimental health consequences. Heat waves are defined as three consecutive days with temperatures of 32 °C and above. Heat stress is the level of discomfort. A variety of heat stress indices have been proposed to measure heat stress (e.g., the heat stress index (HSI)), and has been shown to predict increases in morbidity and/or mortality rates in humans and other species. Maps visualizing the distribution of heat stress can provide information about related health risks and insight for control strategies. Information to inform heat wave preparedness models in Ontario was previously only available for major metropolitan areas. Hospitals in communities of fewer than 100,000 individuals were recruited for a pilot study by telephone. The number of people visiting the emergency room or 24-hour urgent care service was collected for a total of 27 days, covering three heat waves and six 3-day control periods from 2010-2012. The heat stress index was spatially predicted using data from 37 weather stations across Southern Ontario by geostatistical kriging. Poisson regression modeling was applied to determine the rate of increased number of emergency room visits in rural hospitals with respect to the HSI. During a heat wave, the average rate of emergency room visits was 1.11 times higher than during a control period (IRR = 1.11, CI95% (IRR) = (1.07,1.15), p ≤ 0.001). In a univariable model, HSI was not a significant predictor of emergency room visits, but when accounting for the confounding effect of a spatial trend polynomial in the hospital location coordinates, a one unit increase in HSI predicted an increase in daily emergency rooms visits by 0.4% (IRR = 1.004, CI95%(IRR) = (1.0005,1.007), p = 0.024) across the region. One high-risk cluster and no low risk clusters were identified in the southwestern portion of the study area by the spatial scan statistic during heat waves. The high-risk cluster is located in a region with high levels of heat stress during heat waves. This finding will aid hospitals and rural public health units in preventing and preparing for emergencies of foreseeable heat waves. Future research is needed to assess the relation between heat stress and individual characteristics and demographics of rural communities in Ontario.

Wave energy budget analysis in the Earth's radiation belts uncovers a missing energy.

PubMed

Artemyev, A V; Agapitov, O V; Mourenas, D; Krasnoselskikh, V V; Mozer, F S

2015-05-15

Whistler-mode emissions are important electromagnetic waves pervasive in the Earth's magnetosphere, where they continuously remove or energize electrons trapped by the geomagnetic field, controlling radiation hazards to satellites and astronauts and the upper-atmosphere ionization or chemical composition. Here, we report an analysis of 10-year Cluster data, statistically evaluating the full wave energy budget in the Earth's magnetosphere, revealing that a significant fraction of the energy corresponds to hitherto generally neglected very oblique waves. Such waves, with 10 times smaller magnetic power than parallel waves, typically have similar total energy. Moreover, they carry up to 80% of the wave energy involved in wave-particle resonant interactions. It implies that electron heating and precipitation into the atmosphere may have been significantly under/over-valued in past studies considering only conventional quasi-parallel waves. Very oblique waves may turn out to be a crucial agent of energy redistribution in the Earth's radiation belts, controlled by solar activity.

The Evolution of Globular Cluster Systems In Early-Type Galaxies

NASA Astrophysics Data System (ADS)

Grillmair, Carl

1999-07-01

We will measure structural parameters {core radii and concentrations} of globular clusters in three early-type galaxies using deep, four-point dithered observations. We have chosen globular cluster systems which have young, medium-age and old cluster populations, as indicated by cluster colors and luminosities. Our primary goal is to test the hypothesis that globular cluster luminosity functions evolve towards a ``universal'' form. Previous observations have shown that young cluster systems have exponential luminosity functions rather than the characteristic log-normal luminosity function of old cluster systems. We will test to see whether such young system exhibits a wider range of structural parameters than an old systems, and whether and at what rate plausible disruption mechanisms will cause the luminosity function to evolve towards a log-normal form. A simple observational comparison of structural parameters between different age cluster populations and between diff er ent sub-populations within the same galaxy will also provide clues concerning both the formation and destruction mechanisms of star clusters, the distinction between open and globular clusters, and the advisability of using globular cluster luminosity functions as distance indicators.

First Vlasiator results on foreshock ULF wave activity

NASA Astrophysics Data System (ADS)

Palmroth, M.; Eastwood, J. P.; Pokhotelov, D.; Hietala, H.; Kempf, Y.; Hoilijoki, S.; von Alfthan, S.; Vainio, R. O.

2013-12-01

For decades, a certain type of ultra low frequency waves with a period of about 30 seconds have been observed in the Earth's quasi-parallel foreshock. These waves, with a wavelength of about an Earth radius, are compressive and propagate obliquely with respect to the interplanetary magnetic field (IMF). The latter property has caused trouble to scientists as the growth rate for the instability causing the waves is maximized along the magnetic field. So far, these waves have been characterized by single or multi-spacecraft methods and 2-dimensional hybrid-PIC simulations, which have not fully reproduced the wave properties. Vlasiator is a newly developed, global hybrid-Vlasov simulation, which solves ions in the six-dimensional phase space using the Vlasov equation and electrons using magnetohydrodynamics (MHD). The outcome of the simulation is a global reproduction of ion-scale physics in a holistic manner where the generation of physical features can be followed in time and their consequences can be quantitatively characterized. Vlasiator produces the ion distribution functions and the related kinetic physics in unprecedented detail, in the global magnetospheric scale presently with a resolution of 0.13 RE in the ordinary space and 20 km/s in the velocity space. We run two simulations, where we use both a typical Parker-spiral and a radial IMF as an input to the code. The runs are carried out in the ecliptic 2-dimensional plane in the ordinary space, and with three dimensions in the velocity space. We observe the generation of the 30-second ULF waves, and characterize their evolution and physical properties in time, comparing to observations by Cluster spacecraft. We find that Vlasiator reproduces these waves in all reported observational aspects, i.e., they are of the observed size in wavelength and period, they are compressive and propagate obliquely to the IMF. In particular, we investigate the oblique propagation and discuss the issues related to the long-standing question of oblique propagation.

Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2.

PubMed

Gomez, Tatiana; Hermann, Gunter; Zarate, Ximena; Pérez-Torres, Jhon Fredy; Tremblay, Jean Christophe

2015-07-30

In this work, we adopt a quantum mechanical approach based on time-dependent density functional theory (TDDFT) to study the optical and electronic properties of alizarin supported on TiO2 nano-crystallites, as a prototypical dye-sensitized solar cell. To ensure proper alignment of the donor (alizarin) and acceptor (TiO2 nano-crystallite) levels, static optical excitation spectra are simulated using time-dependent density functional theory in response. The ultrafast photoelectron transfer from the dye to the cluster is simulated using an explicitly time-dependent, one-electron TDDFT ansatz. The model considers the δ-pulse excitation of a single active electron localized in the dye to the complete set of energetically accessible, delocalized molecular orbitals of the dye/nano-crystallite complex. A set of quantum mechanical tools derived from the transition electronic flux density is introduced to visualize and analyze the process in real time. The evolution of the created wave packet subject to absorbing boundary conditions at the borders of the cluster reveal that, while the electrons of the aromatic rings of alizarin are heavily involved in an ultrafast charge redistribution between the carbonyl groups of the dye molecule, they do not contribute positively to the electron injection and, overall, they delay the process.

Stellar-mass black holes in young massive and open stellar clusters and their role in gravitational-wave generation - II

NASA Astrophysics Data System (ADS)

Banerjee, Sambaran

2018-01-01

The study of stellar-remnant black holes (BH) in dense stellar clusters is now in the spotlight, especially due to their intrinsic ability to form binary black holes (BBH) through dynamical encounters, which potentially coalesce via gravitational-wave (GW) radiation. In this work, which is a continuation from a recent study (Paper I), additional models of compact stellar clusters with initial masses ≲ 105 M⊙ and also those with small fractions of primordial binaries (≲ 10 per cent) are evolved for long term, applying the direct N-body approach, assuming state-of-the-art stellar-wind and remnant-formation prescriptions. That way, a substantially broader range of computed models than that in Paper I is achieved. As in Paper I, the general-relativistic BBH mergers continue to be mostly mediated by triples that are bound to the clusters rather than happen among the ejected BBHs. In fact, the number of such in situ BBH mergers, per cluster, tends to increase significantly with the introduction of a small population of primordial binaries. Despite the presence of massive primordial binaries, the merging BBHs, especially the in situ ones, are found to be exclusively dynamically assembled and hence would be spin-orbit misaligned. The BBHs typically traverse through both the LISA's and the LIGO's detection bands, being audible to both instruments. The 'dynamical heating' of the BHs keeps the electron-capture-supernova (ECS) neutron stars (NS) from effectively mass segregating and participating in exchange interactions; the dynamically active BHs would also exchange into any NS binary within ≲1 Gyr. Such young massive and open clusters have the potential to contribute to the dynamical BBH merger detection rate to a similar extent as their more massive globular-cluster counterparts.

Benchmark CCSD(T) and DFT study of binding energies in Be7 - 12: in search of reliable DFT functional for beryllium clusters

NASA Astrophysics Data System (ADS)

Labanc, Daniel; Šulka, Martin; Pitoňák, Michal; Černušák, Ivan; Urban, Miroslav; Neogrády, Pavel

2018-05-01

We present a computational study of the stability of small homonuclear beryllium clusters Be7 - 12 in singlet electronic states. Our predictions are based on highly correlated CCSD(T) coupled cluster calculations. Basis set convergence towards the complete basis set limit as well as the role of the 1s core electron correlation are carefully examined. Our CCSD(T) data for binding energies of Be7 - 12 clusters serve as a benchmark for performance assessment of several density functional theory (DFT) methods frequently used in beryllium cluster chemistry. We observe that, from Be10 clusters on, the deviation from CCSD(T) benchmarks is stable with respect to size, and fluctuating within 0.02 eV error bar for most examined functionals. This opens up the possibility of scaling the DFT binding energies for large Be clusters using CCSD(T) benchmark values for smaller clusters. We also tried to find analogies between the performance of DFT functionals for Be clusters and for the valence-isoelectronic Mg clusters investigated recently in Truhlar's group. We conclude that it is difficult to find DFT functionals that perform reasonably well for both beryllium and magnesium clusters. Out of 12 functionals examined, only the M06-2X functional gives reasonably accurate and balanced binding energies for both Be and Mg clusters.

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

NASA Astrophysics Data System (ADS)

Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

2018-01-01

The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

Wave-function-based approach to quasiparticle bands: Insight into the electronic structure of c-ZnS

NASA Astrophysics Data System (ADS)

Stoyanova, A.; Hozoi, L.; Fulde, P.; Stoll, H.

2011-05-01

Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d “semicore” states. The relative energies of these states with respect to the top of the S 3p valence bands appear to be poorly described as compared to experimental values not only within the local density approximation (LDA), but also when many-body corrections within the GW approximation are applied to the LDA or LDA + U mean-field solutions [T. Miyake, P. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.74.245213 74, 245213 (2006)]. In the present study, we show that for the accurate description of the Zn 3d states a correlation treatment based on wave-function methods is needed. Our study rests on a local Hamiltonian approach which rigorously describes the short-range polarization and charge redistribution effects around an extra hole or electron placed into the valence respective conduction bands of semiconductors and insulators. The method also facilitates the computation of electron correlation effects beyond relaxation and polarization. The electron correlation treatment is performed on finite clusters cut off the infinite system. The formalism makes use of localized Wannier functions and embedding potentials derived explicitly from prior periodic Hartree-Fock calculations. The on-site and nearest-neighbor charge relaxation lead to corrections of several eV to the Hartree-Fock band energies and gap. Corrections due to long-range polarization are of the order of 1.0 eV. The dispersion of the Hartree-Fock bands is only slightly affected by electron correlations. We find the Zn 3d “semicore” states to lie ~9.0 eV below the top of the S 3p valence bands, in very good agreement with values from valence-band x-ray photoemission.

Photo-Controlled Waves and Active Locomotion.

PubMed

Epstein, Irving R; Gao, Qingyu

2017-08-22

Waves of chemical concentration, created by the interaction between reaction and diffusion, occur in a number of chemical systems far from equilibrium. In appropriately chosen polymer gels, these waves generate mechanical forces, which can result in locomotion. When a component of the system is photosensitive, light can be used to modulate and control these waves. In this Concept article, we examine various forms of photo-control of such systems, focusing particularly on the Belousov-Zhabotinsky oscillating chemical reaction. The phenomena we consider include image storage and image processing, feedback-control and feedback-induced clustering of waves, and phototropic and photophobic locomotion. Several of these phenomena have analogues in or potential applications to biological systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of earthquake clustering and source spectra in the Salton Sea Geothermal Field

NASA Astrophysics Data System (ADS)

Cheng, Y.; Chen, X.

2015-12-01

The Salton Sea Geothermal field is located within the tectonic step-over between San Andreas Fault and Imperial Fault. Since the 1980s, geothermal energy exploration has resulted with step-like increase of microearthquake activities, which mirror the expansion of geothermal field. Distinguishing naturally occurred and induced seismicity, and their corresponding characteristics (e.g., energy release) is important for hazard assessment. Between 2008 and 2014, seismic data recorded by a local borehole array were provided public access from CalEnergy through SCEC data center; and the high quality local recording of over 7000 microearthquakes provides unique opportunity to sort out characteristics of induced versus natural activities. We obtain high-resolution earthquake location using improved S-wave picks, waveform cross-correlation and a new 3D velocity model. We then develop method to identify spatial-temporally isolated earthquake clusters. These clusters are classified into aftershock-type, swarm-type, and mixed-type (aftershock-like, with low skew, low magnitude and shorter duration), based on the relative timing of largest earthquakes and moment-release. The mixed-type clusters are mostly located at 3 - 4 km depth near injection well; while aftershock-type clusters and swarm-type clusters also occur further from injection well. By counting number of aftershocks within 1day following mainshock in each cluster, we find that the mixed-type clusters have much higher aftershock productivity compared with other types and historic M4 earthquakes. We analyze detailed spatial variation of 'b-value'. We find that the mixed-type clusters are mostly located within high b-value patches, while large (M>3) earthquakes and other types of clusters are located within low b-value patches. We are currently processing P and S-wave spectra to analyze the spatial-temporal correlation of earthquake stress parameter and seismicity characteristics. Preliminary results suggest that the mixed-type clusters and high b-value patches are spatially correlated with low stress drop earthquakes, indicating high-productivity microearthquakes within low differential stress region, potentially due to deeper injection activities.

A Comparison of High- and Low-Distress Marriages that End in Divorce

ERIC Educational Resources Information Center

Amato, Paul R.; Hohmann-Marriott, Bryndl

2007-01-01

We used data from Waves 1 and 2 of the National Survey of Families and Households to study high- and low-distress marriages that end in divorce. A cluster analysis of 509 couples who divorced between waves revealed that about half were in high-distress relationships and the rest in low-distress relationships. These 2 groups were not artifacts of…

The mass function and dynamical mass of young star clusters: why their initial crossing-time matters crucially

NASA Astrophysics Data System (ADS)

Parmentier, Geneviève; Baumgardt, Holger

2012-12-01

We highlight the impact of cluster-mass-dependent evolutionary rates upon the evolution of the cluster mass function during violent relaxation, that is, while clusters dynamically respond to the expulsion of their residual star-forming gas. Mass-dependent evolutionary rates arise when the mean volume density of cluster-forming regions is mass-dependent. In that case, even if the initial conditions are such that the cluster mass function at the end of violent relaxation has the same shape as the embedded-cluster mass function (i.e. infant weight-loss is mass-independent), the shape of the cluster mass function does change transiently during violent relaxation. In contrast, for cluster-forming regions of constant mean volume density, the cluster mass function shape is preserved all through violent relaxation since all clusters then evolve at the same mass-independent rate. On the scale of individual clusters, we model the evolution of the ratio of the dynamical mass to luminous mass of a cluster after gas expulsion. Specifically, we map the radial dependence of the time-scale for a star cluster to return to equilibrium. We stress that fields of view a few pc in size only, typical of compact clusters with rapid evolutionary rates, are likely to reveal cluster regions which have returned to equilibrium even if the cluster experienced a major gas expulsion episode a few Myr earlier. We provide models with the aperture and time expressed in units of the initial half-mass radius and initial crossing-time, respectively, so that our results can be applied to clusters with initial densities, sizes, and apertures different from ours.

Phononic crystals of spherical particles: A tight binding approach

NASA Astrophysics Data System (ADS)

Mattarelli, M.; Secchi, M.; Montagna, M.

2013-11-01

The vibrational dynamics of a fcc phononic crystal of spheres is studied and compared with that of a single free sphere, modelled either by a continuous homogeneous medium or by a finite cluster of atoms. For weak interaction among the spheres, the vibrational dynamics of the phononic crystal is described by shallow bands, with low degree of dispersion, corresponding to the acoustic spheroidal and torsional modes of the single sphere. The phonon displacements are therefore related to the vibrations of a sphere, as the electron wave functions in a crystal are related to the atomic wave functions in a tight binding model. Important dispersion is found for the two lowest phonon bands, which correspond to zero frequency free translation and rotation of a free sphere. Brillouin scattering spectra are calculated at some values of the exchanged wavevectors of the light, and compared with those of a single sphere. With weak interaction between particles, given the high acoustic impedance mismatch in dry systems, the density of phonon states consist of sharp bands separated by large gaps, which can be well accounted for by a single particle model. Based on the width of the frequency gaps, tunable with the particle size, and on the small number of dispersive acoustic phonons, such systems may provide excellent materials for application as sound or heat filters.

Comparison of the first three waves of avian influenza A(H7N9) virus circulation in the mainland of the People's Republic of China.

PubMed

Xiang, Nijuan; Iuliano, A Danielle; Zhang, Yanping; Ren, Ruiqi; Geng, Xingyi; Ye, Bili; Tu, Wenxiao; Li, Ch Ao; Lv, Yong; Yang, Ming; Zhao, Jian; Wang, Yali; Yang, Fuqiang; Zhou, Lei; Liu, Bo; Shu, Yuelong; Ni, Daxin; Feng, Zijian; Li, Qun

2016-12-05

H7N9 human cases were first detected in mainland China in March 2013. Circulation of this virus has continued each year shifting to typical winter months. We compared the clinical and epidemiologic characteristics for the first three waves of virus circulation. The first wave was defined as reported cases with onset dates between March 31-September 30, 2013, the second wave was defined as October 1, 2013-September 30, 2014 and the third wave was defined as October 1, 2014-September 30, 2015. We used simple descriptive statistics to compare characteristics of the three distinct waves of virus circulation. In mainland China, 134 cases, 306 cases and 219 cases were detected and reported in first three waves, respectively. The median age of cases was statistically significantly older in the first wave (61 years vs. 56 years, 56 years, p < 0.001) compared to the following two waves. Most reported cases were among men in all three waves. There was no statistically significant difference between case fatality proportions (33, 42 and 45%, respectively, p = 0.08). There were no significant statistical differences for time from illness onset to first seeking healthcare, hospitalization, lab confirmation, initiation antiviral treatment and death between the three waves. A similar percentage of cases in all waves reported exposure to poultry or live poultry markets (87%, 88%, 90%, respectively). There was no statistically significant difference in the occurrence of severe disease between the each of the first three waves of virus circulation. Twenty-one clusters were reported during these three waves (4, 11 and 6 clusters, respectively), of which, 14 were considered to be possible human-to-human transmission. Though our case investigation for the first three waves found few differences between the epidemiologic and clinical characteristics, there is continued international concern about the pandemic potential of this virus. Since the virus continues to circulate, causes more severe disease, has the ability to mutate and become transmissible from human-to-human, and there is limited natural protection from infection in communities, it is critical that surveillance systems in China and elsewhere are alert to the influenza H7N9 virus.

Large-scale dynamics associated with clustering of extratropical cyclones affecting Western Europe

NASA Astrophysics Data System (ADS)

Pinto, Joaquim G.; Gómara, Iñigo; Masato, Giacomo; Dacre, Helen F.; Woollings, Tim; Caballero, Rodrigo

2015-04-01

Some recent winters in Western Europe have been characterized by the occurrence of multiple extratropical cyclones following a similar path. The occurrence of such cyclone clusters leads to large socio-economic impacts due to damaging winds, storm surges, and floods. Recent studies have statistically characterized the clustering of extratropical cyclones over the North Atlantic and Europe and hypothesized potential physical mechanisms responsible for their formation. Here we analyze 4 months characterized by multiple cyclones over Western Europe (February 1990, January 1993, December 1999, and January 2007). The evolution of the eddy driven jet stream, Rossby wave-breaking, and upstream/downstream cyclone development are investigated to infer the role of the large-scale flow and to determine if clustered cyclones are related to each other. Results suggest that optimal conditions for the occurrence of cyclone clusters are provided by a recurrent extension of an intensified eddy driven jet toward Western Europe lasting at least 1 week. Multiple Rossby wave-breaking occurrences on both the poleward and equatorward flanks of the jet contribute to the development of these anomalous large-scale conditions. The analysis of the daily weather charts reveals that upstream cyclone development (secondary cyclogenesis, where new cyclones are generated on the trailing fronts of mature cyclones) is strongly related to cyclone clustering, with multiple cyclones developing on a single jet streak. The present analysis permits a deeper understanding of the physical reasons leading to the occurrence of cyclone families over the North Atlantic, enabling a better estimation of the associated cumulative risk over Europe.

Dark Matter in the Universe and in the Galaxy

NASA Technical Reports Server (NTRS)

Kamionkowski, Marc

1999-01-01

During the past four years, Prof. Kamionkowski and collaborators have made progress in research on the nature and distribution of dark-matter in the Universe and in the Galaxy, and on related topics in astrophysics and cosmology. We have made progress on research on the cosmic microwave background, large-scale structure, issues related to particle dark matter, and the gamma-ray-burst enigma. A significant fraction of the research supported by this ATP has been on the cosmic microwave background (CMB). Prof. Kamionkowski and collaborators showed how the polarization of the CMB could be used to detect long-wavelength gravitational waves, such as those produced by inflation. With Kosowsky, Prof. Kamionkowski calculated the amplitude of a stochastic gravitational-wave background that could be detected for a satellite experiment of a given sensitivity and angular resolution. They showed that polarization should improve the sensitivity oa MAP to these gravity waves, and that the Planck Surveyor should do even better. Prof. Kamionkowski, Caldwell, and a student calculated and illustrated the CMB temperature/polarization pattern produced by a single plane-wave gravitational wave. They calculated the amplitude of such a wave that would be detectable with MAP and Planck, and compared that with the sensitivity of traditional gravitational-wave detectors like LIGO and LISA. With Lue and Wang, the PI showed how parity violation from new high-energy physics could conceivably give rise to an observable signature in the CMB polarization. With Loeb, Prof. Kamionkowski showed how measurement of the polarization of CMB photons scattered by hot gas in a cluster could be used to determine the quadrupole moment of the CMB incident on that cluster. Prof. Kamionkowski and Jaffe calculated the amplitude of secondary anisotropies produced by scattering of CMB photons from reionized regions. Research has also been carried out on probing the large-scale distribution of mass in the Universe today, and on structure-formation theories. They investigated the possibility of determining the large-scale distribution of mass in the Universe via measurement of ellipticity-ellipticity correlations in the FIRST radio survey induced by weak gravitational lensing due to mass inhomogeneities along the line of sight. Dr. Summers, Prof. Kamionkowski, and a student investigated the distribution of protogalactic masses and angular momenta in an effort to understand how the luminosity function and angular-momentum distribution of disk galaxies arises from an initial power spectrum of density perturbations. Several projects related to the distribution and possible detection of dark matter in our Galactic halo were studied. The PI was involved in several projects involving the calculation of nuclear-reaction rates needed for stellar evolution and for predictions of solar-neutrino fluxes.

Wave energy budget analysis in the Earth’s radiation belts uncovers a missing energy

PubMed Central

Artemyev, A.V.; Agapitov, O.V.; Mourenas, D.; Krasnoselskikh, V.V.; Mozer, F.S.

2015-01-01

Whistler-mode emissions are important electromagnetic waves pervasive in the Earth’s magnetosphere, where they continuously remove or energize electrons trapped by the geomagnetic field, controlling radiation hazards to satellites and astronauts and the upper-atmosphere ionization or chemical composition. Here, we report an analysis of 10-year Cluster data, statistically evaluating the full wave energy budget in the Earth’s magnetosphere, revealing that a significant fraction of the energy corresponds to hitherto generally neglected very oblique waves. Such waves, with 10 times smaller magnetic power than parallel waves, typically have similar total energy. Moreover, they carry up to 80% of the wave energy involved in wave–particle resonant interactions. It implies that electron heating and precipitation into the atmosphere may have been significantly under/over-valued in past studies considering only conventional quasi-parallel waves. Very oblique waves may turn out to be a crucial agent of energy redistribution in the Earth’s radiation belts, controlled by solar activity. PMID:25975615

Experimental Measurement of the Nonlinear Interaction between Counterpropagating Alfv'en Waves in the LaPD

NASA Astrophysics Data System (ADS)

Schroeder, J. W. R.; Drake, D. J.; Howes, G. G.; Skiff, F.; Kletzing, C. A.; Carter, T. A.; Dorfman, S.; Auerbach, D.

2012-10-01

Turbulence plays an important role in the transport of mass and energy in many space and astrophysical plasmas ranging from galaxy clusters to Earth's magnetosphere. One active topic of research is the application of idealized Alfv'enic turbulence models to plasma conditions relevant to space and astrophysical plasmas. Alfv'enic turbulence models based on incompressible magnetohydrodynamics (MHD) contain a nonlinear interaction that drives the cascade of energy to smaller scales. We describe experiments at the Large Plasma Device (LaPD) that focus on the interaction of an Alfv'en wave traveling parallel to the mean magnetic field with a counterpropagating Alfv'en wave. Theory predicts the nonlinear interaction of the two primary waves will produce a secondary daughter Alfv'en wave. In this study, we present the first experimental identification of the daughter wave generated by nonlinear interactions between the primary Alfv'en waves.

Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si 30-Si 38

NASA Astrophysics Data System (ADS)

Yoo, Soohaeng; Shao, Nan; Zeng, X. C.

2009-10-01

We report improved results of lowest-lying silicon clusters Si 30-Si 38. A large population of low-energy clusters are collected from previous searches by several research groups and the binding energies of these clusters are computed using density-functional theory (DFT) methods. Best candidates (isomers with high binding energies) are identified from the screening calculations. Additional constrained search is then performed for the best candidates using the basin-hopping method combined with DFT geometry optimization. The obtained low-lying clusters are classified according to binding energies computed using either the Perdew-Burke-Ernzerhof (PBE) functional or the Becke exchange and Lee-Yang-Parr correlation (BLYP) functional. We propose to rank low-lying clusters according to the mean PBE/BLYP binding energies in view that the PBE functional tends to give greater binding energies for more compact clusters whereas the BLYP functional tends to give greater binding energies for less compact clusters or clusters composed of small-sized magic-number clusters. Except for Si 30, the new search confirms again that medium-size silicon clusters Si 31-Si 38 constructed with proper fullerene cage motifs are most promising to be the lowest-energy structures.

Wavemode identification in the dissipation/dispersion range of solar wind turbulence: Kinetic Alfven Waves and/or Whistlers? (Invited)

NASA Astrophysics Data System (ADS)

Salem, C. S.; Sundkvist, D. J.; Bale, S.

2009-12-01

Electromagnetic fluctuations in the inertial range of solar wind MHD turbulence and beyond (up to frequencies of 10Hz) have been studied for the first time using both magnetic field and electric field measurements on Cluster [Bale et al., 2005]. It has been shown that at frequencies above the spectral breakpoint at ~0.4Hz, in the dissipation range, the wave modes become dispersive and are consistent with Kinetic Alfven Waves (KAW). This interpretation, consistent with findings from recent theoretical studies, is based on the simple assumption that the measured frequency spectrum is actually a Doppler shifted wave number spectrum (ω ≈ k Vsw), commonly used in the solar wind and known as Taylor's hypothesis. While Taylor's hypothesis is valid in the inertial range of solar wind turbulence, it may break down in the dissipation range where temporal fluctuations can become important. We recently analyzed the effect of Doppler shift on KAW as well as compressional proton whistler waves [Salem et al., 2009]. The dispersive properties of the KAW and the whistler wave modes, as well as the electric to magnetic field (E/B) ratio, have been determined both analytically and numerically in the plasma and the spacecraft frame, with the goal of directly comparing those analytical/numerical estimates in the spacecraft frame with the data as measured. We revisit here Cluster electric field and magnetic field data in the solar wind using this approach. We focus our analysis on several ambient solar wind intervals with varying plasma parameters, allowing for a statistical study. We show that this technique provides an efficient diagnostics for wave-mode identification in the dissipation/dispersion range of solar wind turbulence.

Evolution and stability of shock waves in dissipative gases characterized by activated inelastic collisions.

PubMed

Sirmas, N; Radulescu, M I

2015-02-01

Previous experiments have revealed that shock waves driven through dissipative gases may become unstable, for example, in granular gases and in molecular gases undergoing strong relaxation effects. The mechanisms controlling these instabilities are not well understood. We successfully isolated and investigated this instability in the canonical problem of piston-driven shock waves propagating into a medium characterized by inelastic collision processes. We treat the standard model of granular gases, where particle collisions are taken as inelastic, with a constant coefficient of restitution. The inelasticity is activated for sufficiently strong collisions. Molecular dynamic simulations were performed for 30,000 particles. We find that all shock waves investigated become unstable, with density nonuniformities forming in the relaxation region. The wavelength of these fingers is found to be comparable to the characteristic relaxation thickness. Shock Hugoniot curves for both elastic and inelastic collisions were obtained analytically and numerically. Analysis of these curves indicates that the instability is not of the Bethe-Zeldovich-Thompson or D'yakov-Kontorovich type. Analysis of the shock relaxation rates and rates for clustering in a convected fluid element with the same thermodynamic history ruled out the clustering instability of a homogeneous granular gas. Instead, wave reconstruction of the early transient evolution indicates that the onset of instability occurs during repressurization of the gas following the initial relaxation of the medium behind the lead shock. This repressurization gives rise to internal pressure waves in the presence of strong density gradients. This indicates that the mechanism of instability is more likely of the vorticity-generating Richtmyer-Meshkov type, relying on the action of the inner pressure wave development during the transient relaxation.

Study of atmospheric gravity waves and infrasonic sources using the USArray Transportable Array pressure data

NASA Astrophysics Data System (ADS)

Hedlin, Michael; de Groot-Hedlin, Catherine; Hoffmann, Lars; Alexander, M. Joan; Stephan, Claudia

2016-04-01

The upgrade of the USArray Transportable Array (TA) with microbarometers and infrasound microphones has created an opportunity for a broad range of new studies of atmospheric sources and the large- and small-scale atmospheric structure through which signals from these events propagate. These studies are akin to early studies of seismic events and the Earth's interior structure that were made possible by the first seismic networks. In one early study with the new dataset we use the method of de Groot-Hedlin and Hedlin (2015) to recast the TA as a massive collection of 3-element arrays to detect and locate large infrasonic events. Over 2,000 events have been detected in 2013. The events cluster in highly active regions on land and offshore. Stratospherically ducted signals from some of these events have been recorded more than 2,000 km from the source and clearly show dispersion due to propagation through atmospheric gravity waves. Modeling of these signals has been used to test statistical models of atmospheric gravity waves. The network is also useful for making direct observations of gravity waves. We are currently studying TA and satellite observations of gravity waves from singular events to better understand how the waves near ground level relate to those observed aloft. We are also studying the long-term statistics of these waves from the beginning of 2010 through 2014. Early work using data bandpass filtered from 1-6 hr shows that both the TA and satellite data reveal highly active source regions, such as near the Great Lakes. de Groot-Hedlin and Hedlin, 2015, A method for detecting and locating geophysical events using clusters of arrays, Geophysical Journal International, v203, p960-971, doi: 10.1093/gji/ggv345.

Cluster-search based monitoring of local earthquakes in SeisComP3

NASA Astrophysics Data System (ADS)

Roessler, D.; Becker, J.; Ellguth, E.; Herrnkind, S.; Weber, B.; Henneberger, R.; Blanck, H.

2016-12-01

We present a new cluster-search based SeisComP3 module for locating local and regional earthquakes in real time. Real-time earthquake monitoring systems such as SeisComP3 provide the backbones for earthquake early warning (EEW), tsunami early warning (TEW) and the rapid assessment of natural and induced seismicity. For any earthquake monitoring system fast and accurate event locations are fundamental determining the reliability and the impact of further analysis. SeisComP3 in the OpenSource version includes a two-stage detector for picking P waves and a phase associator for locating earthquakes based on P-wave detections. scanloc is a more advanced earthquake location program developed by gempa GmbH with seamless integration into SeisComP3. scanloc performs advanced cluster search to discriminate earthquakes occurring closely in space and time and makes additional use of S-wave detections. It has proven to provide fast and accurate earthquake locations at local and regional distances where it outperforms the base SeisComP3 tools. We demonstrate the performance of scanloc for monitoring induced seismicity as well as local and regional earthquakes in different tectonic regimes including subduction, spreading and intra-plate regions. In particular we present examples and catalogs from real-time monitoring of earthquake in Northern Chile based on data from the IPOC network by GFZ German Research Centre for Geosciences for the recent years. Depending on epicentral distance and data transmission, earthquake locations are available within a few seconds after origin time when using scanloc. The association of automatic S-wave detections provides a better constraint on focal depth.

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

NASA Astrophysics Data System (ADS)

Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

2017-08-01

We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

CytoCluster: A Cytoscape Plugin for Cluster Analysis and Visualization of Biological Networks.

PubMed

Li, Min; Li, Dongyan; Tang, Yu; Wu, Fangxiang; Wang, Jianxin

2017-08-31

Nowadays, cluster analysis of biological networks has become one of the most important approaches to identifying functional modules as well as predicting protein complexes and network biomarkers. Furthermore, the visualization of clustering results is crucial to display the structure of biological networks. Here we present CytoCluster, a cytoscape plugin integrating six clustering algorithms, HC-PIN (Hierarchical Clustering algorithm in Protein Interaction Networks), OH-PIN (identifying Overlapping and Hierarchical modules in Protein Interaction Networks), IPCA (Identifying Protein Complex Algorithm), ClusterONE (Clustering with Overlapping Neighborhood Expansion), DCU (Detecting Complexes based on Uncertain graph model), IPC-MCE (Identifying Protein Complexes based on Maximal Complex Extension), and BinGO (the Biological networks Gene Ontology) function. Users can select different clustering algorithms according to their requirements. The main function of these six clustering algorithms is to detect protein complexes or functional modules. In addition, BinGO is used to determine which Gene Ontology (GO) categories are statistically overrepresented in a set of genes or a subgraph of a biological network. CytoCluster can be easily expanded, so that more clustering algorithms and functions can be added to this plugin. Since it was created in July 2013, CytoCluster has been downloaded more than 9700 times in the Cytoscape App store and has already been applied to the analysis of different biological networks. CytoCluster is available from http://apps.cytoscape.org/apps/cytocluster.

CytoCluster: A Cytoscape Plugin for Cluster Analysis and Visualization of Biological Networks

PubMed Central

Li, Min; Li, Dongyan; Tang, Yu; Wang, Jianxin

2017-01-01

Nowadays, cluster analysis of biological networks has become one of the most important approaches to identifying functional modules as well as predicting protein complexes and network biomarkers. Furthermore, the visualization of clustering results is crucial to display the structure of biological networks. Here we present CytoCluster, a cytoscape plugin integrating six clustering algorithms, HC-PIN (Hierarchical Clustering algorithm in Protein Interaction Networks), OH-PIN (identifying Overlapping and Hierarchical modules in Protein Interaction Networks), IPCA (Identifying Protein Complex Algorithm), ClusterONE (Clustering with Overlapping Neighborhood Expansion), DCU (Detecting Complexes based on Uncertain graph model), IPC-MCE (Identifying Protein Complexes based on Maximal Complex Extension), and BinGO (the Biological networks Gene Ontology) function. Users can select different clustering algorithms according to their requirements. The main function of these six clustering algorithms is to detect protein complexes or functional modules. In addition, BinGO is used to determine which Gene Ontology (GO) categories are statistically overrepresented in a set of genes or a subgraph of a biological network. CytoCluster can be easily expanded, so that more clustering algorithms and functions can be added to this plugin. Since it was created in July 2013, CytoCluster has been downloaded more than 9700 times in the Cytoscape App store and has already been applied to the analysis of different biological networks. CytoCluster is available from http://apps.cytoscape.org/apps/cytocluster. PMID:28858211

Formation of rarefaction waves in origami-based metamaterials

NASA Astrophysics Data System (ADS)

Yasuda, H.; Chong, C.; Charalampidis, E. G.; Kevrekidis, P. G.; Yang, J.

2016-04-01

We investigate the nonlinear wave dynamics of origami-based metamaterials composed of Tachi-Miura polyhedron (TMP) unit cells. These cells exhibit strain softening behavior under compression, which can be tuned by modifying their geometrical configurations or initial folded conditions. We assemble these TMP cells into a cluster of origami-based metamaterials, and we theoretically model and numerically analyze their wave transmission mechanism under external impact. Numerical simulations show that origami-based metamaterials can provide a prototypical platform for the formation of nonlinear coherent structures in the form of rarefaction waves, which feature a tensile wavefront upon the application of compression to the system. We also demonstrate the existence of numerically exact traveling rarefaction waves in an effective lumped-mass model. Origami-based metamaterials can be highly useful for mitigating shock waves, potentially enabling a wide variety of engineering applications.

Clustering and visualizing similarity networks of membrane proteins.

PubMed

Hu, Geng-Ming; Mai, Te-Lun; Chen, Chi-Ming

2015-08-01

We proposed a fast and unsupervised clustering method, minimum span clustering (MSC), for analyzing the sequence-structure-function relationship of biological networks, and demonstrated its validity in clustering the sequence/structure similarity networks (SSN) of 682 membrane protein (MP) chains. The MSC clustering of MPs based on their sequence information was found to be consistent with their tertiary structures and functions. For the largest seven clusters predicted by MSC, the consistency in chain function within the same cluster is found to be 100%. From analyzing the edge distribution of SSN for MPs, we found a characteristic threshold distance for the boundary between clusters, over which SSN of MPs could be properly clustered by an unsupervised sparsification of the network distance matrix. The clustering results of MPs from both MSC and the unsupervised sparsification methods are consistent with each other, and have high intracluster similarity and low intercluster similarity in sequence, structure, and function. Our study showed a strong sequence-structure-function relationship of MPs. We discussed evidence of convergent evolution of MPs and suggested applications in finding structural similarities and predicting biological functions of MP chains based on their sequence information. © 2015 Wiley Periodicals, Inc.

Multiple Scattering of Electromagnetic Waves in Discrete Random Media.

DTIC Science & Technology

1984-12-31

amplitudes Y and Z: (ka(2 - Kal[ < BM>j --=" YN , ( --) 2Kah,(2ka)jq(2Kal)](13) <c;i>,= Z.. e ... + 24c x2( gMx - 1lhq(2kaxlj( 2Kax) dx (15) Equation...written in terms of the T-matrix of clusters of particles which are then averaged over the positions and relative spacing of the particles in the cluster

Nonlinear management of the angular momentum of soliton clusters: Theory and experiment

NASA Astrophysics Data System (ADS)

Fratalocchi, Andrea; Piccardi, Armando; Peccianti, Marco; Assanto, Gaetano

2007-06-01

We demonstrate, both theoretically and experimentally, how to acquire nonlinear control over the angular momentum of a cluster of solitary waves. Our results, stemming from a universal theoretical model, show that the angular momentum can be adjusted by acting on the global energy input in the system. The phenomenon is experimentally ascertained in nematic liquid crystals by observing a power-dependent rotation of a two-soliton ensemble.

Selective memory generalization by spatial patterning of protein synthesis

PubMed Central

O’Donnell, Cian; Sejnowski, Terrence J.

2014-01-01

Summary Protein synthesis is crucial for both persistent synaptic plasticity and long-term memory. De novo protein expression can be restricted to specific neurons within a population, and to specific dendrites within a single neuron. Despite its ubiquity, the functional benefits of spatial protein regulation for learning are unknown. We used computational modeling to study this problem. We found that spatially patterned protein synthesis can enable selective consolidation of some memories but forgetting of others, even for simultaneous events that are represented by the same neural population. Key factors regulating selectivity include the functional clustering of synapses on dendrites, and the sparsity and overlap of neural activity patterns at the circuit level. Based on these findings we proposed a novel two-step model for selective memory generalization during REM and slow-wave sleep. The pattern-matching framework we propose may be broadly applicable to spatial protein signaling throughout cortex and hippocampus. PMID:24742462

Selective memory generalization by spatial patterning of protein synthesis.

PubMed

O'Donnell, Cian; Sejnowski, Terrence J

2014-04-16

Protein synthesis is crucial for both persistent synaptic plasticity and long-term memory. De novo protein expression can be restricted to specific neurons within a population, and to specific dendrites within a single neuron. Despite its ubiquity, the functional benefits of spatial protein regulation for learning are unknown. We used computational modeling to study this problem. We found that spatially patterned protein synthesis can enable selective consolidation of some memories but forgetting of others, even for simultaneous events that are represented by the same neural population. Key factors regulating selectivity include the functional clustering of synapses on dendrites, and the sparsity and overlap of neural activity patterns at the circuit level. Based on these findings, we proposed a two-step model for selective memory generalization during REM and slow-wave sleep. The pattern-matching framework we propose may be broadly applicable to spatial protein signaling throughout cortex and hippocampus. Copyright © 2014 Elsevier Inc. All rights reserved.

Hypercompact Stellar Systems Around Recoiling Supermassive Black Holes

NASA Astrophysics Data System (ADS)

Merritt, David; Schnittman, Jeremy D.; Komossa, S.

2009-07-01

A supermassive black hole ejected from the center of a galaxy by gravitational-wave recoil carries a retinue of bound stars—a "hypercompact stellar system" (HCSS). The numbers and properties of HCSSs contain information about the merger histories of galaxies, the late evolution of binary black holes, and the distribution of gravitational-wave kicks. We relate the structural properties (size, mass, density profile) of HCSSs to the properties of their host galaxies and to the size of the kick in two regimes: collisional (M BH lsim 107 M sun), i.e., short nuclear relaxation times, and collisionless (M BH gsim 107 M sun), i.e., long nuclear relaxation times. HCSSs are expected to be similar in size and luminosity to globular clusters, but in extreme cases (large galaxies, kicks just above escape velocity) their stellar mass can approach that of ultracompact dwarf galaxies. However, they differ from all other classes of compact stellar system in having very high internal velocities. We show that the kick velocity is encoded in the velocity dispersion of the bound stars. Given a large enough sample of HCSSs, the distribution of gravitational-wave kicks can therefore be empirically determined. We combine a hierarchical merger algorithm with stellar population models to compute the rate of production of HCSSs over time and the probability of observing HCSSs in the local universe as a function of their apparent magnitude, color, size, and velocity dispersion, under two different assumptions about the star formation history prior to the kick. We predict that ~102 HCSSs should be detectable within 2 Mpc of the center of the Virgo cluster, and that many of these should be bright enough that their kick velocities (i.e., velocity dispersions) could be measured with reasonable exposure times. We discuss other strategies for detecting HCSSs and speculate on some exotic manifestations.

Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers

NASA Astrophysics Data System (ADS)

Rodriguez, Carl L.; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A.

2018-04-01

We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers.

PubMed

Rodriguez, Carl L; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A

2018-04-13

We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

On nonstationarity and rippling of the quasiperpendicular zone of the Earth bow shock: Cluster observations

NASA Astrophysics Data System (ADS)

Lobzin, V. V.; Krasnoselskikh, V. V.; Musatenko, K.; Dudok de Wit, T.

2008-09-01

A new method for remote sensing of the quasiperpendicular part of the bow shock surface is presented. The method is based on analysis of high frequency electric field fluctuations corresponding to Langmuir, upshifted, and downshifted oscillations in the electron foreshock. Langmuir waves usually have maximum intensity at the upstream boundary of this region. All these waves are generated by energetic electrons accelerated by quasiperpendicular zone of the shock front. Nonstationary behavior of the shock, in particular due to rippling, should result in modulation of energetic electron fluxes, thereby giving rise to variations of Langmuir waves intensity. For upshifted and downshifted oscillations, the variations of both intensity and central frequency can be observed. For the present study, WHISPER measurements of electric field spectra obtained aboard Cluster spacecraft are used to choose 48 crossings of the electron foreshock boundary with dominating Langmuir waves and to perform for the first time a statistical analysis of nonstationary behavior of quasiperpendicular zone of the Earth's bow shock. Analysis of hidden periodicities in plasma wave energy reveals shock front nonstationarity in the frequency range 0.33 fBi

Wave-induced coherent turbulence structures and sediment resuspension in the nearshore of a prototype-scale sandy barrier beach

NASA Astrophysics Data System (ADS)

Kassem, Hachem; Thompson, Charlotte E. L.; Amos, Carl L.; Townend, Ian H.

2015-10-01

The suspension of sediments by oscillatory flows is a complex case of fluid-particle interaction. The aim of this study is to provide insight into the spatial (time) and scale (frequency) relationships between wave-generated boundary layer turbulence and event-driven sediment transport beneath irregular shoaling and breaking waves in the nearshore of a prototype sandy barrier beach, using data collected through the Barrier Dynamics Experiment II (BARDEX II). Statistical, quadrant and spectral analyses reveal the anisotropic and intermittent nature of Reynolds' stresses (momentum exchange) in the wave boundary layer, in all three orthogonal planes of motion. The fractional contribution of coherent turbulence structures appears to be dictated by the structural form of eddies beneath plunging and spilling breakers, which in turn define the net sediment mobilisation towards or away from the barrier, and hence ensuing erosion and accretion trends. A standing transverse wave is also observed in the flume, contributing to the substantial skewness of spanwise turbulence. Observed low frequency suspensions are closely linked to the mean flow (wave) properties. Wavelet analysis reveals that the entrainment and maintenance of sediment in suspension through a cluster of bursting sequence is associated with the passage of intermittent slowly-evolving large structures, which can modulate the frequency of smaller motions. Outside the boundary layer, small scale, higher frequency turbulence drives the suspension. The extent to which these spatially varied perturbation clusters persist is associated with suspension events in the high frequency scales, decaying as the turbulent motion ceases to supply momentum, with an observed hysteresis effect.

Significantly elevated number of human infections with H7N9 virus in Jiangsu in eastern China, October 2016 to January 2017.

PubMed

Huo, Xiang; Chen, Liling; Qi, Xian; Huang, Haodi; Dai, Qigang; Yu, Huiyan; Xia, Yu; Liu, Wendong; Xu, Ke; Ma, Wang; Zhang, Jun; Bao, Changjun

2017-03-30

Since first identified in 2013, the H7N9 virus has caused several waves of human infections in China, with a current wave including a number of patients with very severe disease. Jiangsu is one of the most impacted provinces, whereby as of 31 January 2017, the number of human infections (n = 109) in the ongoing fifth H7N9 wave has exceeded the sum of those in the four preceding ones. Ten of 13 cities in Jiangsu have been affected, and clustered infections as well as one co-infection with seasonal influenza have been observed. With a median age of 58 years and 74.3% (81/109) of patients being male, the characteristics of cases are similar to those in previous waves, however patients with H7N9 seem to have an accelerated disease progression. Preliminary case fatality remains above 30%. No significant viral mutations have been found in key functional loci. Environmental H7N9 detection rate and number of days with high risk ambient temperatures were both significantly elevated during the month of December 2016 when most human infections were reported. A number of municipal governments in Jiangsu have implemented live poultry market closures to impede viral transmission to humans. A detectable decline in human infections has been observed in these municipalities and the entire province since January 2017. This article is copyright of The Authors, 2017.

Seismic envelope-based detection and location of ground-coupled airwaves from volcanoes in Alaska

USGS Publications Warehouse

Fee, David; Haney, Matt; Matoza, Robin S.; Szuberla, Curt A.L.; Lyons, John; Waythomas, Christopher F.

2016-01-01

Volcanic explosions and other infrasonic sources frequently produce acoustic waves that are recorded by seismometers. Here we explore multiple techniques to detect, locate, and characterize ground‐coupled airwaves (GCA) on volcano seismic networks in Alaska. GCA waveforms are typically incoherent between stations, thus we use envelope‐based techniques in our analyses. For distant sources and planar waves, we use f‐k beamforming to estimate back azimuth and trace velocity parameters. For spherical waves originating within the network, we use two related time difference of arrival (TDOA) methods to detect and localize the source. We investigate a modified envelope function to enhance the signal‐to‐noise ratio and emphasize both high energies and energy contrasts within a spectrogram. We apply these methods to recent eruptions from Cleveland, Veniaminof, and Pavlof Volcanoes, Alaska. Array processing of GCA from Cleveland Volcano on 4 May 2013 produces robust detection and wave characterization. Our modified envelopes substantially improve the short‐term average/long‐term average ratios, enhancing explosion detection. We detect GCA within both the Veniaminof and Pavlof networks from the 2007 and 2013–2014 activity, indicating repeated volcanic explosions. Event clustering and forward modeling suggests that high‐resolution localization is possible for GCA on typical volcano seismic networks. These results indicate that GCA can be used to help detect, locate, characterize, and monitor volcanic eruptions, particularly in difficult‐to‐monitor regions. We have implemented these GCA detection algorithms into our operational volcano‐monitoring algorithms at the Alaska Volcano Observatory.

Energetic electrons response to ULF waves induced by interplanetary shocks in the outer radiation belt

NASA Astrophysics Data System (ADS)

Zong, Qiugang

Strong interplanetary shocks interaction with the Earth's magnetosphere would have great impacts on the Earth's magnetosphere. Cluster and Double Star constellation provides an ex-cellent opportunity to study the inner magnetospheric response to a powerful interplanetary solar wind forcing. An interplanetary shock on Nov.7 2004 with the solar wind dynamic pres-sure ˜ 70 nPa (Maximum) induced a large bipolar electric field in the plasmasphere boundary layer as observed by Cluster fleet, the peak-to-peak ∆Ey is more than 60 mV/m. Energetic elec-trons in the outer radiation belt are accelerated almost simultaneously when the interplanetary shock impinges upon the Earth's magnetosphere. Energetic electron bursts are coincident with the induced large electric field, energetic electrons (30 to 500 keV) with 900 pitch angles are accelerated first whereas those electrons are decelerated when the shock-induced electric field turns to positive value. Both toroidal and poloidal mode waves are found to be important but interacting with energetic electron at a different L-shell and a different period. At the Cluster's position (L = 4.4,), poloidal is predominant wave mode whereas at the geosynchronous orbits (L = 6.6), the ULF waves observed by the GOES -10 and -12 satellites are mostly toroidal. For comparison, a rather weak interplanetary shock on Aug. 30, 2001 (dynamic pressure ˜ 2.7 nPa) is also investigated in this paper. It is found that interplanetary shocks or solar wind pressure pulses with even small dynamic pressure change would have non-ignorable role in the radiation belt dynamic. Further, in this paper, our results also reveal the excitation of ULF waves re-sponses on the passing interplanetary shock, especially the importance of difference ULF wave modes when interacting with the energetic electrons in the radiation belt. The damping of the shock induced ULF waves could be separated into two terms: one term corresponds to the generalized Landau damping, the damping rate is large and the damping is fast; the other term corresponds to the damping through ionosphere due to its finite electric conductivity, the damping rate of this item is small and the damping is slow. The fast damping rate at (˜ 10-3 ) is significant larger than the slow damping rate (˜ 10-4 ) suggesting a rapid ULF wave energy lost is via drift resonance with energetic electrons in the radiation belt.

Merging black holes in non-spherical nuclear star clusters

NASA Astrophysics Data System (ADS)

Petrovich, Cristobal

2018-04-01

The Milky Way and a significant fraction of galaxies are observed to host a central Massive Black Hole (MBH) embedded in a non-spherical nuclear star cluster. I will discuss the orbital evolution of stellar binaries in these environments and argue that their merger rates are expected to be greatly enhanced when the effect from cluster potential is taken into account in the binary-MBH triple system. I will apply our results to compact-object binary mergers mediated by gravitational wave radiation and show that this merger channel can contribute significantly to the LIGO/Virgo detections.

Using LISA to Learn How Pairs of Black Holes Formed

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-11-01

Artists impression of the European Space Agencys Laser Interferometer Space Antenna, currently planned for a 2034 launch. [NASA]How are black-hole binaries built? Observations of gravitational waves from these systems made using the European Space Agencys upcoming mission, the Laser Interferometer Space Antenna (LISA) may be able to reveal their origins.Formation ChannelsThere are two primary placeswhere stellar-mass black-hole binaries are thought to form:In isolation in the galactic field, as the components of a stellar binary independently evolve into black holes but remain bound to each other.In dense stellar environments like globular clusters, where the high density of already-formed black holes can cause a pair to dynamically interact and form a binary before being ejected from the cluster.Can we differentiate between these origins based on future detections of gravitational waves from black-hole binaries? A team of scientists led by Katelyn Breivik (CIERA, Northwestern University) thinks that we can!The gravitational-wave spectrum and how we detect it (click for a closer look!). While ground-based interferometers like LIGO detect black-hole binaries in the final moments before merger, LISAs lower frequency band will allow it to detect binaries earlier in their inspiral. [NASA Goddard SFC]Differentiation by EccentricityBreivik and collaborators believe that the key clue is the binarys eccentricity. Gravitational-wave emission will eventually circularize all black-hole binaries during their inspiral. But in the first formation scenario, binary evolution processes like tidal circularization and mass transfer will reduce the binarys eccentricity early on whereas in the second scenario, the binaries that form in globular clusters may retain eccentricity in their orbits long enough that we can detect it.Ground-based interferometers wont be up to this task; by the time the binary orbits shrink enough to evolve into the LIGO frequency band, the orbits wont have measurable eccentricity anymore. But the upcoming space-based LISA mission, which will operate in a lower frequency band, might be able to pick up this signature.To determine if LISA can pull it off, Breivik and collaborators simulate two populations of binary black holes: one evolved in isolation in galactic fields, and the other formed dynamically in globular clusters and then ejected. The authors then explore the evolution of these populations masses and eccentricities as their orbits narrow into the LISA-detectable frequency band.Eccentricity evolution tracks as a function of gravitational-wave frequency for black-hole binaries formed in dynamical scenarios (black) and in isolation (blue for those with a common-envelope episode, green for those without). Eccentricities above 10-2 are measurable for all binaries; those above 10-3 are measurable for 90%. LISAs frequency band is shown in grey. [Breivik et al. 2016]Separating PopulationsBreivik and collaborators find that LISA will be able to make several important distinctions. First, if LISA detects binary black holes with eccentricities of e 0.01 at frequencies above 10-2 Hz, we can be fairly certainthat these originated from dynamical processes in dense stellar environments.For binary black holes detected with eccentricities of e 0.01 at lower frequencies, they could either have formed in dense stellar environments or they could have formed in isolation. Based on this studys results, however, those with measurable eccentricities that formed in isolation mostlikely originated from a common-envelope formation. Measuring eccentricities of such systems in the future could provide constraints on the physics of how this formation mechanism works.Though the field of gravitational-wave astronomy is only just beginning, its future is promising! Theoretical studies like this one will help us to extracta greater understanding from the observations we can expect down the road.BonusCheck out this beautiful simulationfrom Northwestern Visualization and Carl Rodriguez (a co-author on the above study) that shows what the formation of a binary black hole in a globular cluster might look like!http://aasnova.org/wp-content/uploads/2016/11/accelerated_nbody_hd.mp4CitationKatelyn Breivik et al 2016 ApJL 830 L18. doi:10.3847/2041-8205/830/1/L18

Wave-number spectra and intermittency in the terrestrial foreshock region.

PubMed

Narita, Y; Glassmeier, K-H; Treumann, R A

2006-11-10

Wave-number spectra of magnetic field fluctuations are directly determined in the terrestrial foreshock region (upstream of a quasiparallel collisionless shock wave) using four-point Cluster spacecraft measurements. The spectral curve is characterized by three ranges reminiscent of turbulence: energy injection, inertial, and dissipation range. The spectral index for the inertial range spectrum is close to Kolmogorov's slope, -5/3. On the other hand, the fluctuations are highly anisotropic and intermittent perpendicular to the mean magnetic field direction. These results suggest that the foreshock is in a weakly turbulent and intermittent state in which parallel propagating Alfvén waves interact with one another, resulting in the phase coherence or the intermittency.

Six Impossible Things: Fractional Charge From Laughlin's Wave Function

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

Shrivastava, Keshav N.

2010-12-23

The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian.more » (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.« less

Black Hole Mergers in the Universe.

PubMed

Portegies Zwart SF; McMillan

2000-01-01

Mergers of black hole binaries are expected to release large amounts of energy in the form of gravitational radiation. However, binary evolution models predict merger rates that are too low to be of observational interest. In this Letter, we explore the possibility that black holes become members of close binaries via dynamical interactions with other stars in dense stellar systems. In star clusters, black holes become the most massive objects within a few tens of millions of years; dynamical relaxation then causes them to sink to the cluster core, where they form binaries. These black hole binaries become more tightly bound by superelastic encounters with other cluster members and are ultimately ejected from the cluster. The majority of escaping black hole binaries have orbital periods short enough and eccentricities high enough that the emission of gravitational radiation causes them to coalesce within a few billion years. We predict a black hole merger rate of about 1.6x10-7 yr-1 Mpc-3, implying gravity-wave detection rates substantially greater than the corresponding rates from neutron star mergers. For the first-generation Laser Interferometer Gravitational-Wave Observatory (LIGO-I), we expect about one detection during the first 2 years of operation. For its successor LIGO-II, the rate rises to roughly one detection per day. The uncertainties in these numbers are large. Event rates may drop by about an order of magnitude if the most massive clusters eject their black hole binaries early in their evolution.

What if LIGO's gravitational wave detections are strongly lensed by massive galaxy clusters?

NASA Astrophysics Data System (ADS)

Smith, Graham P.; Jauzac, Mathilde; Veitch, John; Farr, Will M.; Massey, Richard; Richard, Johan

2018-04-01

Motivated by the preponderance of so-called `heavy black holes' in the binary black hole (BBH) gravitational wave (GW) detections to date, and the role that gravitational lensing continues to play in discovering new galaxy populations, we explore the possibility that the GWs are strongly lensed by massive galaxy clusters. For example, if one of the GW sources were actually located at z = 1, then the rest-frame mass of the associated BHs would be reduced by a factor of ˜2. Based on the known populations of BBH GW sources and strong-lensing clusters, we estimate a conservative lower limit on the number of BBH mergers detected per detector year at LIGO/Virgo's current sensitivity that are multiply-imaged, of Rdetect ≃ 10-5 yr-1. This is equivalent to rejecting the hypothesis that one of the BBH GWs detected to date was multiply-imaged at ≲4σ. It is therefore unlikely, but not impossible, that one of the GWs is multiply-imaged. We identify three spectroscopically confirmed strong-lensing clusters with well-constrained mass models within the 90 per cent credible sky localizations of the BBH GWs from LIGO's first observing run. In the event that one of these clusters multiply-imaged one of the BBH GWs, we predict that 20-60 per cent of the putative next appearances of the GWs would be detectable by LIGO, and that they would arrive at Earth within 3yr of first detection.

Complementary views on electron spectra: From fluctuation diagnostics to real-space correlations

NASA Astrophysics Data System (ADS)

Gunnarsson, O.; Merino, J.; Schäfer, T.; Sangiovanni, G.; Rohringer, G.; Toschi, A.

2018-03-01

We study the relation between the microscopic properties of a many-body system and the electron spectra, experimentally accessible by photoemission. In a recent paper [O. Gunnarsson et al., Phys. Rev. Lett. 114, 236402 (2015), 10.1103/PhysRevLett.114.236402], we introduced the "fluctuation diagnostics" approach to extract the dominant wave-vector-dependent bosonic fluctuations from the electronic self-energy. Here, we first reformulate the theory in terms of fermionic modes to render its connection with resonance valence bond (RVB) fluctuations more transparent. Second, by using a large-U expansion, where U is the Coulomb interaction, we relate the fluctuations to real-space correlations. Therefore, it becomes possible to study how electron spectra are related to charge, spin, superconductivity, and RVB-like real-space correlations, broadening the analysis of an earlier work [J. Merino and O. Gunnarsson, Phys. Rev. B 89, 245130 (2014), 10.1103/PhysRevB.89.245130]. This formalism is applied to the pseudogap physics of the two-dimensional Hubbard model, studied in the dynamical cluster approximation. We perform calculations for embedded clusters with up to 32 sites, having three inequivalent K points at the Fermi surface. We find that as U is increased, correlation functions gradually attain values consistent with an RVB state. This first happens for correlation functions involving the antinodal point and gradually spreads to the nodal point along the Fermi surface. Simultaneously, a pseudogap opens up along the Fermi surface. We relate this to a crossover from a Kondo-type state to an RVB-like localized cluster state and to the presence of RVB and spin fluctuations. These changes are caused by a strong momentum dependence in the cluster bath couplings along the Fermi surface. We also show, from a more algorithmic perspective, how the time-consuming calculations in fluctuation diagnostics can be drastically simplified.

Uniform deposition of size-selected clusters using Lissajous scanning

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

Beniya, Atsushi; Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Hirata, Hirohito

2016-05-15

Size-selected clusters can be deposited on the surface using size-selected cluster ion beams. However, because of the cross-sectional intensity distribution of the ion beam, it is difficult to define the coverage of the deposited clusters. The aggregation probability of the cluster depends on coverage, whereas cluster size on the surface depends on the position, despite the size-selected clusters are deposited. It is crucial, therefore, to deposit clusters uniformly on the surface. In this study, size-selected clusters were deposited uniformly on surfaces by scanning the cluster ions in the form of Lissajous pattern. Two sets of deflector electrodes set in orthogonalmore » directions were placed in front of the sample surface. Triangular waves were applied to the electrodes with an irrational frequency ratio to ensure that the ion trajectory filled the sample surface. The advantages of this method are simplicity and low cost of setup compared with raster scanning method. The authors further investigated CO adsorption on size-selected Pt{sub n} (n = 7, 15, 20) clusters uniformly deposited on the Al{sub 2}O{sub 3}/NiAl(110) surface and demonstrated the importance of uniform deposition.« less

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

d -wave superconductivity in the presence of nearest-neighbor Coulomb repulsion

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

Jiang, M.; Hahner, U. R.; Schulthess, T. C.

Dynamic cluster quantum Monte Carlo calculations for a doped two-dimensional extended Hubbard model are used to study the stability and dynamics of d-wave pairing when a nearest-neighbor Coulomb repulsion V is present in addition to the on-site Coulomb repulsion U. We find that d-wave pairing and the superconducting transition temperature Tc are only weakly suppressed as long as V does not exceed U/2. This stability is traced to the strongly retarded nature of pairing that allows the d-wave pairs to minimize the repulsive effect of V. When V approaches U/2, large momentum charge fluctuations are found to become important andmore » to give rise to a more rapid suppression of d-wave pairing and T c than for smaller V.« less

Dynamics of Whistler-mode Waves Below LHR Frequency: Application for the Equatorial Noise

NASA Astrophysics Data System (ADS)

Balikhin, M. A.; Shklyar, D. R.

2017-12-01

Plasma waves that are regularly observed in the vicinity of geomagnetic equator since 1970's are often referred to as "equatorial noise" or "equatorial magnetosonic" emission. Currently, it is accepted that these waves can have significant effects on both the processes of loss and acceleration of energetic electrons within the radiation belts. A model to explain the observed features of the equatorial noise is presented. It is assumed that the loss-cone instability of supra-thermal ions is the reason for their generation. It is argued that as these waves propagate their growth/damping rate changes and, therefore the integral wave amplification is more important to explain observed spectral features than the local growth rate. The qualitative correspondence of Cluster observations with dynamical spectra arising from the model is shown.

Metachronal wave of artificial cilia array actuated by applied magnetic field

NASA Astrophysics Data System (ADS)

Tsumori, Fujio; Marume, Ryuma; Saijou, Akinori; Kudo, Kentaro; Osada, Toshiko; Miura, Hideshi

2016-06-01

In this paper, a biomimetic microstructure related to cilia, which are effective fluidic and conveying systems in nature, is described. Authors have already reported that a magnetic elastomer pillar actuated by a rotating magnetic field can work like a natural cilium. In the present work, we show examples of a cilia array with a metachronal wave as the next step. A metachronal wave is a sequential action of a number of cilia. It is theoretically known that a metachronal wave gives a higher fluidic efficiency; however, there has been no report on a metachronal wave by artificial cilia. We prepared magnetic elastomer pillars that contain chainlike clusters of magnetic particles. The orientation of chains was set to be different in each pillar so that each pillar will deform with a different phase.

Neuropsychiatric symptom clusters and functional disability in cognitively-impaired-not-demented individuals.

PubMed

Peters, Kevin R; Rockwood, Kenneth; Black, Sandra E; Hogan, David B; Gauthier, Serge G; Loy-English, Inge; Hsiung, Ging-Yuek R; Jacova, Claudia; Kertesz, Andrew; Feldman, Howard H

2008-02-01

Previous research has shown that cognitively-impaired-not-demented (CIND) individuals with at least one neuropsychiatric symptom (NPS) have more functional disability than individuals without any NPSs. The objectives of the present study were to determine whether there are consistent clusters of NPS in CIND individuals and whether certain NPS clusters are more strongly associated with measures of functional disability than other NPS clusters in this population. This was a cross-sectional baseline study of NPS using the Neuropsychiatric Inventory (NPI) in a national clinic-based observational cohort study (the Canadian Cohort Study of Cognitive Impairment and Related Dementias study). The present investigation focuses on a subset of CIND subjects (73%) whose informant endorsed the presence of at least one NPI item. A hierarchical cluster analysis identified two NPS clusters. One consisted of mood factors (i.e., depression, anxiety, apathy, irritability, and problems with sleep) and the other cluster captured frontal symptoms (i.e., aberrant motor behavior, disinhibition, agitation, and problems with appetite). NPSs grouped within the mood cluster were more common than the frontal cluster (95% of subjects had at least one NPS within the mood cluster versus 53% in the frontal cluster). However, the frontal cluster was more strongly associated with functional disability measures even after controlling for cognitive status (i.e., the Mini-Mental State Exam) and the mood cluster score. The frontal cluster of NPSs was more strongly associated with functional disability than the mood cluster.

Asymptotic stability of spectral-based PDF modeling for homogeneous turbulent flows

NASA Astrophysics Data System (ADS)

Campos, Alejandro; Duraisamy, Karthik; Iaccarino, Gianluca

2015-11-01

Engineering models of turbulence, based on one-point statistics, neglect spectral information inherent in a turbulence field. It is well known, however, that the evolution of turbulence is dictated by a complex interplay between the spectral modes of velocity. For example, for homogeneous turbulence, the pressure-rate-of-strain depends on the integrated energy spectrum weighted by components of the wave vectors. The Interacting Particle Representation Model (IPRM) (Kassinos & Reynolds, 1996) and the Velocity/Wave-Vector PDF model (Van Slooten & Pope, 1997) emulate spectral information in an attempt to improve the modeling of turbulence. We investigate the evolution and asymptotic stability of the IPRM using three different approaches. The first approach considers the Lagrangian evolution of individual realizations (idealized as particles) of the stochastic process defined by the IPRM. The second solves Lagrangian evolution equations for clusters of realizations conditional on a given wave vector. The third evolves the solution of the Eulerian conditional PDF corresponding to the aforementioned clusters. This last method avoids issues related to discrete particle noise and slow convergence associated with Lagrangian particle-based simulations.

Search for continuous gravitational waves from neutron stars in globular cluster NGC 6544

NASA Astrophysics Data System (ADS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M. R.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aiello, L.; Ain, A.; Allen, B.; Allocca, A.; Altin, P. A.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Arceneaux, C. C.; Areeda, J. S.; Arnaud, N.; Arun, K. G.; Ascenzi, S.; Ashton, G.; Ast, M.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; Babak, S.; Bacon, P.; Bader, M. K. M.; Baker, P. T.; Baldaccini, F.; Ballardin, G.; Ballmer, S. W.; Barayoga, J. C.; Barclay, S. E.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barta, D.; Bartlett, J.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Baune, C.; Bavigadda, V.; Bazzan, M.; Bejger, M.; Bell, A. S.; Berger, B. K.; Bergmann, G.; Berry, C. P. L.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Bhagwat, S.; Bhandare, R.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Birney, R.; Biscans, S.; Bisht, A.; Bitossi, M.; Biwer, C.; Bizouard, M. A.; Blackburn, J. K.; Blair, C. D.; Blair, D. G.; Blair, R. M.; Bloemen, S.; Bock, O.; Boer, M.; Bogaert, G.; Bogan, C.; Bohe, A.; Bond, C.; Bondu, F.; Bonnand, R.; Boom, B. A.; Bork, R.; Boschi, V.; Bose, S.; Bouffanais, Y.; Bozzi, A.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brockill, P.; Broida, J. E.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brown, N. M.; Brunett, S.; Buchanan, C. C.; Buikema, A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Buskulic, D.; Buy, C.; Byer, R. L.; Cabero, M.; Cadonati, L.; Cagnoli, G.; Cahillane, C.; Calderón Bustillo, J.; Callister, T.; Calloni, E.; Camp, J. B.; Cannon, K. C.; Cao, J.; Capano, C. D.; Capocasa, E.; Carbognani, F.; Caride, S.; Casanueva Diaz, J.; Casentini, C.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C. B.; Cerboni Baiardi, L.; Cerretani, G.; Cesarini, E.; Chamberlin, S. J.; Chan, M.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Cheeseboro, B. D.; Chen, H. Y.; Chen, Y.; Cheng, C.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Cho, M.; Chow, J. H.; Christensen, N.; Chu, Q.; Chua, S.; Chung, S.; Ciani, G.; Clara, F.; Clark, J. A.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C. G.; Cominsky, L.; Constancio, M.; Conte, A.; Conti, L.; Cook, D.; Corbitt, T. R.; Cornish, N.; Corsi, A.; Cortese, S.; Costa, C. A.; Coughlin, M. W.; Coughlin, S. B.; Coulon, J.-P.; Countryman, S. T.; Couvares, P.; Cowan, E. E.; Coward, D. M.; Cowart, M. J.; Coyne, D. C.; Coyne, R.; Craig, K.; Creighton, J. D. E.; Creighton, T.; Cripe, J.; Crowder, S. G.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dal Canton, T.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Darman, N. S.; Dasgupta, A.; Da Silva Costa, C. F.; Dattilo, V.; Dave, I.; Davier, M.; Davies, G. S.; Daw, E. J.; Day, R.; De, S.; DeBra, D.; Debreczeni, G.; Degallaix, J.; De Laurentis, M.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dergachev, V.; De Rosa, R.; DeRosa, R. T.; DeSalvo, R.; Devine, R. C.; Dhurandhar, S.; Díaz, M. C.; Di Fiore, L.; Di Giovanni, M.; Di Girolamo, T.; Di Lieto, A.; Di Pace, S.; Di Palma, I.; Di Virgilio, A.; Dolique, V.; Donovan, F.; Dooley, K. L.; Doravari, S.; Douglas, R.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Ducrot, M.; Dwyer, S. E.; Edo, T. B.; Edwards, M. C.; Effler, A.; Eggenstein, H.-B.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Engels, W.; Essick, R. C.; Etzel, T.; Evans, M.; Evans, T. M.; Everett, R.; Factourovich, M.; Fafone, V.; Fair, H.; Fan, X.; Fang, Q.; Farinon, S.; Farr, B.; Farr, W. M.; Favata, M.; Fays, M.; Fehrmann, H.; Fejer, M. M.; Fenyvesi, E.; Ferrante, I.; Ferreira, E. C.; Ferrini, F.; Fidecaro, F.; Fiori, I.; Fiorucci, D.; Fisher, R. P.; Flaminio, R.; Fletcher, M.; Fournier, J.-D.; Frasca, S.; Frasconi, F.; Frei, Z.; Freise, A.; Frey, R.; Frey, V.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gabbard, H. A. G.; Gair, J. R.; Gammaitoni, L.; Gaonkar, S. G.; Garufi, F.; Gaur, G.; Gehrels, N.; Gemme, G.; Geng, P.; Genin, E.; Gennai, A.; George, J.; Gergely, L.; Germain, V.; Ghosh, Abhirup; Ghosh, Archisman; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, K.; Glaefke, A.; Goetz, E.; Goetz, R.; Gondan, L.; González, G.; Gonzalez Castro, J. M.; Gopakumar, A.; Gordon, N. A.; Gorodetsky, M. L.; Gossan, S. E.; Gosselin, M.; Gouaty, R.; Grado, A.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greco, G.; Green, A. C.; Groot, P.; Grote, H.; Grunewald, S.; Guidi, G. M.; Guo, X.; Gupta, A.; Gupta, M. K.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hacker, J. J.; Hall, B. R.; Hall, E. D.; Hammond, G.; Haney, M.; Hanke, M. M.; Hanks, J.; Hanna, C.; Hanson, J.; Hardwick, T.; Harms, J.; Harry, G. M.; Harry, I. W.; Hart, M. J.; Hartman, M. T.; Haster, C.-J.; Haughian, K.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Hennig, J.; Henry, J.; Heptonstall, A. W.; Heurs, M.; Hild, S.; Hoak, D.; Hofman, D.; Holt, K.; Holz, D. E.; Hopkins, P.; Hough, J.; Houston, E. A.; Howell, E. J.; Hu, Y. M.; Huang, S.; Huerta, E. A.; Huet, D.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Indik, N.; Ingram, D. R.; Inta, R.; Isa, H. N.; Isac, J.-M.; Isi, M.; Isogai, T.; Iyer, B. R.; Izumi, K.; Jacqmin, T.; Jang, H.; Jani, K.; Jaranowski, P.; Jawahar, S.; Jian, L.; Jiménez-Forteza, F.; Johnson, W. W.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; Haris, K.; Kalaghatgi, C. V.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Kapadia, S. J.; Karki, S.; Karvinen, K. S.; Kasprzack, M.; Katsavounidis, E.; Katzman, W.; Kaufer, S.; Kaur, T.; Kawabe, K.; Kéfélian, F.; Kehl, M. S.; Keitel, D.; Kelley, D. B.; Kells, W.; Kennedy, R.; Key, J. S.; Khalili, F. Y.; Khan, I.; Khan, S.; Khan, Z.; Khazanov, E. A.; Kijbunchoo, N.; Kim, Chi-Woong; Kim, Chunglee; Kim, J.; Kim, K.; Kim, N.; Kim, W.; Kim, Y.-M.; Kimbrell, S. J.; King, E. J.; King, P. J.; Kissel, J. S.; Klein, B.; Kleybolte, L.; Klimenko, S.; Koehlenbeck, S. M.; Koley, S.; Kondrashov, V.; Kontos, A.; Korobko, M.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Kringel, V.; Krishnan, B.; Królak, A.; Krueger, C.; Kuehn, G.; Kumar, P.; Kumar, R.; Kuo, L.; Kutynia, A.; Lackey, B. D.; Landry, M.; Lange, J.; Lantz, B.; Lasky, P. D.; Laxen, M.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lebigot, E. O.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Lee, K.; Lenon, A.; Leonardi, M.; Leong, J. R.; Leroy, N.; Letendre, N.; Levin, Y.; Lewis, J. B.; Li, T. G. F.; Libson, A.; Littenberg, T. B.; Lockerbie, N. A.; Lombardi, A. L.; London, L. T.; Lord, J. E.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J. D.; Lück, H.; Lundgren, A. P.; Lynch, R.; Ma, Y.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magaña-Sandoval, F.; Magaña Zertuche, L.; Magee, R. M.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Mandic, V.; Mangano, V.; Mansell, G. L.; Manske, M.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martelli, F.; Martellini, L.; Martin, I. W.; Martynov, D. V.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Masso-Reid, M.; Mastrogiovanni, S.; Matichard, F.; Matone, L.; Mavalvala, N.; Mazumder, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McGuire, S. C.; McIntyre, G.; McIver, J.; McManus, D. J.; McRae, T.; McWilliams, S. T.; Meacher, D.; Meadors, G. D.; Meidam, J.; Melatos, A.; Mendell, G.; Mercer, R. A.; Merilh, E. L.; Merzougui, M.; Meshkov, S.; Messenger, C.; Messick, C.; Metzdorff, R.; Meyers, P. M.; Mezzani, F.; Miao, H.; Michel, C.; Middleton, H.; Mikhailov, E. E.; Milano, L.; Miller, A. L.; Miller, A.; Miller, B. B.; Miller, J.; Millhouse, M.; Minenkov, Y.; Ming, J.; Mirshekari, S.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Montani, M.; Moore, B. C.; Moore, C. J.; Moraru, D.; Moreno, G.; Morriss, S. R.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, G.; Muir, A. W.; Mukherjee, Arunava; Mukherjee, D.; Mukherjee, S.; Mukund, N.; Mullavey, A.; Munch, J.; Murphy, D. J.; Murray, P. G.; Mytidis, A.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Nedkova, K.; Nelemans, G.; Nelson, T. J. N.; Neri, M.; Neunzert, A.; Newton, G.; Nguyen, T. T.; Nielsen, A. B.; Nissanke, S.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Oberling, J.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oliver, M.; Oppermann, P.; Oram, Richard J.; O'Reilly, B.; O'Shaughnessy, R.; Ottaway, D. J.; Overmier, H.; Owen, B. J.; Pai, A.; Pai, S. A.; Palamos, J. R.; Palashov, O.; Palomba, C.; Pal-Singh, A.; Pan, H.; Pankow, C.; Pannarale, F.; Pant, B. C.; Paoletti, F.; Paoli, A.; Papa, M. A.; Paris, H. R.; Parker, W.; Pascucci, D.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patel, P.; Patricelli, B.; Patrick, Z.; Pearlstone, B. L.; Pedraza, M.; Pedurand, R.; Pekowsky, L.; Pele, A.; Penn, S.; Perreca, A.; Perri, L. M.; Phelps, M.; Piccinni, O. J.; Pichot, M.; Piergiovanni, F.; Pierro, V.; Pillant, G.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poe, M.; Poggiani, R.; Popolizio, P.; Post, A.; Powell, J.; Prasad, J.; Predoi, V.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prix, R.; Prodi, G. A.; Prokhorov, L.; Puncken, O.; Punturo, M.; Puppo, P.; Pürrer, M.; Qi, H.; Qin, J.; Qiu, S.; Quetschke, V.; Quintero, E. A.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Radkins, H.; Raffai, P.; Raja, S.; Rajan, C.; Rakhmanov, M.; Rapagnani, P.; Raymond, V.; Razzano, M.; Re, V.; Read, J.; Reed, C. M.; Regimbau, T.; Rei, L.; Reid, S.; Reitze, D. H.; Rew, H.; Reyes, S. D.; Ricci, F.; Riles, K.; Rizzo, M.; Robertson, N. A.; Robie, R.; Robinet, F.; Rocchi, A.; Rolland, L.; Rollins, J. G.; Roma, V. J.; Romano, R.; Romanov, G.; Romie, J. H.; Rosińska, D.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Sachdev, S.; Sadecki, T.; Sadeghian, L.; Sakellariadou, M.; Salconi, L.; Saleem, M.; Salemi, F.; Samajdar, A.; Sammut, L.; Sanchez, E. J.; Sandberg, V.; Sandeen, B.; Sanders, J. R.; Sassolas, B.; Saulson, P. R.; Sauter, O. E. S.; Savage, R. L.; Sawadsky, A.; Schale, P.; Schilling, R.; Schmidt, J.; Schmidt, P.; Schnabel, R.; Schofield, R. M. S.; Schönbeck, A.; Schreiber, E.; Schuette, D.; Schutz, B. F.; Scott, J.; Scott, S. M.; Sellers, D.; Sengupta, A. S.; Sentenac, D.; Sequino, V.; Sergeev, A.; Setyawati, Y.; Shaddock, D. A.; Shaffer, T.; Shahriar, M. S.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Sheperd, A.; Shoemaker, D. H.; Shoemaker, D. M.; Siellez, K.; Siemens, X.; Sieniawska, M.; Sigg, D.; Silva, A. D.; Singer, A.; Singer, L. P.; Singh, A.; Singh, R.; Singhal, A.; Sintes, A. M.; Slagmolen, B. J. J.; Smith, J. R.; Smith, N. D.; Smith, R. J. E.; Son, E. J.; Sorazu, B.; Sorrentino, F.; Souradeep, T.; Srivastava, A. K.; Staley, A.; Steinke, M.; Steinlechner, J.; Steinlechner, S.; Steinmeyer, D.; Stephens, B. C.; Stone, R.; Strain, K. A.; Straniero, N.; Stratta, G.; Strauss, N. A.; Strigin, S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sun, L.; Sunil, S.; Sutton, P. J.; Swinkels, B. L.; Szczepańczyk, M. J.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tápai, M.; Tarabrin, S. P.; Taracchini, A.; Taylor, R.; Theeg, T.; Thirugnanasambandam, M. P.; Thomas, E. G.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thrane, E.; Tiwari, S.; Tiwari, V.; Tokmakov, K. V.; Toland, K.; Tomlinson, C.; Tonelli, M.; Tornasi, Z.; Torres, C. V.; Torrie, C. I.; Töyrä, D.; Travasso, F.; Traylor, G.; Trifirò, D.; Tringali, M. C.; Trozzo, L.; Tse, M.; Turconi, M.; Tuyenbayev, D.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Usman, S. A.; Vahlbruch, H.; Vajente, G.; Valdes, G.; van Bakel, N.; van Beuzekom, M.; van den Brand, J. F. J.; Van Den Broeck, C.; Vander-Hyde, D. C.; van der Schaaf, L.; van Heijningen, J. V.; van Veggel, A. A.; Vardaro, M.; Vass, S.; Vasúth, M.; Vaulin, R.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Vetrano, F.; Viceré, A.; Vinciguerra, S.; Vine, D. J.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Voss, D. V.; Vousden, W. D.; Vyatchanin, S. P.; Wade, A. R.; Wade, L. E.; Wade, M.; Walker, M.; Wallace, L.; Walsh, S.; Wang, G.; Wang, H.; Wang, M.; Wang, X.; Wang, Y.; Ward, R. L.; Warner, J.; Was, M.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Wen, L.; Weßels, P.; Westphal, T.; Wette, K.; Whelan, J. T.; Whiting, B. F.; Williams, R. D.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M. H.; Winkler, W.; Wipf, C. C.; Wittel, H.; Woan, G.; Woehler, J.; Worden, J.; Wright, J. L.; Wu, D. S.; Wu, G.; Yablon, J.; Yam, W.; Yamamoto, H.; Yancey, C. C.; Yu, H.; Yvert, M.; ZadroŻny, A.; Zangrando, L.; Zanolin, M.; Zendri, J.-P.; Zevin, M.; Zhang, L.; Zhang, M.; Zhang, Y.; Zhao, C.; Zhou, M.; Zhou, Z.; Zhu, X. J.; Zucker, M. E.; Zuraw, S. E.; Zweizig, J.; Sigurdsson, S.; LIGO Scientific Collaboration; Virgo Collaboration

2017-04-01

We describe a directed search for continuous gravitational waves in data from the sixth initial LIGO science run. The target was the nearby globular cluster NGC 6544 at a distance of ≈2.7 kpc . The search covered a broad band of frequencies along with first and second frequency derivatives for a fixed sky position. The search coherently integrated data from the two LIGO interferometers over a time span of 9.2 days using the matched-filtering F -statistic. We found no gravitational-wave signals and set 95% confidence upper limits as stringent as 6.0 ×10-25 on intrinsic strain and 8.5 ×10-6 on fiducial ellipticity. These values beat the indirect limits from energy conservation for stars with characteristic spin-down ages older than 300 years and are within the range of theoretical predictions for possible neutron-star ellipticities. An important feature of this search was use of a barycentric resampling algorithm which substantially reduced computational cost; this method is used extensively in searches of Advanced LIGO and Virgo detector data.

Transitioning NWChem to the Next Generation of Manycore Machines

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

Bylaska, Eric J.; Apra, E; Kowalski, Karol

The NorthWest chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers [1-3]. It contains an umbrella of modules that today includes self-consistent eld (SCF), second order Møller-Plesset perturbation theory (MP2), coupled cluster (CC), multiconguration self-consistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real-time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics (AIMD), Car-Parrinello molecular dynamics (MD), classical MD, hybrid quantum mechanicsmore » molecular mechanics (QM/MM), hybrid ab initio molecular dynamics molecular mechanics (AIMD/MM), gauge independent atomic orbital nuclear magnetic resonance (GIAO NMR), conductor like screening solvation model (COSMO), conductor-like screening solvation model based on density (COSMO-SMD), and reference interaction site model (RISM) solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities [4]. Moreover, new capabilities continue to be added with each new release.« less

Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.

PubMed

Dohn, A O; Jónsson, E Ö; Levi, G; Mortensen, J J; Lopez-Acevedo, O; Thygesen, K S; Jacobsen, K W; Ulstrup, J; Henriksen, N E; Møller, K B; Jónsson, H

2017-12-12

A multiscale density functional theory-quantum mechanics/molecular mechanics (DFT-QM/MM) scheme is presented, based on an efficient electrostatic coupling between the electronic density obtained from a grid-based projector augmented wave (GPAW) implementation of density functional theory and a classical potential energy function. The scheme is implemented in a general fashion and can be used with various choices for the descriptions of the QM or MM regions. Tests on H 2 O clusters, ranging from dimer to decamer show that no systematic energy errors are introduced by the coupling that exceeds the differences in the QM and MM descriptions. Over 1 ns of liquid water, Born-Oppenheimer QM/MM molecular dynamics (MD) are sampled combining 10 parallel simulations, showing consistent liquid water structure over the QM/MM border. The method is applied in extensive parallel MD simulations of an aqueous solution of the diplatinum [Pt 2 (P 2 O 5 H 2 ) 4 ] 4- complex (PtPOP), spanning a total time period of roughly half a nanosecond. An average Pt-Pt distance deviating only 0.01 Å from experimental results, and a ground-state Pt-Pt oscillation frequency deviating by <2% from experimental results were obtained. The simulations highlight a remarkable harmonicity of the Pt-Pt oscillation, while also showing clear signs of Pt-H hydrogen bonding and directional coordination of water molecules along the Pt-Pt axis of the complex.

Dynamical Formation Signatures of Black Hole Binaries in the First Detected Mergers by LIGO

NASA Astrophysics Data System (ADS)

O'Leary, Ryan M.; Meiron, Yohai; Kocsis, Bence

2016-06-01

The dynamical formation of stellar-mass black hole-black hole binaries has long been a promising source of gravitational waves for the Laser Interferometer Gravitational-Wave Observatory (LIGO). Mass segregation, gravitational focusing, and multibody dynamical interactions naturally increase the interaction rate between the most massive black holes in dense stellar systems, eventually leading them to merge. We find that dynamical interactions, particularly three-body binary formation, enhance the merger rate of black hole binaries with total mass M tot roughly as \\propto {M}{{tot}}β , with β ≳ 4. We find that this relation holds mostly independently of the initial mass function, but the exact value depends on the degree of mass segregation. The detection rate of such massive black hole binaries is only further enhanced by LIGO’s greater sensitivity to massive black hole binaries with M tot ≲ 80 {M}⊙ . We find that for power-law BH mass functions dN/dM ∝ M -α with α ≤ 2, LIGO is most likely to detect black hole binaries with a mass twice that of the maximum initial black hole mass and a mass ratio near one. Repeated mergers of black holes inside the cluster result in about ˜5% of mergers being observed between two and three times the maximum initial black hole mass. Using these relations, one may be able to invert the observed distribution to the initial mass function with multiple detections of merging black hole binaries.

The emergence of the galactic stellar mass function from a non-universal IMF in clusters

NASA Astrophysics Data System (ADS)

Dib, Sami; Basu, Shantanu

2018-06-01

We investigate the dependence of a single-generation galactic mass function (SGMF) on variations in the initial stellar mass functions (IMF) of stellar clusters. We show that cluster-to-cluster variations of the IMF lead to a multi-component SGMF where each component in a given mass range can be described by a distinct power-law function. We also show that a dispersion of ≈0.3 M⊙ in the characteristic mass of the IMF, as observed for young Galactic clusters, leads to a low-mass slope of the SGMF that matches the observed Galactic stellar mass function even when the IMFs in the low-mass end of individual clusters are much steeper.

Mass functions for globular cluster main sequences based on CCD photometry and stellar models

NASA Astrophysics Data System (ADS)

McClure, Robert D.; Vandenberg, Don A.; Smith, Graeme H.; Fahlman, Gregory G.; Richer, Harvey B.; Hesser, James E.; Harris, William E.; Stetson, Peter B.; Bell, R. A.

1986-08-01

Main-sequence luminosity functions constructed from CCD observations of globular clusters reveal a strong trend in slope with metal abundance. Theoretical luminosity functions constructed from VandenBerg and Bell's (1985) isochrones have been fitted to the observations and reveal a trend between x, the power-law index of the mass function, and metal abundance. The most metal-poor clusters require an index of about x = 2.5, whereas the most metal-rich clusters exhibit an index of x of roughly -0.5. The luminosity functions for two sparse clusters, E3 and Pal 5, are distinct from those of the more massive clusters, in that they show a turndown which is possibly a result of mass loss or tidal disruption.

Cosmic Ray Streaming in Galaxy Clusters

NASA Astrophysics Data System (ADS)

Wiener, Joshua; Gould Zweibel, Ellen; Oh, Siang P.

2017-08-01

The origin of diffuse radio emission in galaxy clusters remains an open question in astrophysics. This emission indicates the presence of cluster-wide magnetic fields and high energy cosmic ray (CR) electrons. I will discuss how the properties of the observed radio emission in clusters are shaped by different CR transport processes, namely CR streaming. Recent work has shown that fast streaming may turn off radio emission on relatively short time scales - a full treatment of magnetohydrodynamic (MHD) wave damping shows that streaming may be even faster than previously thought in high β environments. I will briefly introduce the physics behind CR transport, and present simple numerical simulations of the Coma cluster that predict radio emission, as well as other observable signatures such as gamma radiation that can differentiate between models for the source of the CR electrons.

Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters

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

Galitskiy, S. A.; Artemyev, A. N.; Jänkälä, K.

2015-01-21

Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li{sub 2−8} are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the single center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some details general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li{submore » 2} are in a good agreement with the available theoretical data, whereas those computed for Li{sub 3−8} clusters can be considered as theoretical predictions.« less

Characterizing Heterogeneity within Head and Neck Lesions Using Cluster Analysis of Multi-Parametric MRI Data.

PubMed

Borri, Marco; Schmidt, Maria A; Powell, Ceri; Koh, Dow-Mu; Riddell, Angela M; Partridge, Mike; Bhide, Shreerang A; Nutting, Christopher M; Harrington, Kevin J; Newbold, Katie L; Leach, Martin O

2015-01-01

To describe a methodology, based on cluster analysis, to partition multi-parametric functional imaging data into groups (or clusters) of similar functional characteristics, with the aim of characterizing functional heterogeneity within head and neck tumour volumes. To evaluate the performance of the proposed approach on a set of longitudinal MRI data, analysing the evolution of the obtained sub-sets with treatment. The cluster analysis workflow was applied to a combination of dynamic contrast-enhanced and diffusion-weighted imaging MRI data from a cohort of squamous cell carcinoma of the head and neck patients. Cumulative distributions of voxels, containing pre and post-treatment data and including both primary tumours and lymph nodes, were partitioned into k clusters (k = 2, 3 or 4). Principal component analysis and cluster validation were employed to investigate data composition and to independently determine the optimal number of clusters. The evolution of the resulting sub-regions with induction chemotherapy treatment was assessed relative to the number of clusters. The clustering algorithm was able to separate clusters which significantly reduced in voxel number following induction chemotherapy from clusters with a non-significant reduction. Partitioning with the optimal number of clusters (k = 4), determined with cluster validation, produced the best separation between reducing and non-reducing clusters. The proposed methodology was able to identify tumour sub-regions with distinct functional properties, independently separating clusters which were affected differently by treatment. This work demonstrates that unsupervised cluster analysis, with no prior knowledge of the data, can be employed to provide a multi-parametric characterization of functional heterogeneity within tumour volumes.

Visualizing and Clustering Protein Similarity Networks: Sequences, Structures, and Functions.

PubMed

Mai, Te-Lun; Hu, Geng-Ming; Chen, Chi-Ming

2016-07-01

Research in the recent decade has demonstrated the usefulness of protein network knowledge in furthering the study of molecular evolution of proteins, understanding the robustness of cells to perturbation, and annotating new protein functions. In this study, we aimed to provide a general clustering approach to visualize the sequence-structure-function relationship of protein networks, and investigate possible causes for inconsistency in the protein classifications based on sequences, structures, and functions. Such visualization of protein networks could facilitate our understanding of the overall relationship among proteins and help researchers comprehend various protein databases. As a demonstration, we clustered 1437 enzymes by their sequences and structures using the minimum span clustering (MSC) method. The general structure of this protein network was delineated at two clustering resolutions, and the second level MSC clustering was found to be highly similar to existing enzyme classifications. The clustering of these enzymes based on sequence, structure, and function information is consistent with each other. For proteases, the Jaccard's similarity coefficient is 0.86 between sequence and function classifications, 0.82 between sequence and structure classifications, and 0.78 between structure and function classifications. From our clustering results, we discussed possible examples of divergent evolution and convergent evolution of enzymes. Our clustering approach provides a panoramic view of the sequence-structure-function network of proteins, helps visualize the relation between related proteins intuitively, and is useful in predicting the structure and function of newly determined protein sequences.

Fruit and vegetable consumption and sports participation among UK Youth.

PubMed

McAloney, Kareena; Graham, Hilary; Law, Catherine; Platt, Lucinda; Wardle, Heather; Hall, Julia

2014-02-01

UK guidelines for youth recommend daily physical activity and five portions of fruit and vegetables per day. This study examined the prevalence and clustering of meeting recommendations among 10- to 15-year old. Data for 3,914 youth, from the first wave of Understanding Society: the UK Household Longitudinal Study, were analysed. Clustering was assessed using the observed/expected ratio method. A minority of youth met both recommendations, and these behaviours were clustered. The odds of meeting both recommendations were lower for older youth and for Pakistani and Bangladeshi youth; boys in lower income households were less likely to meet both recommendations. Most youth met neither recommendation and the behaviours clustered with variations by ethnicity and socioeconomic conditions.

A Multiple Sphere T-Matrix Fortran Code for Use on Parallel Computer Clusters

NASA Technical Reports Server (NTRS)

Mackowski, D. W.; Mishchenko, M. I.

2011-01-01

A general-purpose Fortran-90 code for calculation of the electromagnetic scattering and absorption properties of multiple sphere clusters is described. The code can calculate the efficiency factors and scattering matrix elements of the cluster for either fixed or random orientation with respect to the incident beam and for plane wave or localized- approximation Gaussian incident fields. In addition, the code can calculate maps of the electric field both interior and exterior to the spheres.The code is written with message passing interface instructions to enable the use on distributed memory compute clusters, and for such platforms the code can make feasible the calculation of absorption, scattering, and general EM characteristics of systems containing several thousand spheres.

Disentangling the Dynamical Mechanisms for Cluster Galaxy Evolution

DTIC Science & Technology

2008-02-01

reversible energy and angular momentum exchange between the density wave and the disk matter and the outward transport of these exchanged energy and angular...elapsed time for a smaller z as well. Yet the argument should hold no matter what observation epoch one uses, as long as one concentrates to the regions... matter (CDM) paradigm, galaxy mergers are the preferred means of morphological evolution of galaxies in clusters (see, e.g., Kauffmann 1995). Even though

Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results.

PubMed

Leverentz, Hannah R; Qi, Helena W; Truhlar, Donald G

2013-02-12

The binding energies and relative conformational energies of five configurations of the water 16-mer are computed using 61 levels of density functional (DF) theory, 12 methods combining DF theory with molecular mechanics damped dispersion (DF-MM), seven semiempirical-wave function (SWF) methods, and five methods combining SWF theory with molecular mechanics damped dispersion (SWF-MM). The accuracies of the computed energies are assessed by comparing them to recent high-level ab initio results; this assessment is more relevant to bulk water than previous tests on small clusters because a 16-mer is large enough to have water molecules that participate in more than three hydrogen bonds. We find that for water 16-mer binding energies the best DF, DF-MM, SWF, and SWF-MM methods (and their mean unsigned errors in kcal/mol) are respectively M06-2X (1.6), ωB97X-D (2.3), SCC-DFTB-γ(h) (35.2), and PM3-D (3.2). We also mention the good performance of CAM-B3LYP (1.8), M05-2X (1.9), and TPSSLYP (3.0). In contrast, for relative energies of various water nanoparticle 16-mer structures, the best methods (and mean unsigned errors in kcal/mol), in the same order of classes of methods, are SOGGA11-X (0.3), ωB97X-D (0.2), PM6 (0.4), and PMOv1 (0.6). We also mention the good performance of LC-ωPBE-D3 (0.3) and ωB97X (0.4). When both relative and binding energies are taken into consideration, the best methods overall (out of the 85 tested) are M05-2X without molecular mechanics and ωB97X-D when molecular mechanics corrections are included; with considerably higher average errors and considerably lower cost, the best SWF or SWF-MM method is PMOv1. We use six of the best methods for binding energies of the water 16-mers to calculate the binding energies of water hexamers and water 17-mers to test whether these methods are also reliable for binding energy calculations on other types of water clusters.

Advances in Inner Magnetosphere Passive and Active Wave Research

NASA Technical Reports Server (NTRS)

Green, James L.; Fung, Shing F.

2004-01-01

This review identifies a number of the principal research advancements that have occurred over the last five years in the study of electromagnetic (EM) waves in the Earth's inner magnetosphere. The observations used in this study are from the plasma wave instruments and radio sounders on Cluster, IMAGE, Geotail, Wind, Polar, Interball, and others. The data from passive plasma wave instruments have led to a number of advances such as: determining the origin and importance of whistler mode waves in the plasmasphere, discovery of the source of kilometric continuum radiation, mapping AKR source regions with "pinpoint" accuracy, and correlating the AKR source location with dipole tilt angle. Active magnetospheric wave experiments have shown that long range ducted and direct echoes can be used to obtain the density distribution of electrons in the polar cap and along plasmaspheric field lines, providing key information on plasmaspheric filling rates and polar cap outflows.

Formation of rarefaction waves in origami-based metamaterials

DOE PAGES

Yasuda, H.; Chong, C.; Charalampidis, E. G.; ...

2016-04-15

Here, we investigate the nonlinear wave dynamics of origami-based metamaterials composed of Tachi-Miura polyhedron (TMP) unit cells. These cells exhibit strain softening behavior under compression, which can be tuned by modifying their geometrical configurations or initial folded conditions. We assemble these TMP cells into a cluster of origami-based metamaterials, and we theoretically model and numerically analyze their wave transmission mechanism under external impact. Numerical simulations show that origami-based metamaterials can provide a prototypical platform for the formation of nonlinear coherent structures in the form of rarefaction waves, which feature a tensile wavefront upon the application of compression to the system.more » We also demonstrate the existence of numerically exact traveling rarefaction waves in an effective lumped-mass model. Origami-based metamaterials can be highly useful for mitigating shock waves, potentially enabling a wide variety of engineering applications.« less

Prokaryotic Gene Clusters: A Rich Toolbox for Synthetic Biology

PubMed Central

Fischbach, Michael; Voigt, Christopher A.

2014-01-01

Bacteria construct elaborate nanostructures, obtain nutrients and energy from diverse sources, synthesize complex molecules, and implement signal processing to react to their environment. These complex phenotypes require the coordinated action of multiple genes, which are often encoded in a contiguous region of the genome, referred to as a gene cluster. Gene clusters sometimes contain all of the genes necessary and sufficient for a particular function. As an evolutionary mechanism, gene clusters facilitate the horizontal transfer of the complete function between species. Here, we review recent work on a number of clusters whose functions are relevant to biotechnology. Engineering these clusters has been hindered by their regulatory complexity, the need to balance the expression of many genes, and a lack of tools to design and manipulate DNA at this scale. Advances in synthetic biology will enable the large-scale bottom-up engineering of the clusters to optimize their functions, wake up cryptic clusters, or to transfer them between organisms. Understanding and manipulating gene clusters will move towards an era of genome engineering, where multiple functions can be “mixed-and-matched” to create a designer organism. PMID:21154668

Penalized likelihood and multi-objective spatial scans for the detection and inference of irregular clusters

PubMed Central

2010-01-01

Background Irregularly shaped spatial clusters are difficult to delineate. A cluster found by an algorithm often spreads through large portions of the map, impacting its geographical meaning. Penalized likelihood methods for Kulldorff's spatial scan statistics have been used to control the excessive freedom of the shape of clusters. Penalty functions based on cluster geometry and non-connectivity have been proposed recently. Another approach involves the use of a multi-objective algorithm to maximize two objectives: the spatial scan statistics and the geometric penalty function. Results & Discussion We present a novel scan statistic algorithm employing a function based on the graph topology to penalize the presence of under-populated disconnection nodes in candidate clusters, the disconnection nodes cohesion function. A disconnection node is defined as a region within a cluster, such that its removal disconnects the cluster. By applying this function, the most geographically meaningful clusters are sifted through the immense set of possible irregularly shaped candidate cluster solutions. To evaluate the statistical significance of solutions for multi-objective scans, a statistical approach based on the concept of attainment function is used. In this paper we compared different penalized likelihoods employing the geometric and non-connectivity regularity functions and the novel disconnection nodes cohesion function. We also build multi-objective scans using those three functions and compare them with the previous penalized likelihood scans. An application is presented using comprehensive state-wide data for Chagas' disease in puerperal women in Minas Gerais state, Brazil. Conclusions We show that, compared to the other single-objective algorithms, multi-objective scans present better performance, regarding power, sensitivity and positive predicted value. The multi-objective non-connectivity scan is faster and better suited for the detection of moderately irregularly shaped clusters. The multi-objective cohesion scan is most effective for the detection of highly irregularly shaped clusters. PMID:21034451

Elucidation of flow-mediated tumour cell-induced platelet aggregation using an ultrasound standing wave trap.

PubMed

Bazou, D; Santos-Martinez, M J; Medina, C; Radomski, M W

2011-04-01

Tumour cells activate and aggregate platelets [tumour cell-induced platelet aggregation (TCIPA)] and this process plays an important role in the successful metastasis of cancer cells. To date, most studies on TCIPA have been conducted under no-flow conditions. In this study, we have investigated TCIPA in real time under flow conditions, using an ultrasound standing wave trap that allows formation and levitation of cancer cell clusters in suspension, thus mimicking the conditions generated by flowing blood. Using 59M adenocarcinoma and HT1080 fibrosarcoma cells and human platelets, cancer cell cluster-platelet aggregates were imaged in real time using epi-fluorescence microscopy (F-actin) and investigated in detail using confocal microscopy (matrix metalloproteinase-2-GPIIb/IIIa co-localization) and scanning electron and helium-ion microscopy (<1 nm resolution). The release of gelatinases from aggregates was studied using zymography. We found that platelet activation and aggregation takes place on the surface of cancer cells (TCIPA), leading to time-dependent disruption of cancer cell clusters. Pharmacological modulation of TCIPA revealed that EDTA, prostacyclin, o-phenanthroline and apyrase significantly down-regulated TCIPA and, in turn, delayed cell cluster disruption, However, EGTA and aspirin were ineffective. Pharmacological inhibition of TCIPA correlated with the down-regulation of platelet activation as shown by flow-cytometry assay of platelet P-selectin. Our results show for the first time, that during TCIPA, platelet activation disrupts cancer cell clusters and this can contribute to metastasis. Thus, selective targeting of platelet aggregate-cancer cell clusters may be an important strategy to control metastasis. © 2011 The Authors. British Journal of Pharmacology © 2011 The British Pharmacological Society.

Low-luminosity stellar mass functions in globular clusters

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

Richer, H.B.; Fahlman, G.G.; Buonanno, R.

New data are presented on cluster luminosity functions and mass functions for selected fields in the globular clusters M13 and M71, extending down the main sequence to at least 0.2 solar mass. In this experiment, CCD photometry data were obtained at the prime focus of the CFHT on the cluster fields that were far from the cluster center. Luminosity functions were constructed, using the ADDSTAR routine to correct for the background, and mass functions were derived using the available models. The mass functions obtained for M13 and M71 were compared to existing data for NGC 6397. Results show that (1)more » all three globular clusters display a marked change in slope at about 0.4 solar mass, with the slopes becoming considerably steeper toward lower masses; (2) there is no correlation between the slope of the mass function and metallicity; and (3) the low-mass slope of the mass function for M13 is much steeper than for NGC 6397 and M71. 22 refs.« less

Properties of resonance wave functions.

NASA Technical Reports Server (NTRS)

More, R. M.; Gerjuoy, E.

1973-01-01

Construction and study of resonance wave functions corresponding to poles of the Green's function for several illustrative models of theoretical interest. Resonance wave functions obtained from the Siegert and Kapur-Peierls definitions of the resonance energies are compared. The comparison especially clarifies the meaning of the normalization constant of the resonance wave functions. It is shown that the wave functions may be considered renormalized in a sense analogous to that of quantum field theory. However, this renormalization is entirely automatic, and the theory has neither ad hoc procedures nor infinite quantities.

Cluster observations of reflected EMIC-triggered emission

NASA Astrophysics Data System (ADS)

Grison, B.; Darrouzet, F.; Santolík, O.; Cornilleau-Wehrlin, N.; Masson, A.

2016-05-01

On 19 March 2001, the Cluster fleet recorded an electromagnetic rising tone on the nightside of the plasmasphere. The emission was found to propagate toward the Earth and toward the magnetic equator at a group velocity of about 200 km/s. The Poynting vector is mainly oblique to the background magnetic field and directed toward the Earth. The propagation angle θk,B0 becomes more oblique with increasing magnetic latitude. Inside each rising tone θk,B0 is more field aligned for higher frequencies. Comparing our results to previous ray tracing analysis we conclude that this emission is a triggered electromagnetic ion cyclotron (EMIC) wave generated at the nightside plasmapause. We detect the wave just after its reflection in the plasmasphere. The reflection makes the tone slope shallower. This process can contribute to the formation of pearl pulsations.

Breaking Symmetry in Time-Dependent Electronic Structure Theory to Describe Spectroscopic Properties of Non-Collinear and Chiral Molecules

NASA Astrophysics Data System (ADS)

Goings, Joshua James

Time-dependent electronic structure theory has the power to predict and probe the ways electron dynamics leads to useful phenomena and spectroscopic data. Here we report several advances and extensions of broken-symmetry time-dependent electronic structure theory in order to capture the flexibility required to describe non-equilibrium spin dynamics, as well as electron dynamics for chiroptical properties and vibrational effects. In the first half, we begin by discussing the generalization of self-consistent field methods to the so-called two-component structure in order to capture non-collinear spin states. This means that individual electrons are allowed to take a superposition of spin-1/2 projection states, instead of being constrained to either spin-up or spin-down. The system is no longer a spin eigenfunction, and is known a a spin-symmetry broken wave function. This flexibility to break spin symmetry may lead to variational instabilities in the approximate wave function, and we discuss how these may be overcome. With a stable non-collinear wave function in hand, we then discuss how to obtain electronic excited states from the non-collinear reference, along with associated challenges in their physical interpretation. Finally, we extend the two-component methods to relativistic Hamiltonians, which is the proper setting for describing spin-orbit driven phenomena. We describe the first implementation of the explicit time propagation of relativistic two-component methods and how this may be used to capture spin-forbidden states in electronic absorption spectra. In the second half, we describe the extension of explicitly time-propagated wave functions to the simulation of chiroptical properties, namely circular dichroism (CD) spectra of chiral molecules. Natural circular dichroism, that is, CD in the absence of magnetic fields, originates in the broken parity symmetry of chiral molecules. This proves to be an efficient method for computing circular dichroism spectra for high density-of-states chiral molecules. Next, we explore the impact of allowing nuclear motion on electronic absorption spectra within the context of mixed quantum-classical dynamics. We show that nuclear motion modulates the electronic response, and this gives rise to infrared absorption as well as Raman scattering phenomena in the computed dynamic polarizability. Finally, we explore the accuracy of several perturbative approximations to the equation-of-motion coupled-cluster methods for the efficient and accurate prediction of electronic absorption spectra.

Some simple solutions of Schrödinger's equation for a free particle or for an oscillator

NASA Astrophysics Data System (ADS)

Andrews, Mark

2018-05-01

For a non-relativistic free particle, we show that the evolution of some simple initial wave functions made up of linear segments can be expressed in terms of Fresnel integrals. Examples include the square wave function and the triangular wave function. The method is then extended to wave functions made from quadratic elements. The evolution of all these initial wave functions can also be found for the harmonic oscillator by a transformation of the free evolutions.

An approach to functionally relevant clustering of the protein universe: Active site profile‐based clustering of protein structures and sequences

PubMed Central

Knutson, Stacy T.; Westwood, Brian M.; Leuthaeuser, Janelle B.; Turner, Brandon E.; Nguyendac, Don; Shea, Gabrielle; Kumar, Kiran; Hayden, Julia D.; Harper, Angela F.; Brown, Shoshana D.; Morris, John H.; Ferrin, Thomas E.; Babbitt, Patricia C.

2017-01-01

Abstract Protein function identification remains a significant problem. Solving this problem at the molecular functional level would allow mechanistic determinant identification—amino acids that distinguish details between functional families within a superfamily. Active site profiling was developed to identify mechanistic determinants. DASP and DASP2 were developed as tools to search sequence databases using active site profiling. Here, TuLIP (Two‐Level Iterative clustering Process) is introduced as an iterative, divisive clustering process that utilizes active site profiling to separate structurally characterized superfamily members into functionally relevant clusters. Underlying TuLIP is the observation that functionally relevant families (curated by Structure‐Function Linkage Database, SFLD) self‐identify in DASP2 searches; clusters containing multiple functional families do not. Each TuLIP iteration produces candidate clusters, each evaluated to determine if it self‐identifies using DASP2. If so, it is deemed a functionally relevant group. Divisive clustering continues until each structure is either a functionally relevant group member or a singlet. TuLIP is validated on enolase and glutathione transferase structures, superfamilies well‐curated by SFLD. Correlation is strong; small numbers of structures prevent statistically significant analysis. TuLIP‐identified enolase clusters are used in DASP2 GenBank searches to identify sequences sharing functional site features. Analysis shows a true positive rate of 96%, false negative rate of 4%, and maximum false positive rate of 4%. F‐measure and performance analysis on the enolase search results and comparison to GEMMA and SCI‐PHY demonstrate that TuLIP avoids the over‐division problem of these methods. Mechanistic determinants for enolase families are evaluated and shown to correlate well with literature results. PMID:28054422

An approach to functionally relevant clustering of the protein universe: Active site profile-based clustering of protein structures and sequences.

PubMed

Knutson, Stacy T; Westwood, Brian M; Leuthaeuser, Janelle B; Turner, Brandon E; Nguyendac, Don; Shea, Gabrielle; Kumar, Kiran; Hayden, Julia D; Harper, Angela F; Brown, Shoshana D; Morris, John H; Ferrin, Thomas E; Babbitt, Patricia C; Fetrow, Jacquelyn S

2017-04-01

Protein function identification remains a significant problem. Solving this problem at the molecular functional level would allow mechanistic determinant identification-amino acids that distinguish details between functional families within a superfamily. Active site profiling was developed to identify mechanistic determinants. DASP and DASP2 were developed as tools to search sequence databases using active site profiling. Here, TuLIP (Two-Level Iterative clustering Process) is introduced as an iterative, divisive clustering process that utilizes active site profiling to separate structurally characterized superfamily members into functionally relevant clusters. Underlying TuLIP is the observation that functionally relevant families (curated by Structure-Function Linkage Database, SFLD) self-identify in DASP2 searches; clusters containing multiple functional families do not. Each TuLIP iteration produces candidate clusters, each evaluated to determine if it self-identifies using DASP2. If so, it is deemed a functionally relevant group. Divisive clustering continues until each structure is either a functionally relevant group member or a singlet. TuLIP is validated on enolase and glutathione transferase structures, superfamilies well-curated by SFLD. Correlation is strong; small numbers of structures prevent statistically significant analysis. TuLIP-identified enolase clusters are used in DASP2 GenBank searches to identify sequences sharing functional site features. Analysis shows a true positive rate of 96%, false negative rate of 4%, and maximum false positive rate of 4%. F-measure and performance analysis on the enolase search results and comparison to GEMMA and SCI-PHY demonstrate that TuLIP avoids the over-division problem of these methods. Mechanistic determinants for enolase families are evaluated and shown to correlate well with literature results. © 2017 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

Bridging the gap between atomic microstructure and electronic properties of alloys: The case of (In,Ga)N

NASA Astrophysics Data System (ADS)

Chan, J. A.; Liu, J. Z.; Zunger, Alex

2010-07-01

The atomic microstructure of alloys is rarely perfectly random, instead exhibiting differently shaped precipitates, clusters, zigzag chains, etc. While it is expected that such microstructural features will affect the electronic structures (carrier localization and band gaps), theoretical studies have, until now, been restricted to investigate either perfectly random or artificial “guessed” microstructural features. In this paper, we simulate the alloy microstructures in thermodynamic equilibrium using the static Monte Carlo method and study their electronic structures explicitly using a pseudopotential supercell approach. In this way, we can bridge atomic microstructures with their electronic properties. We derive the atomic microstructures of InGaN using (i) density-functional theory total energies of ˜50 ordered structures to construct a (ii) multibody cluster expansion, including strain effects to which we have applied (iii) static Monte Carlo simulations of systems consisting of over 27000 atoms to determine the equilibrium atomic microstructures. We study two types of alloy thermodynamic behavior: (a) under lattice incoherent conditions, the formation enthalpies are positive and thus the alloy system phase-separates below the miscibility-gap temperature TMG , (b) under lattice coherent conditions, the formation enthalpies can be negative and thus the alloy system exhibits ordering tendency. The microstructure is analyzed in terms of structural motifs (e.g., zigzag chains and InnGa4-nN tetrahedral clusters). The corresponding electronic structure, calculated with the empirical pseudopotentials method, is analyzed in terms of band-edge energies and wave-function localization. We find that the disordered alloys have no electronic localization but significant hole localization, while below the miscibility gap under the incoherent conditions, In-rich precipitates lead to strong electron and hole localization and a reduction in the band gap.

The ACS Survey of Galactic Globular Clusters. VIII. Effects of Environment on Globular Cluster Global Mass Functions

NASA Astrophysics Data System (ADS)

Paust, Nathaniel E. Q.; Reid, I. Neill; Piotto, Giampaolo; Aparicio, Antonio; Anderson, Jay; Sarajedini, Ata; Bedin, Luigi R.; Chaboyer, Brian; Dotter, Aaron; Hempel, Maren; Majewski, Steven; Marín-Franch, A.; Milone, Antonino; Rosenberg, Alfred; Siegel, Michael

2010-02-01

We have used observations obtained as part of the Hubble Space Telescope/ACS Survey of Galactic Globular Clusters to construct global present-day mass functions for 17 globular clusters utilizing multi-mass King models to extrapolate from our observations to the global cluster behavior. The global present-day mass functions for these clusters are well matched by power laws from the turnoff, ≈0.8 M sun, to 0.2-0.3 M sun on the lower main sequence. The slopes of those power-law fits, α, have been correlated with an extensive set of intrinsic and extrinsic cluster properties to investigate which parameters may influence the form of the present-day mass function. We do not confirm previous suggestions of correlations between α and either metallicity or Galactic location. However, we do find a strong statistical correlation with the related parameters central surface brightness, μ V , and inferred central density, ρ0. The correlation is such that clusters with denser cores (stronger binding energy) tend to have steeper mass functions (a higher proportion of low-mass stars), suggesting that dynamical evolution due to external interactions may have played a key role in determining α. Thus, the present-day mass function may owe more to nurture than to nature. Detailed modeling of external dynamical effects is therefore a requisite for determining the initial mass function for Galactic globular clusters.

Galaxy clusters and cold dark matter - A low-density unbiased universe?

NASA Technical Reports Server (NTRS)

Bahcall, Neta A.; Cen, Renyue

1992-01-01

Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

Characterizing Heterogeneity within Head and Neck Lesions Using Cluster Analysis of Multi-Parametric MRI Data

PubMed Central

Borri, Marco; Schmidt, Maria A.; Powell, Ceri; Koh, Dow-Mu; Riddell, Angela M.; Partridge, Mike; Bhide, Shreerang A.; Nutting, Christopher M.; Harrington, Kevin J.; Newbold, Katie L.; Leach, Martin O.

2015-01-01

Purpose To describe a methodology, based on cluster analysis, to partition multi-parametric functional imaging data into groups (or clusters) of similar functional characteristics, with the aim of characterizing functional heterogeneity within head and neck tumour volumes. To evaluate the performance of the proposed approach on a set of longitudinal MRI data, analysing the evolution of the obtained sub-sets with treatment. Material and Methods The cluster analysis workflow was applied to a combination of dynamic contrast-enhanced and diffusion-weighted imaging MRI data from a cohort of squamous cell carcinoma of the head and neck patients. Cumulative distributions of voxels, containing pre and post-treatment data and including both primary tumours and lymph nodes, were partitioned into k clusters (k = 2, 3 or 4). Principal component analysis and cluster validation were employed to investigate data composition and to independently determine the optimal number of clusters. The evolution of the resulting sub-regions with induction chemotherapy treatment was assessed relative to the number of clusters. Results The clustering algorithm was able to separate clusters which significantly reduced in voxel number following induction chemotherapy from clusters with a non-significant reduction. Partitioning with the optimal number of clusters (k = 4), determined with cluster validation, produced the best separation between reducing and non-reducing clusters. Conclusion The proposed methodology was able to identify tumour sub-regions with distinct functional properties, independently separating clusters which were affected differently by treatment. This work demonstrates that unsupervised cluster analysis, with no prior knowledge of the data, can be employed to provide a multi-parametric characterization of functional heterogeneity within tumour volumes. PMID:26398888

Clinical Characteristics of Exacerbation-Prone Adult Asthmatics Identified by Cluster Analysis.

PubMed

Kim, Mi Ae; Shin, Seung Woo; Park, Jong Sook; Uh, Soo Taek; Chang, Hun Soo; Bae, Da Jeong; Cho, You Sook; Park, Hae Sim; Yoon, Ho Joo; Choi, Byoung Whui; Kim, Yong Hoon; Park, Choon Sik

2017-11-01

Asthma is a heterogeneous disease characterized by various types of airway inflammation and obstruction. Therefore, it is classified into several subphenotypes, such as early-onset atopic, obese non-eosinophilic, benign, and eosinophilic asthma, using cluster analysis. A number of asthmatics frequently experience exacerbation over a long-term follow-up period, but the exacerbation-prone subphenotype has rarely been evaluated by cluster analysis. This prompted us to identify clusters reflecting asthma exacerbation. A uniform cluster analysis method was applied to 259 adult asthmatics who were regularly followed-up for over 1 year using 12 variables, selected on the basis of their contribution to asthma phenotypes. After clustering, clinical profiles and exacerbation rates during follow-up were compared among the clusters. Four subphenotypes were identified: cluster 1 was comprised of patients with early-onset atopic asthma with preserved lung function, cluster 2 late-onset non-atopic asthma with impaired lung function, cluster 3 early-onset atopic asthma with severely impaired lung function, and cluster 4 late-onset non-atopic asthma with well-preserved lung function. The patients in clusters 2 and 3 were identified as exacerbation-prone asthmatics, showing a higher risk of asthma exacerbation. Two different phenotypes of exacerbation-prone asthma were identified among Korean asthmatics using cluster analysis; both were characterized by impaired lung function, but the age at asthma onset and atopic status were different between the two. Copyright © 2017 The Korean Academy of Asthma, Allergy and Clinical Immunology · The Korean Academy of Pediatric Allergy and Respiratory Disease

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

Global Observations of Magnetospheric High-m Poloidal Waves During the 22 June 2015 Magnetic Storm

NASA Technical Reports Server (NTRS)

Le, G.; Chi, P. J.; Strangeway, R. J.; Russell, C. T.; Slavin, J. A.; Takahashi, K.; Singer, H. J.; Anderson, B. J.; Bromund, K.; Fischer, D.;

Global observations of magnetospheric high-m poloidal waves during the 22 June 2015 magnetic storm.

PubMed

Le, G; Chi, P J; Strangeway, R J; Russell, C T; Slavin, J A; Takahashi, K; Singer, H J; Anderson, B J; Bromund, K; Fischer, D; Kepko, E L; Magnes, W; Nakamura, R; Plaschke, F; Torbert, R B

2017-04-28

We report global observations of high- m poloidal waves during the recovery phase of the 22 June 2015 magnetic storm from a constellation of widely spaced satellites of five missions including Magnetospheric Multiscale (MMS), Van Allen Probes, Time History of Events and Macroscale Interactions during Substorm (THEMIS), Cluster, and Geostationary Operational Environmental Satellites (GOES). The combined observations demonstrate the global spatial extent of storm time poloidal waves. MMS observations confirm high azimuthal wave numbers ( m  ~ 100). Mode identification indicates the waves are associated with the second harmonic of field line resonances. The wave frequencies exhibit a decreasing trend as L increases, distinguishing them from the single-frequency global poloidal modes normally observed during quiet times. Detailed examination of the instantaneous frequency reveals discrete spatial structures with step-like frequency changes along L . Each discrete L shell has a steady wave frequency and spans about 1  R E , suggesting that there exist a discrete number of drift-bounce resonance regions across L shells during storm times.

Slicing cluster mass functions with a Bayesian razor

NASA Astrophysics Data System (ADS)

Sealfon, C. D.

2010-08-01

We apply a Bayesian ``razor" to forecast Bayes factors between different parameterizations of the galaxy cluster mass function. To demonstrate this approach, we calculate the minimum size N-body simulation needed for strong evidence favoring a two-parameter mass function over one-parameter mass functions and visa versa, as a function of the minimum cluster mass.

The Formation and Early Evolution of Embedded Massive Star Clusters

NASA Astrophysics Data System (ADS)

Barnes, Peter

We propose to combine Spitzer, WISE, Herschel, and other archival spacecraft data with an existing ground- and space-based mm-wave to near-IR survey of molecular clouds over a large portion of the Milky Way, in order to systematically study the formation and early evolution of massive stars and star clusters, and provide new observational calibrations for a theoretical paradigm of this key astrophysical problem. Central Objectives: The Galactic Census of High- and Medium-mass Protostars (CHaMP) is a large, unbiased, uniform, and panchromatic survey of massive star and cluster formation and early evolution, covering 20°x6° of the Galactic Plane. Its uniqueness lies in the comprehensive molecular spectroscopy of 303 massive dense clumps, which have also been included in several archival spacecraft surveys. Our objective is a systematic demographic analysis of massive star and cluster formation, one which has not been possible without knowledge of our CHaMP cloud sample, including all clouds with embedded clusters as well as those that have not yet formed massive stars. For proto-clusters deeply embedded within dense molecular clouds, analysis of these space-based data will: 1. Yield a complete census of Young Stellar Objects in each cluster. 2. Allow systematic measurements of embedded cluster properties: spectral energy distributions, luminosity functions, protostellar and disk fractions, and how these vary with cluster mass, age, and density. Combined with other, similarly complete and unbiased infrared and mm data, CHaMP's goals include: 3. A detailed comparison of the embedded stellar populations with their natal dense gas to derive extinction maps, star formation efficiencies and feedback effects, and the kinematics, physics, and chemistry of the gas in and around the clusters. 4. Tying the demographics, age spreads, and timescales of the clusters, based on pre-Main Sequence evolution, to that of the dense gas clumps and Giant Molecular Clouds. 5. A measurement of the local star formation rate per gas mass surface density in the Milky Way, as well as examining arm versus interarm dependencies. Methods and Techniques: We will primarily use archival cryogenic-Spitzer, WISE, and Herschel data, and support this with existing data from ground- and space-based facilities, to conduct a comprehensive assay of critical metrics (as above) and provide observational calibration of theoretical models over the entire massive star formation process. The mm-wave molecular maps of 303 dense gas clumps in multiple species, comprising all the gas above a column density limit of 100 Msun/pc^2, are already inhand. We have also surveyed the embedded stellar content of these clumps, down to subsolar masses, in the near-infrared J, H, and K bands and with deep Warm Spitzer data. Relevance to NASA programs: Analysis to date of the space- and ground-based data has yielded several new insights into evolutionary timescales and the chemical & energy evolution of clumps during the cluster formation process. Investigations as described in this proposal will yield new demographic insights on how the properties and evolution of molecular clouds relate to the properties of massive stars and clusters that form within them, and significantly enhance the science return from these spacecraft missions. The large number of resulting data products are already being made publicly available to the astronomical community, providing crucial information for future NASA science targets. This research will be performed within the framework of a broad international collaboration spanning four continents. This ambitious but practical program will therefore maximise the science payoff from these archival data sets, provide enhanced legacy data for more advanced studies with the next generation of ground- and space-based instruments such as JWST, and open up several new windows into the discovery space of Galactic star formation & interstellar medium studies.

The aftershock signature of supershear earthquakes.

PubMed

Bouchon, Michel; Karabulut, Hayrullah

2008-06-06

Recent studies show that earthquake faults may rupture at speeds exceeding the shear wave velocity of rocks. This supershear rupture produces in the ground a seismic shock wave similar to the sonic boom produced by a supersonic airplane. This shock wave may increase the destruction caused by the earthquake. We report that supershear earthquakes are characterized by a specific pattern of aftershocks: The fault plane itself is remarkably quiet whereas aftershocks cluster off the fault, on secondary structures that are activated by the supershear rupture. The post-earthquake quiescence of the fault shows that friction is relatively uniform over supershear segments, whereas the activation of off-fault structures is explained by the shock wave radiation, which produces high stresses over a wide zone surrounding the fault.

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

Yasuda, H.; Chong, C.; Charalampidis, E. G.

Here, we investigate the nonlinear wave dynamics of origami-based metamaterials composed of Tachi-Miura polyhedron (TMP) unit cells. These cells exhibit strain softening behavior under compression, which can be tuned by modifying their geometrical configurations or initial folded conditions. We assemble these TMP cells into a cluster of origami-based metamaterials, and we theoretically model and numerically analyze their wave transmission mechanism under external impact. Numerical simulations show that origami-based metamaterials can provide a prototypical platform for the formation of nonlinear coherent structures in the form of rarefaction waves, which feature a tensile wavefront upon the application of compression to the system.more » We also demonstrate the existence of numerically exact traveling rarefaction waves in an effective lumped-mass model. Origami-based metamaterials can be highly useful for mitigating shock waves, potentially enabling a wide variety of engineering applications.« less

Theoretical evidence of charge transfer interaction between SO₂ and deep eutectic solvents formed by choline chloride and glycerol.

PubMed

Li, Hongping; Chang, Yonghui; Zhu, Wenshuai; Wang, Changwei; Wang, Chao; Yin, Sheng; Zhang, Ming; Li, Huaming

2015-11-21

The nature of the interaction between deep eutectic solvents (DESs), formed by ChCl and glycerol, and SO2 has been systematically investigated using the M06-2X density functional combined with cluster models. Block-localized wave function energy decomposition (BLW-ED) analysis shows that the interaction between SO2 and DESs is dominated by a charge transfer interaction. After this interaction, the SO2 molecule becomes negatively charged, whereas the ChCl-glycerol molecule is positively charged, which is the result of Lewis acid-base interaction. The current result affords a theoretical proof that it is highly useful and efficient to manipulate the Lewis acidity of absorbents for SO2 capture. Moreover, hydrogen bonding as well as electrostatic interactions may also contribute to the stability of the complex. Structure analysis shows that solvent molecules will adjust their geometries to interact with SO2. In addition, the structure of SO2 is barely changed after interaction. The interaction energy between different cluster models and SO2 ranges from -6.8 to -14.4 kcal mol(-1). It is found that the interaction energy is very sensitive to the solvent structure. The moderate interaction between ChCl-glycerol and SO2 is consistent with the concept that highly efficient solvents for SO2 absorption should not only be solvable but also regenerable.

The X-ray luminosity functions of Abell clusters from the Einstein Cluster Survey

NASA Technical Reports Server (NTRS)

Burg, R.; Giacconi, R.; Forman, W.; Jones, C.

1994-01-01

We have derived the present epoch X-ray luminosity function of northern Abell clusters using luminosities from the Einstein Cluster Survey. The sample is sufficiently large that we can determine the luminosity function for each richness class separately with sufficient precision to study and compare the different luminosity functions. We find that, within each richness class, the range of X-ray luminosity is quite large and spans nearly a factor of 25. Characterizing the luminosity function for each richness class with a Schechter function, we find that the characteristic X-ray luminosity, L(sub *), scales with richness class as (L(sub *) varies as N(sub*)(exp gamma), where N(sub *) is the corrected, mean number of galaxies in a richness class, and the best-fitting exponent is gamma = 1.3 +/- 0.4. Finally, our analysis suggests that there is a lower limit to the X-ray luminosity of clusters which is determined by the integrated emission of the cluster member galaxies, and this also scales with richness class. The present sample forms a baseline for testing cosmological evolution of Abell-like clusters when an appropriate high-redshift cluster sample becomes available.

Dawn in the Apollo Valley

NASA Image and Video Library

2013-12-18

Beam Wave Guide antennas at Goldstone, known as the Beam Waveguide Cluster. They are located in an area at Goldstone called Apollo Valley. The Goldstone Deep Space Communications Complex is located in the Mojave Desert in California, USA.

Identification of the low-energy excitations in a quantum critical system

NASA Astrophysics Data System (ADS)

Heitmann, Tom; Lamsal, Jagat; Watson, Shannon; Erwin, Ross; Chen, Wangchun; Zhao, Yang; Montfrooij, Wouter

2017-05-01

We have identified low-energy magnetic excitations in a doped quantum critical system by means of polarized neutron scattering experiments. The presence of these excitations could explain why Ce(Fe0.76Ru0.24)2Ge2 displays dynamical scaling in the absence of local critical behavior or long-range spin-density wave criticality. The low-energy excitations are associated with the reorientations of the superspins of fully ordered, isolated magnetic clusters that form spontaneously upon lowering the temperature. The system houses both frozen clusters and dynamic clusters, as predicted by Hoyos and Vojta [Phys. Rev. B 74, 140401(R) (2006)].

The magnetic field investigation on Cluster

NASA Technical Reports Server (NTRS)

Balogh, A.; Cowley, S. W. H.; Southwood, D. J.; Musmann, G.; Luhr, H.; Neubauer, F. M.; Glassmeier, K.-H.; Riedler, W.; Heyn, M. F.; Acuna, M. H.

1988-01-01

The magnetic field investigation of the Cluster four-spacecraft mission is designed to provide intercalibrated measurements of the B magnetic field vector. The instrumentation and data processing of the mission are discussed. The instrumentation is identical on the four spacecraft. It consists of two triaxial fluxgate sensors and of a failure tolerant data processing unit. The combined analysis of the four spacecraft data will yield such parameters as the current density vector, wave vectors, and the geometry and structure of discontinuities.

Recent Insights into the Nature of Turbulence in the Solar Wind

NASA Technical Reports Server (NTRS)

Goldstein, Melvun L.

2008-01-01

During the past several years, studies of solar wind turbulence using data from Cluster and other spacecraft, and results from new numerical simulations, have revealed new aspects of solar wind turbulence. I will try to highlight some of that research. At the shortest length scales and highest frequencies, there is renewed interest in determining how the turbulence dissipates, e.g., whether by kinetic Alfven waves or whistler turbulence. Finding observational evidence for exponential damping of solar wind fluctuations has proven challenging. New studies using a combination of flux gate and search coil magnetometer data from Cluster have extended this search (in the spacecraft frame of reference) to more than 10 Hertz. New models and simulations are also being used to study the dissipation. A detailed study of fluctuations in the magnetosheath suggests that turbulent dissipation could be occurring at very thin current sheets as had been suggested by two-dimensional MHD simulations more than 20 years ago. Data from the four Cluster spacecraft, now at their maximum separation of 10,000 km provide new opportunities to investigate the symmetry properties, scale lengths, and the relative proportion of magnetic energy in parallel and perpendicular wave numbers of solar wind turbulence. By utilizing well-calibrated electron data, it has been possible to take advantage of the tetrahedral separation of Cluster in the solar wind near apogee to measure directly the compressibility and vorticity of the solar wind plasma.

Effect of Calcifications on Breast Ultrasound Shear Wave Elastography: An Investigational Study.

PubMed

Gregory, Adriana; Mehrmohammadi, Mohammad; Denis, Max; Bayat, Mahdi; Stan, Daniela L; Fatemi, Mostafa; Alizad, Azra

2015-01-01

To investigate the effects of macrocalcifications and clustered microcalcifications associated with benign breast masses on shear wave elastography (SWE). SuperSonic Imagine (SSI) and comb-push ultrasound shear elastography (CUSE) were performed on three sets of phantoms to investigate how calcifications of different sizes and distributions influence measured elasticity. To demonstrate the effect in vivo, three female patients with benign breast masses associated with mammographically-identified calcifications were evaluated by CUSE. Apparent maximum elasticity (Emax) estimates resulting from individual macrocalcifications (with diameters of 2mm, 3mm, 5mm, 6mm, 9mm, 11mm, and 15mm) showed values over 50 kPa for all cases, which represents more than 100% increase over background (~21kPa). We considered a 2cm-diameter circular region of interest for all phantom experiments. Mean elasticity (Emean) values varied from 26 kPa to 73 kPa, depending on the macrocalcification size. Highly dense clusters of microcalcifications showed higher Emax values than clusters of microcalcification with low concentrations, but the difference in Emean values was not significant. Our results demonstrate that the presence of large isolated macrocalcifications and highly concentrated clusters of microcalcifications can introduce areas with apparent high elasticity in SWE. Considering that benign breast masses normally have significantly lower elasticity values than malignant tumors, such areas with high elasticity appearing due to presence of calcification in benign breast masses may lead to misdiagnosis.

An ensemble framework for clustering protein-protein interaction networks.

PubMed

Asur, Sitaram; Ucar, Duygu; Parthasarathy, Srinivasan

2007-07-01

Protein-Protein Interaction (PPI) networks are believed to be important sources of information related to biological processes and complex metabolic functions of the cell. The presence of biologically relevant functional modules in these networks has been theorized by many researchers. However, the application of traditional clustering algorithms for extracting these modules has not been successful, largely due to the presence of noisy false positive interactions as well as specific topological challenges in the network. In this article, we propose an ensemble clustering framework to address this problem. For base clustering, we introduce two topology-based distance metrics to counteract the effects of noise. We develop a PCA-based consensus clustering technique, designed to reduce the dimensionality of the consensus problem and yield informative clusters. We also develop a soft consensus clustering variant to assign multifaceted proteins to multiple functional groups. We conduct an empirical evaluation of different consensus techniques using topology-based, information theoretic and domain-specific validation metrics and show that our approaches can provide significant benefits over other state-of-the-art approaches. Our analysis of the consensus clusters obtained demonstrates that ensemble clustering can (a) produce improved biologically significant functional groupings; and (b) facilitate soft clustering by discovering multiple functional associations for proteins. Supplementary data are available at Bioinformatics online.

Photon wave function formalism for analysis of Mach–Zehnder interferometer and sum-frequency generation

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

Ritboon, Atirach, E-mail: atirach.3.14@gmail.com; Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112; Daengngam, Chalongrat, E-mail: chalongrat.d@psu.ac.th

2016-08-15

Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach–Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.

Generic short-time propagation of sharp-boundaries wave packets

NASA Astrophysics Data System (ADS)

Granot, E.; Marchewka, A.

2005-11-01

A general solution to the "shutter" problem is presented. The propagation of an arbitrary initially bounded wave function is investigated, and the general solution for any such function is formulated. It is shown that the exact solution can be written as an expression that depends only on the values of the function (and its derivatives) at the boundaries. In particular, it is shown that at short times (t << 2mx2/hbar, where x is the distance to the boundaries) the wave function propagation depends only on the wave function's values (or its derivatives) at the boundaries of the region. Finally, we generalize these findings to a non-singular wave function (i.e., for wave packets with finite-width boundaries) and suggest an experimental verification.

Proximity effect assisted absorption enhancement in thin film with locally clustered nanoholes.

PubMed

Wu, Shaolong; Zhang, Cheng; Li, Xiaofeng; Zhan, Yaohui

2015-03-01

We focus on the light-trapping characteristics of a thin film with locally clustered nanoholes (NHs), considering that the clustering effect is usually encountered in preparing the nanostructures. Our full-wave finite-element simulation indicates that an intentionally introduced clustering effect could be employed for improving the light-trapping performance of the nanostructured thin film. For a 100 nm thick amorphous silicon film, an optimal clustering design with NH diameter of 100 nm is able to double the integrated optical absorption over the solar spectrum, compared to the planar counterpart, as well as show much improved optical performance over that of the nonclustered setup. A further insight into the underlying physics explains the outstanding light-trapping capability in terms of the increased available modes, a stronger power coupling efficiency, a higher fraction of electric field concentrated in absorbable material, and a higher density of photon states.

Pattern Selection and Super-Patterns in Opinion Dynamics

NASA Astrophysics Data System (ADS)

Ben-Naim, Eli; Scheel, Arnd

We study pattern formation in the bounded confidence model of opinion dynamics. In this random process, opinion is quantified by a single variable. Two agents may interact and reach a fair compromise, but only if their difference of opinion falls below a fixed threshold. Starting from a uniform distribution of opinions with compact support, a traveling wave forms and it propagates from the domain boundary into the unstable uniform state. Consequently, the system reaches a steady state with isolated clusters that are separated by distance larger than the interaction range. These clusters form a quasi-periodic pattern where the sizes of the clusters and the separations between them are nearly constant. We obtain analytically the average separation between clusters L. Interestingly, there are also very small quasi-periodic modulations in the size of the clusters. The spatial periods of these modulations are a series of integers that follow from the continued-fraction representation of the irrational average separation L.

EXPLORING FUNCTIONAL CONNECTIVITY IN FMRI VIA CLUSTERING.

PubMed

Venkataraman, Archana; Van Dijk, Koene R A; Buckner, Randy L; Golland, Polina

2009-04-01

In this paper we investigate the use of data driven clustering methods for functional connectivity analysis in fMRI. In particular, we consider the K-Means and Spectral Clustering algorithms as alternatives to the commonly used Seed-Based Analysis. To enable clustering of the entire brain volume, we use the Nyström Method to approximate the necessary spectral decompositions. We apply K-Means, Spectral Clustering and Seed-Based Analysis to resting-state fMRI data collected from 45 healthy young adults. Without placing any a priori constraints, both clustering methods yield partitions that are associated with brain systems previously identified via Seed-Based Analysis. Our empirical results suggest that clustering provides a valuable tool for functional connectivity analysis.

Functional Interference Clusters in Cancer Patients With Bone Metastases: A Secondary Analysis of RTOG 9714

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

Chow, Edward, E-mail: Edward.Chow@sunnybrook.c; James, Jennifer; Barsevick, Andrea

Purpose: To explore the relationships (clusters) among the functional interference items in the Brief Pain Inventory (BPI) in patients with bone metastases. Methods: Patients enrolled in the Radiation Therapy Oncology Group (RTOG) 9714 bone metastases study were eligible. Patients were assessed at baseline and 4, 8, and 12 weeks after randomization for the palliative radiotherapy with the BPI, which consists of seven functional items: general activity, mood, walking ability, normal work, relations with others, sleep, and enjoyment of life. Principal component analysis with varimax rotation was used to determine the clusters between the functional items at baseline and the follow-up.more » Cronbach's alpha was used to determine the consistency and reliability of each cluster at baseline and follow-up. Results: There were 448 male and 461 female patients, with a median age of 67 years. There were two functional interference clusters at baseline, which accounted for 71% of the total variance. The first cluster (physical interference) included normal work and walking ability, which accounted for 58% of the total variance. The second cluster (psychosocial interference) included relations with others and sleep, which accounted for 13% of the total variance. The Cronbach's alpha statistics were 0.83 and 0.80, respectively. The functional clusters changed at week 12 in responders but persisted through week 12 in nonresponders. Conclusion: Palliative radiotherapy is effective in reducing bone pain. Functional interference component clusters exist in patients treated for bone metastases. These clusters changed over time in this study, possibly attributable to treatment. Further research is needed to examine these effects.« less

A person-centered approach to the multifaceted nature of young adult sexual behavior.

PubMed

McGuire, Jenifer K; Barber, Bonnie L

2010-07-01

Young adult sexual relationships were examined using a multifaceted, person-centered approach with data from Wave 7 (aged 20-21; N = 1,126) of the Michigan Study of Adolescent Life Transitions. The study utilized hierarchical cluster analyses based on the following measured variables: frequency of sex, importance of regularly having sex, satisfaction with sex life, experience of coercion for sex, and sexual risk reduction. Five distinct clusters emerged for females (Satisfied, Moderate, Active Unprotected, Pressured, and Inactive) and represented patterns such as more partners paired with less risk reduction (Active Unprotected), high satisfaction paired with frequent sex and high-risk reduction (Satisfied), or higher levels of coercion paired with low satisfaction and low-risk reduction (Pressured). Similar clusters emerged for males, with one additional cluster: the Dissatisfied cluster. Clusters differed with respect to relationship status, marital status, and psychological well-being (both males and females) and parental divorce, living situation, and sexual orientation (females only).

Stable platinum nanoclusters on genomic DNA–graphene oxide with a high oxygen reduction reaction activity

PubMed Central

Tiwari, Jitendra N.; Nath, Krishna; Kumar, Susheel; Tiwari, Rajanish N.; Kemp, K. Christian; Le, Nhien H.; Youn, Duck Hyun; Lee, Jae Sung; Kim, Kwang S.

2013-01-01

Nanosize platinum clusters with small diameters of 2–4 nm are known to be excellent catalysts for the oxygen reduction reaction. The inherent catalytic activity of smaller platinum clusters has not yet been reported due to a lack of preparation methods to control their size (<2 nm). Here we report the synthesis of platinum clusters (diameter ≤1.4 nm) deposited on genomic double-stranded DNA–graphene oxide composites, and their high-performance electrocatalysis of the oxygen reduction reaction. The electrochemical behaviour, characterized by oxygen reduction reaction onset potential, half-wave potential, specific activity, mass activity, accelerated durability test (10,000 cycles) and cyclic voltammetry stability (10,000 cycles) is attributed to the strong interaction between the nanosize platinum clusters and the DNA–graphene oxide composite, which induces modulation in the electronic structure of the platinum clusters. Furthermore, we show that the platinum cluster/DNA–graphene oxide composite possesses notable environmental durability and stability, vital for high-performance fuel cells and batteries. PMID:23900456

Microdomains of muscarinic acetylcholine and Ins(1,4,5)P3 receptors create ‘Ins(1,4,5)P3 junctions’ and sites of Ca2+ wave initiation in smooth muscle

PubMed Central

Olson, Marnie L.; Sandison, Mairi E.; Chalmers, Susan; McCarron, John G.

2012-01-01

Summary Increases in cytosolic Ca2+ concentration ([Ca2+]c) mediated by inositol (1,4,5)-trisphosphate [Ins(1,4,5)P3, hereafter InsP3] regulate activities that include division, contraction and cell death. InsP3-evoked Ca2+ release often begins at a single site, then regeneratively propagates through the cell as a Ca2+ wave. The Ca2+ wave consistently begins at the same site on successive activations. Here, we address the mechanisms that determine the Ca2+ wave initiation site in intestinal smooth muscle cells. Neither an increased sensitivity of InsP3 receptors (InsP3R) to InsP3 nor regional clustering of muscarinic receptors (mAChR3) or InsP3R1 explained the selection of an initiation site. However, examination of the overlap of mAChR3 and InsP3R1 localisation, by centre of mass analysis, revealed that there was a small percentage (∼10%) of sites that showed colocalisation. Indeed, the extent of colocalisation was greatest at the Ca2+ wave initiation site. The initiation site might arise from a selective delivery of InsP3 from mAChR3 activity to particular InsP3Rs to generate faster local [Ca2+]c increases at sites of colocalisation. In support of this hypothesis, a localised subthreshold ‘priming’ InsP3 concentration applied rapidly, but at regions distant from the initiation site, shifted the wave to the site of the priming. Conversely, when the Ca2+ rise at the initiation site was rapidly and selectively attenuated, the Ca2+ wave again shifted and initiated at a new site. These results indicate that Ca2+ waves initiate where there is a structural and functional coupling of mAChR3 and InsP3R1, which generates junctions in which InsP3 acts as a highly localised signal by being rapidly and selectively delivered to InsP3R1. PMID:22946060

Generation of intermittent gravitocapillary waves via parametric forcing

NASA Astrophysics Data System (ADS)

Castillo, Gustavo; Falcón, Claudio

2018-04-01

We report on the generation of an intermittent wave field driven by a horizontally moving wave maker interacting with Faraday waves. The spectrum of the local gravitocapillary surface wave fluctuations displays a power law in frequency for a wide range of forcing parameters. We compute the probability density function of the local surface height increments, which show that they change strongly across time scales. The structure functions of these increments are shown to display power laws as a function of the time lag, with exponents that are nonlinear functions of the order of the structure function. We argue that the origin of this scale-invariant intermittent spectrum is the Faraday wave pattern breakup due to its advection by the propagating gravity waves. Finally, some interpretations are proposed to explain the appearance of this intermittent spectrum.

A Symmetric Time-Varying Cluster Rate of Descent Model

NASA Technical Reports Server (NTRS)

Ray, Eric S.

2015-01-01

A model of the time-varying rate of descent of the Orion vehicle was developed based on the observed correlation between canopy projected area and drag coefficient. This initial version of the model assumes cluster symmetry and only varies the vertical component of velocity. The cluster fly-out angle is modeled as a series of sine waves based on flight test data. The projected area of each canopy is synchronized with the primary fly-out angle mode. The sudden loss of projected area during canopy collisions is modeled at minimum fly-out angles, leading to brief increases in rate of descent. The cluster geometry is converted to drag coefficient using empirically derived constants. A more complete model is under development, which computes the aerodynamic response of each canopy to its local incidence angle.

High-performance dynamic quantum clustering on graphics processors

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

Wittek, Peter, E-mail: peterwittek@acm.org

2013-01-15

Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up tomore » two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.« less

Charge and energy migration in molecular clusters: A stochastic Schrödinger equation approach.

PubMed

Plehn, Thomas; May, Volkhard

2017-01-21

The performance of stochastic Schrödinger equations for simulating dynamic phenomena in large scale open quantum systems is studied. Going beyond small system sizes, commonly used master equation approaches become inadequate. In this regime, wave function based methods profit from their inherent scaling benefit and present a promising tool to study, for example, exciton and charge carrier dynamics in huge and complex molecular structures. In the first part of this work, a strict analytic derivation is presented. It starts with the finite temperature reduced density operator expanded in coherent reservoir states and ends up with two linear stochastic Schrödinger equations. Both equations are valid in the weak and intermediate coupling limit and can be properly related to two existing approaches in literature. In the second part, we focus on the numerical solution of these equations. The main issue is the missing norm conservation of the wave function propagation which may lead to numerical discrepancies. To illustrate this, we simulate the exciton dynamics in the Fenna-Matthews-Olson complex in direct comparison with the data from literature. Subsequently a strategy for the proper computational handling of the linear stochastic Schrödinger equation is exposed particularly with regard to large systems. Here, we study charge carrier transfer kinetics in realistic hybrid organic/inorganic para-sexiphenyl/ZnO systems of different extension.

Charge and energy migration in molecular clusters: A stochastic Schrödinger equation approach

NASA Astrophysics Data System (ADS)

Plehn, Thomas; May, Volkhard

2017-01-01

The performance of stochastic Schrödinger equations for simulating dynamic phenomena in large scale open quantum systems is studied. Going beyond small system sizes, commonly used master equation approaches become inadequate. In this regime, wave function based methods profit from their inherent scaling benefit and present a promising tool to study, for example, exciton and charge carrier dynamics in huge and complex molecular structures. In the first part of this work, a strict analytic derivation is presented. It starts with the finite temperature reduced density operator expanded in coherent reservoir states and ends up with two linear stochastic Schrödinger equations. Both equations are valid in the weak and intermediate coupling limit and can be properly related to two existing approaches in literature. In the second part, we focus on the numerical solution of these equations. The main issue is the missing norm conservation of the wave function propagation which may lead to numerical discrepancies. To illustrate this, we simulate the exciton dynamics in the Fenna-Matthews-Olson complex in direct comparison with the data from literature. Subsequently a strategy for the proper computational handling of the linear stochastic Schrödinger equation is exposed particularly with regard to large systems. Here, we study charge carrier transfer kinetics in realistic hybrid organic/inorganic para-sexiphenyl/ZnO systems of different extension.

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

PubMed

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

International Workshop on Computational Condensed Matter Physics (5th) Held in Trieste, Italy on 16-18 January 1991. Programme and Abstracts

DTIC Science & Technology

1991-01-18

wave bases in the study of bulk crystals , surfces. liquids, and clusters. However, since plane waves provide uniform representation of bhysical...applied to the crystal . These statements are substantiated by converged total energy studies , and calculations of elec- tronic states, pressure...In addition, there will be one (or more) poster session(s). This activitv is co-sponsored by the Scuola Internazionale di Studi Avanzati (SISSA

LITHO1.0: An Updated Crust and Lithosphere Model of the Earth

DTIC Science & Technology

2010-09-01

wc arc uncertain what causes the remainder of the discrepancy. The measurement discrepancies are much smaller than the signal in the data, and the...short-period group velocity data measured with a new technique which are sensitive to lid properties as well as crustal thickness and average...most progress was made on surface-wave measurements . We use a cluster analysis technique to measure surface-wave group velocity from lOmHz to 40mHz

Compact near-IR and mid-IR cavity ring down spectroscopy device

NASA Technical Reports Server (NTRS)

Miller, J. Houston (Inventor)

2011-01-01

This invention relates to a compact cavity ring down spectrometer for detection and measurement of trace species in a sample gas using a tunable solid-state continuous-wave mid-infrared PPLN OPO laser or a tunable low-power solid-state continuous wave near-infrared diode laser with an algorithm for reducing the periodic noise in the voltage decay signal which subjects the data to cluster analysis or by averaging of the interquartile range of the data.

Visual analysis of immiscible displacement processes in porous media under ultrasound effect

NASA Astrophysics Data System (ADS)

Naderi, Khosrow; Babadagli, Tayfun

2011-05-01

The effect of sonic waves, in particular, ultrasonic radiation, on immiscible displacement in porous media and enhanced oil recovery has been of interest for more than five decades. Attempts were made to investigate the effect through core scale experimental or theoretical models. Visual experiments are useful to scrutinize the reason for improved oil recovery under acoustic waves of different frequency but are not abundant in literature. In this paper, we report observations and analyses as to the effects of ultrasonic energy on immiscible displacement and interaction of the fluid matrix visually in porous media through two-dimensional (2D) sand pack experiments. 2D glass bead models with different wettabilities were saturated with different viscosity oils and water was injected into the models. The experiments were conducted with and without ultrasound. Dynamic water injection experiments were preferred as they had both viscous and capillary forces in effect. The displacement patterns were evaluated both in terms of their shape, size, and the interface characteristics quantitatively and qualitatively to account for the effects of ultrasonic waves on the displacement and the reason for increased oil production under this type of sonic wave. More compact clusters were observed when ultrasonic energy was present in water-wet systems. In the oil-wet cases, more oil was produced after breakthrough when ultrasound was applied and no compact clusters were formed in contrast to the water-wet cases.

Variability of the Magnetic Field Power Spectrum in the Solar Wind at Electron Scales

NASA Astrophysics Data System (ADS)

Roberts, Owen Wyn; Alexandrova, O.; Kajdič, P.; Turc, L.; Perrone, D.; Escoubet, C. P.; Walsh, A.

2017-12-01

At electron scales, the power spectrum of solar-wind magnetic fluctuations can be highly variable and the dissipation mechanisms of the magnetic energy into the various particle species is under debate. In this paper, we investigate data from the Cluster mission’s STAFF Search Coil magnetometer when the level of turbulence is sufficiently high that the morphology of the power spectrum at electron scales can be investigated. The Cluster spacecraft sample a disturbed interval of plasma where two streams of solar wind interact. Meanwhile, several discontinuities (coherent structures) are seen in the large-scale magnetic field, while at small scales several intermittent bursts of wave activity (whistler waves) are present. Several different morphologies of the power spectrum can be identified: (1) two power laws separated by a break, (2) an exponential cutoff near the Taylor shifted electron scales, and (3) strong spectral knees at the Taylor shifted electron scales. These different morphologies are investigated by using wavelet coherence, showing that, in this interval, a clear break and strong spectral knees are features that are associated with sporadic quasi parallel propagating whistler waves, even for short times. On the other hand, when no signatures of whistler waves at ∼ 0.1{--}0.2{f}{ce} are present, a clear break is difficult to find and the spectrum is often more characteristic of a power law with an exponential cutoff.

Vlasov Simulation of Electrostatic Solitary Structures in Multi-Component Plasmas

NASA Technical Reports Server (NTRS)

Umeda, Takayuki; Ashour-Abdalla, Maha; Pickett, Jolene S.; Goldstein, Melvyn L.

2012-01-01

Electrostatic solitary structures have been observed in the Earth's magnetosheath by the Cluster spacecraft. Recent theoretical work has suggested that these solitary structures are modeled by electron acoustic solitary waves existing in a four-component plasma system consisting of core electrons, two counter-streaming electron beams, and one species of background ions. In this paper, the excitation of electron acoustic waves and the formation of solitary structures are studied by means of a one-dimensional electrostatic Vlasov simulation. The present result first shows that either electron acoustic solitary waves with negative potential or electron phase-space holes with positive potential are excited in four-component plasma systems. However, these electrostatic solitary structures have longer duration times and higher wave amplitudes than the solitary structures observed in the magnetosheath. The result indicates that a high-speed and small free energy source may be needed as a fifth component. An additional simulation of a five-component plasma consisting of a stable four-component plasma and a weak electron beam shows the generation of small and fast electron phase-space holes by the bump-on-tail instability. The physical properties of the small and fast electron phase-space holes are very similar to those obtained by the previous theoretical analysis. The amplitude and duration time of solitary structures in the simulation are also in agreement with the Cluster observation.

Hole pairing and ground state properties of high-Tc superconductivity within the t-t'-J-V model

NASA Astrophysics Data System (ADS)

Roy, Krishanu; Pal, Papiya; Nath, Subhadip; Ghosh, Nanda Kumar

2018-04-01

The t-t'-J-V model, one of the realistic models for studying high-Tc cuprates, has been investigated to explore the hole pairing and other ground state properties using exact diagonalization (ED) technique with 2 holes in a small 8-site cluster. The role of next-nearest-neighbor (NNN) hopping and nearest-neighbor (NN) Coulomb repulsion has been considered. It appears that qualitative behavior of the ground state energies of an 8-site and 16- or 18-site cluster is similar. Results show that a small short-ranged antiferromagnetic (AF) correlation exists in the 2 hole case which is favored by large V/t. A superconducting phase emerges at 0 ≤ V/t ≤ 4J. Hole-hole correlation calculation also suggests that the two holes of the pair are either at |i - j| = 1 or √2. Negative t'/t suppresses the possibility of pairing of holes. Though s-wave pairing susceptibility is dominant, pairing correlation length calculation indicates that the long range pairing, which is suitable for superconductivity, is in the d-wave channel. Both s- and d-wave pairing susceptibility gets suppressed by V/t while d-(s-) wave susceptibility gets favored (suppressed) by t'/t. The charge gap shows a gapped behavior while a spin-gapless region exists at small V/t for finite t'/t.

Reproducibility of Cognitive Profiles in Psychosis Using Cluster Analysis.

PubMed

Lewandowski, Kathryn E; Baker, Justin T; McCarthy, Julie M; Norris, Lesley A; Öngür, Dost

2018-04-01

Cognitive dysfunction is a core symptom dimension that cuts across the psychoses. Recent findings support classification of patients along the cognitive dimension using cluster analysis; however, data-derived groupings may be highly determined by sampling characteristics and the measures used to derive the clusters, and so their interpretability must be established. We examined cognitive clusters in a cross-diagnostic sample of patients with psychosis and associations with clinical and functional outcomes. We then compared our findings to a previous report of cognitive clusters in a separate sample using a different cognitive battery. Participants with affective or non-affective psychosis (n=120) and healthy controls (n=31) were administered the MATRICS Consensus Cognitive Battery, and clinical and community functioning assessments. Cluster analyses were performed on cognitive variables, and clusters were compared on demographic, cognitive, and clinical measures. Results were compared to findings from our previous report. A four-cluster solution provided a good fit to the data; profiles included a neuropsychologically normal cluster, a globally impaired cluster, and two clusters of mixed profiles. Cognitive burden was associated with symptom severity and poorer community functioning. The patterns of cognitive performance by cluster were highly consistent with our previous findings. We found evidence of four cognitive subgroups of patients with psychosis, with cognitive profiles that map closely to those produced in our previous work. Clusters were associated with clinical and community variables and a measure of premorbid functioning, suggesting that they reflect meaningful groupings: replicable, and related to clinical presentation and functional outcomes. (JINS, 2018, 24, 382-390).

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Assessment of renal injury with a clinical dual head lithotriptor delivering 240 shock waves per minute.

PubMed

Handa, Rajash K; McAteer, James A; Evan, Andrew P; Connors, Bret A; Pishchalnikov, Yuri A; Gao, Sujuan

2009-02-01

Lithotriptors with 2 treatment heads deliver shock waves along separate paths. Firing 1 head and then the other in alternating mode has been suggested as a strategy to treat stones twice as rapidly as with conventional shock wave lithotripsy. Because the shock wave rate is known to have a role in shock wave lithotripsy induced injury, and given that treatment using 2 separate shock wave sources exposes more renal tissue to shock wave energy than treatment with a conventional lithotriptor, we assessed renal trauma in pigs following treatment at rapid rate (240 shock waves per minute and 120 shock waves per minute per head) using a Duet lithotriptor (Direx Medical Systems, Petach Tikva, Israel) fired in alternating mode. Eight adult female pigs (Hardin Farms, Danville, Indiana) each were treated with sham shock wave lithotripsy or 2,400 shock waves delivered in alternating mode (1,200 shock waves per head, 120 shock waves per minute per head and 240 shock waves per minute overall at a power level of 10) to the lower renal pole. Renal functional parameters, including glomerular filtration rate and effective renal plasma flow, were determined before and 1 hour after shock wave lithotripsy. The kidneys were perfusion fixed in situ and the hemorrhagic lesion was quantified as a percent of functional renal volume. Shock wave treatment resulted in no significant change in renal function and the response was similar to the functional response seen in sham shock wave treated animals. In 6 pigs treated with alternating mode the renal lesion was small at a mean +/- SEM of 0.22% +/- 0.09% of functional renal volume. Kidney tissue and function were minimally affected by a clinical dose of shock waves delivered in alternating mode (120 shock waves per minute per head and 240 shock waves per minute overall) with a Duet lithotriptor. These observations decrease concern that dual head lithotripsy at a rapid rate is inherently dangerous.

The young star cluster population of M51 with LEGUS - II. Testing environmental dependences

NASA Astrophysics Data System (ADS)

Messa, Matteo; Adamo, A.; Calzetti, D.; Reina-Campos, M.; Colombo, D.; Schinnerer, E.; Chandar, R.; Dale, D. A.; Gouliermis, D. A.; Grasha, K.; Grebel, E. K.; Elmegreen, B. G.; Fumagalli, M.; Johnson, K. E.; Kruijssen, J. M. D.; Östlin, G.; Shabani, F.; Smith, L. J.; Whitmore, B. C.

2018-06-01

It has recently been established that the properties of young star clusters (YSCs) can vary as a function of the galactic environment in which they are found. We use the cluster catalogue produced by the Legacy Extragalactic UV Survey (LEGUS) collaboration to investigate cluster properties in the spiral galaxy M51. We analyse the cluster population as a function of galactocentric distance and in arm and inter-arm regions. The cluster mass function exhibits a similar shape at all radial bins, described by a power law with a slope close to -2 and an exponential truncation around 105 M⊙. While the mass functions of the YSCs in the spiral arm and inter-arm regions have similar truncation masses, the inter-arm region mass function has a significantly steeper slope than the one in the arm region, a trend that is also observed in the giant molecular cloud mass function and predicted by simulations. The age distribution of clusters is dependent on the region considered, and is consistent with rapid disruption only in dense regions, while little disruption is observed at large galactocentric distances and in the inter-arm region. The fraction of stars forming in clusters does not show radial variations, despite the drop in the H2 surface density measured as a function of galactocentric distance. We suggest that the higher disruption rate observed in the inner part of the galaxy is likely at the origin of the observed flat cluster formation efficiency radial profile.

Free iterative-complement-interaction calculations of the hydrogen molecule

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

Kurokawa, Yusaku; Nakashima, Hiroyuki; Nakatsuji, Hiroshi

2005-12-15

The free iterative-complement-interaction (ICI) method based on the scaled Schroedinger equation proposed previously has been applied to the calculations of very accurate wave functions of the hydrogen molecule in an analytical expansion form. All the variables were determined with the variational principle by calculating the necessary integrals analytically. The initial wave function and the scaling function were changes to see the effects on the convergence speed of the ICI calculations. The free ICI wave functions that were generated automatically were different from the existing wave functions, and this difference was shown to be physically important. The best wave function reportedmore » in this paper seems to be the best worldwide in the literature from the variational point of view. The quality of the wave function was examined by calculating the nuclear and electron cusps.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

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

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE PAGES

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

2017-01-30

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Coherent molecular transistor: control through variation of the gate wave function.

PubMed

Ernzerhof, Matthias

2014-03-21

In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

Double-Difference Global Adjoint Tomography

NASA Astrophysics Data System (ADS)

Orsvuran, R.; Bozdag, E.; Lei, W.; Tromp, J.

2017-12-01

The adjoint method allows us to incorporate full waveform simulations in inverse problems. Misfit functions play an important role in extracting the relevant information from seismic waveforms. In this study, our goal is to apply the Double-Difference (DD) methodology proposed by Yuan et al. (2016) to global adjoint tomography. Dense seismic networks, such as USArray, lead to higher-resolution seismic images underneath continents. However, the imbalanced distribution of stations and sources poses challenges in global ray coverage. We adapt double-difference multitaper measurements to global adjoint tomography. We normalize each DD measurement by its number of pairs, and if a measurement has no pair, as may frequently happen for data recorded at oceanic stations, classical multitaper measurements are used. As a result, the differential measurements and pair-wise weighting strategy help balance uneven global kernel coverage. Our initial experiments with minor- and major-arc surface waves show promising results, revealing more pronounced structure near dense networks while reducing the prominence of paths towards cluster of stations. We have started using this new measurement in global adjoint inversions, addressing azimuthal anisotropy in upper mantle. Meanwhile, we are working on combining the double-difference approach with instantaneous phase measurements to emphasize contributions of scattered waves in global inversions and extending it to body waves. We will present our results and discuss challenges and future directions in the context of global tomographic inversions.

Parity-violating electric-dipole transitions in helium

NASA Technical Reports Server (NTRS)

Hiller, J.; Sucher, J.; Bhatia, A. K.; Feinberg, G.

1980-01-01

The paper examines parity-violating electric-dipole transitions in He in order to gain insight into the reliability of approximate calculations which are carried out for transitions in many-electron atoms. The contributions of the nearest-lying states are computed with a variety of wave functions, including very simple product wave functions, Hartree-Fock functions and Hylleraas-type wave functions with up to 84 parameters. It is found that values of the matrix elements of the parity-violating interaction can differ considerably from the values obtained from the good wave functions, even when these simple wave functions give accurate values for the matrix elements in question

Earthquake cluster activity beneath the Tanzawa Mountains region, Japan: Migration of hypocenters and low stress drop

NASA Astrophysics Data System (ADS)

Yamada, T.; Yukutake, Y.

2013-12-01

An earthquake cluster activity was observed beneath the Tanzawa Mountains region, Japan with a depth of 20 km in the end of January, 2012. Japan Meteorological Agency (JMA) determined hypocenters of 76 earthquakes with M > 2 in the area within 50 hours. Five of them had magnitudes greater than 4 and the largest one was 5.4. Four out of the five earthquakes had the reverse-type focal mechanisms with the P axis in the NW-SE direction. First we relocated hypocenters of the activity following the method of Yukutake et al. (2012). We estimated relative arrival times of P and S waves by calculating the coefficients of the cross correlation and relocated hypocenters with the double-difference relocation method (Waldhauser and Ellsworth, 2000). We found that the cluster activity showed a migration from the first earthquake of the activity. The parabolic migration speed was consistent with the migration speed of the deep tremor sources (Ide et al., 2010) for which the fluid activity would play an important role. We then analyzed stress drops of 17 earthquakes with M > 3.5 that occurred from January, 2000 to June, 2012 in the area of the cluster activity. We calculated empirical Green's functions from waveforms of earthquakes with magnitudes of 3.0 to 3.2 and estimated stress drops of the earthquakes assuming that the source spectra can be expressed as the omega-squared model. We found that earthquakes of the cluster activity had smaller stress drops by an order of magnitude than the values of earthquakes that occurred in the same area before the cluster activity. These results suggest that the fluid played an important role for the earthquake cluster activity. That is, the fluid increased the pore pressure, decreased the effective normal stress and triggered the cluster activity. The difference of the rupture speed and the change of the rigidity might also be candidates that account for our results. They, however, can hardly explain the results quantitatively. Fig.(a) Elapsed time and distance from the first earthquake. Parabolic line shows constant diffusivity. (b) Temporal change in values of stress drop. Horizontal broken lines indicate the value of 60 MPa. Earthquakes of the cluster activity had smaller values of stress drop by an order of magnitude.

The effects of old and recent migration waves in the distribution of HBB*S globin gene haplotypes

PubMed Central

Lindenau, Juliana D.; Wagner, Sandrine C.; de Castro, Simone M.; Hutz, Mara H.

2016-01-01

Abstract Sickle cell hemoglobin is the result of a mutation at the sixth amino acid position of the beta (β) globin chain. The HBB*S gene is in linkage disequilibrium with five main haplotypes in the β-globin-like gene cluster named according to their ethnic and geographic origins: Bantu (CAR), Benin (BEN), Senegal (SEN), Cameroon (CAM) and Arabian-Indian (ARAB). These haplotypes demonstrated that the sickle cell mutation arose independently at least five times in human history. The distribution of βS haplotypes among Brazilian populations showed a predominance of the CAR haplotype. American populations were clustered in two groups defined by CAR or BEN haplotype frequencies. This scenario is compatible with historical records about the slave trade in the Americas. When all world populations where the sickle cell gene occurs were analyzed, three clusters were disclosed based on CAR, BEN or ARAB haplotype predominance. These patterns may change in the next decades due to recent migrations waves. Since these haplotypes show different clinical characteristics, these recent migrations events raise the necessity to develop optimized public health programs for sickle cell disease screening and management. PMID:27706371

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

PubMed

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

Thirty-minutes' exposure to smartphone call triggers neutrophil activation in vitro.

PubMed

Lippi, Giuseppe; Danese, Elisa; Brocco, Giorgio; Benati, Marco; Salvagno, Gian Luca; Montagnana, Martina; Franchini, Massimo

2016-09-01

Despite accumulating evidence about the negative health effects of exposure to electromagnetic fields emitted by mobile phones, no information is available on the potential impact of radiofrequency (RF) waves on polymorphonuclear leukocytes biology. Two sequential whole blood tubes were collected from 16 ostensibly healthy volunteers. After placing the former tube of each subject in a plastic rack, 1 cm from a commercial smartphone (carrier frequency, 900 MHz), a call was placed on the smartphone and a communication lasting 30 min was manually activated. The latter blood tube of each volunteer was placed in another plastic rack, for an identical period of time, avoiding close contact with sources of RF waves. A complete blood count was then assessed in all whole blood samples, using Advia 2120. The 30-min exposure of blood to RF waves did not induce significant variations of total and differential leukocyte counts. A significant decrease was however observed for many neutrophils parameters, with median percentage variation of -3.9% for the lobularity index (LI), -29.8% for the myeloperoxidase index (MPXI), -0.6% for the neutrophil cluster mean x (NEUTx) and -0.7% for the neutrophil cluster mean y (NEUTy), respectively. The percentage of blood samples with reduced values after exposure to RF waves was 81% for LI, 88% for NEUTx and 100% for both MPXI and NEUTy. The results of this study show that exposure to smartphone RF waves triggers activation of neutrophils in vitro, as mirrored by the significant variations observed in many activation parameters in Advia 2120.

Coherent control of alkali cluster fragmentation dynamics

NASA Astrophysics Data System (ADS)

Lindinger, Albrecht; Lupulescu, Cosmin; Bartelt, Andreas; Vajda, Štefan; Wöste, Ludger

2003-06-01

Metal clusters exhibit extraordinary chemical and catalytic properties, which sensitively depend upon their size. This behavior makes them interesting candidates for the real-time analysis of ultrafast photo-induced processes—ultimately leading to coherent control scenarii. We have performed transient multi-photon ionization experiments on small alkali clusters of different size in order to probe their wave packet dynamics, structural reorientations, charge transfers and dissociative events in different vibrationally excited electronic states including their ground state. The observed processes were highly dependent on the irradiated pulse parameters, like its phase, amplitude and duration; an emphasis to employ a feedback control system for generating the optimum pulse shapes. Their spectral and temporal behavior reflects interesting properties about the investigated system and the irradiated photochemical process. We present first the vibrational dynamics of bound, dissociated, and pre-dissociated electronically excited states of alkali dimers and trimers. The scheme for observing the wave packet dynamics in the electronic ground state using stimulated Raman-pumping is shown. Since the employed pulse parameters significantly influence the efficiency of the irradiated dynamic pathways photo-induced fragmentation experiments on bifurcating reaction channels were carried out. In these experiments different branching ionization and fragmentation pathways of electronically excited Na 2K were investigated. By employing an evolutionary algorithm for optimizing the phase and amplitude of the applied laser field, the yield of the resulting parent or fragment ions could significantly be influenced and interesting features could be concluded from the obtained optimum pulse shapes revealing the characteristic molecular oscillation period. Moreover, the influence on the optimal pulse shape due to fragmentation from larger clusters into NaK is obtained. The substructure of the optimal pulse shape thereby offers new insight into the fragmentation channel during the control process. Characteristic motions of the involved wave packets are proposed, in order to explain the optimized dynamic dissociation pathways.

Symptom Clusters in Advanced Cancer Patients: An Empirical Comparison of Statistical Methods and the Impact on Quality of Life.

PubMed

Dong, Skye T; Costa, Daniel S J; Butow, Phyllis N; Lovell, Melanie R; Agar, Meera; Velikova, Galina; Teckle, Paulos; Tong, Allison; Tebbutt, Niall C; Clarke, Stephen J; van der Hoek, Kim; King, Madeleine T; Fayers, Peter M

2016-01-01

Symptom clusters in advanced cancer can influence patient outcomes. There is large heterogeneity in the methods used to identify symptom clusters. To investigate the consistency of symptom cluster composition in advanced cancer patients using different statistical methodologies for all patients across five primary cancer sites, and to examine which clusters predict functional status, a global assessment of health and global quality of life. Principal component analysis and exploratory factor analysis (with different rotation and factor selection methods) and hierarchical cluster analysis (with different linkage and similarity measures) were used on a data set of 1562 advanced cancer patients who completed the European Organization for the Research and Treatment of Cancer Quality of Life Questionnaire-Core 30. Four clusters consistently formed for many of the methods and cancer sites: tense-worry-irritable-depressed (emotional cluster), fatigue-pain, nausea-vomiting, and concentration-memory (cognitive cluster). The emotional cluster was a stronger predictor of overall quality of life than the other clusters. Fatigue-pain was a stronger predictor of overall health than the other clusters. The cognitive cluster and fatigue-pain predicted physical functioning, role functioning, and social functioning. The four identified symptom clusters were consistent across statistical methods and cancer types, although there were some noteworthy differences. Statistical derivation of symptom clusters is in need of greater methodological guidance. A psychosocial pathway in the management of symptom clusters may improve quality of life. Biological mechanisms underpinning symptom clusters need to be delineated by future research. A framework for evidence-based screening, assessment, treatment, and follow-up of symptom clusters in advanced cancer is essential. Copyright © 2016 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.

Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory

DTIC Science & Technology

2017-05-05

dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in previous studies...are characterized by many different geometries, which potentially can be optimized with respect to specific materials design criteria, i.e., molecular...SixOy molecular clusters using density functional theory (DFT). The size of the clusters considered, however, is relatively large compared to those

Cluster molecular orbital description of the electronic structures of mixed-valence iron oxides and silicates

USGS Publications Warehouse

Sherman, David M.

1986-01-01

A molecular orbital description, based on spin-unrestricted X??-scattered wave calculations, is given for the electronic structures of mixed valence iron oxides and silicates. The cluster calculations show that electron hopping and optical intervalence charge-transger result from weak FeFe bonding across shared edges of FeO6 coordination polyhedra. In agreement with Zener's double exchange model, FeFe bonding is found to stabilize ferromagnetic coupling between Fe2+ and Fe3+ cations. ?? 1986.

Irregular wave functions of a hydrogen atom in a uniform magnetic field

NASA Technical Reports Server (NTRS)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Predicting spiral wave patterns from cell properties in a model of biological self-organization.

PubMed

Geberth, Daniel; Hütt, Marc-Thorsten

2008-09-01

In many biological systems, biological variability (i.e., systematic differences between the system components) can be expected to outrank statistical fluctuations in the shaping of self-organized patterns. In principle, the distribution of single-element properties should thus allow predicting features of such patterns. For a mathematical model of a paradigmatic and well-studied pattern formation process, spiral waves of cAMP signaling in colonies of the slime mold Dictyostelium discoideum, we explore this possibility and observe a pronounced anticorrelation between spiral waves and cell properties (namely, the firing rate) and particularly a clustering of spiral wave tips in regions devoid of spontaneously firing (pacemaker) cells. Furthermore, we observe local inhomogeneities in the distribution of spiral chiralities, again induced by the pacemaker distribution. We show that these findings can be explained by a simple geometrical model of spiral wave generation.

Unconventional pairing symmetry of interacting Dirac fermions on a π -flux lattice

NASA Astrophysics Data System (ADS)

Guo, Huaiming; Khatami, Ehsan; Wang, Yao; Devereaux, Thomas P.; Singh, Rajiv R. P.; Scalettar, Richard T.

2018-04-01

The pairing symmetry of interacting Dirac fermions on the π -flux lattice is studied with the determinant quantum Monte Carlo and numerical linked-cluster expansion methods. The s*- (i.e., extended s -) and d -wave pairing symmetries, which are distinct in the conventional square lattice, are degenerate under the Landau gauge. We demonstrate that the dominant pairing channel at strong interactions is an unconventional d s* -wave phase consisting of alternating stripes of s*- and d -wave phases. A complementary mean-field analysis shows that while the s*- and d -wave symmetries individually have nodes in the energy spectrum, the d s* channel is fully gapped. The results represent a new realization of pairing in Dirac systems, connected to the problem of chiral d -wave pairing on the honeycomb lattice, which might be more readily accessed by cold-atom experiments.

Unconventional pairing symmetry of interacting Dirac fermions on a π -flux lattice

DOE PAGES

Guo, Huaiming; Khatami, Ehsan; Wang, Yao; ...

2018-04-20

The pairing symmetry of interacting Dirac fermions on the π-flux lattice is studied with the determinant quantum Monte Carlo and numerical linked-cluster expansion methods. The s*- (i.e., extended s-) and d-wave pairing symmetries, which are distinct in the conventional square lattice, are degenerate under the Landau gauge. We demonstrate that the dominant pairing channel at strong interactions is an unconventional ds*-wave phase consisting of alternating stripes of s*- and d-wave phases. A complementary mean-field analysis shows that while the s*- and d-wave symmetries individually have nodes in the energy spectrum, the ds* channel is fully gapped. The results represent amore » new realization of pairing in Dirac systems, connected to the problem of chiral d-wave pairing on the honeycomb lattice, which might be more readily accessed by cold-atom experiments.« less

Predicting spiral wave patterns from cell properties in a model of biological self-organization

NASA Astrophysics Data System (ADS)

Geberth, Daniel; Hütt, Marc-Thorsten

2008-09-01

In many biological systems, biological variability (i.e., systematic differences between the system components) can be expected to outrank statistical fluctuations in the shaping of self-organized patterns. In principle, the distribution of single-element properties should thus allow predicting features of such patterns. For a mathematical model of a paradigmatic and well-studied pattern formation process, spiral waves of cAMP signaling in colonies of the slime mold Dictyostelium discoideum, we explore this possibility and observe a pronounced anticorrelation between spiral waves and cell properties (namely, the firing rate) and particularly a clustering of spiral wave tips in regions devoid of spontaneously firing (pacemaker) cells. Furthermore, we observe local inhomogeneities in the distribution of spiral chiralities, again induced by the pacemaker distribution. We show that these findings can be explained by a simple geometrical model of spiral wave generation.

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules.

PubMed

Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2016-08-18

Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.

Finer parcellation reveals detailed correlational structure of resting-state fMRI signals.

PubMed

Dornas, João V; Braun, Jochen

2018-01-15

Even in resting state, the human brain generates functional signals (fMRI) with complex correlational structure. To simplify this structure, it is common to parcellate a standard brain into coarse chunks. Finer parcellations are considered less reproducible and informative, due to anatomical and functional variability of individual brains. Grouping signals with similar local correlation profiles, restricted to each anatomical region (Tzourio-Mazoyer et al., 2002), we divide a standard brain into 758 'functional clusters' averaging 1.7cm 3 gray matter volume ('MD758' parcellation). We compare 758 'spatial clusters' of similar size ('S758'). 'Functional clusters' are spatially contiguous and cluster quality (integration and segregation of temporal variance) is far superior to 'spatial clusters', comparable to multi-modal parcellations of half the resolution (Craddock et al., 2012; Glasser et al., 2016). Moreover, 'functional clusters' capture many long-range functional correlations, with O(10 5 ) reproducibly correlated cluster pairs in different anatomical regions. The pattern of functional correlations closely mirrors long-range anatomical connectivity established by fibre tracking. MD758 is comparable to coarser parcellations (Craddock et al., 2012; Glasser et al., 2016) in terms of cluster quality, correlational structure (54% relative mutual entropy vs 60% and 61%), and sparseness (35% significant pairwise correlations vs 36% and 44%). We describe and evaluate a simple path to finer functional parcellations of the human brain. Detailed correlational structure is surprisingly consistent between individuals, opening new possibilities for comparing functional correlations between cognitive conditions, states of health, or pharmacological interventions. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Defective functional connectivity between posterior hypothalamus and regions of the diencephalic-mesencephalic junction in chronic cluster headache.

PubMed

Ferraro, Stefania; Nigri, Anna; Bruzzone, Maria Grazia; Brivio, Luca; Proietti Cecchini, Alberto; Verri, Mattia; Chiapparini, Luisa; Leone, Massimo

2018-01-01

Objective We tested the hypothesis of a defective functional connectivity between the posterior hypothalamus and diencephalic-mesencephalic regions in chronic cluster headache based on: a) clinical and neuro-endocrinological findings in cluster headache patients; b) neuroimaging findings during cluster headache attacks; c) neuroimaging findings in drug-refractory chronic cluster headache patients improved after successful deep brain stimulation. Methods Resting state functional magnetic resonance imaging, associated with a seed-based approach, was employed to investigate the functional connectivity of the posterior hypothalamus in chronic cluster headache patients (n = 17) compared to age and sex-matched healthy subjects (n = 16). Random-effect analyses were performed to study differences between patients and controls in ipsilateral and contralateral-to-the-pain posterior hypothalamus functional connectivity. Results Cluster headache patients showed an increased functional connectivity between the ipsilateral posterior hypothalamus and a number of diencephalic-mesencephalic structures, comprising ventral tegmental area, dorsal nuclei of raphe, and bilateral substantia nigra, sub-thalamic nucleus, and red nucleus ( p < 0.005 FDR-corrected vs . control group). No difference between patients and controls was found comparing the contralateral hypothalami. Conclusions The observed deranged functional connectivity between the posterior ipsilateral hypothalamus and diencephalic-mesencephalic regions in chronic cluster headache patients mainly involves structures that are part of (i.e. ventral tegmental area, substantia nigra) or modulate (dorsal nuclei of raphe, sub-thalamic nucleus) the midbrain dopaminergic systems. The midbrain dopaminergic systems could play a role in cluster headache pathophysiology and in particular in the chronicization process. Future studies are needed to better clarify if this finding is specific to cluster headache or if it represents an unspecific response to chronic pain.

A correlation analysis-based detection and delineation of ECG characteristic events using template waveforms extracted by ensemble averaging of clustered heart cycles.

PubMed

Homaeinezhad, M R; Erfanianmoshiri-Nejad, M; Naseri, H

2014-01-01

The goal of this study is to introduce a simple, standard and safe procedure to detect and to delineate P and T waves of the electrocardiogram (ECG) signal in real conditions. The proposed method consists of four major steps: (1) a secure QRS detection and delineation algorithm, (2) a pattern recognition algorithm designed for distinguishing various ECG clusters which take place between consecutive R-waves, (3) extracting template of the dominant events of each cluster waveform and (4) application of the correlation analysis in order to delineate automatically the P- and T-waves in noisy conditions. The performance characteristics of the proposed P and T detection-delineation algorithm are evaluated versus various ECG signals whose qualities are altered from the best to the worst cases based on the random-walk noise theory. Also, the method is applied to the MIT-BIH Arrhythmia and the QT databases for comparing some parts of its performance characteristics with a number of P and T detection-delineation algorithms. The conducted evaluations indicate that in a signal with low quality value of about 0.6, the proposed method detects the P and T events with sensitivity Se=85% and positive predictive value of P+=89%, respectively. In addition, at the same quality, the average delineation errors associated with those ECG events are 45 and 63ms, respectively. Stable delineation error, high detection accuracy and high noise tolerance were the most important aspects considered during development of the proposed method. © 2013 Elsevier Ltd. All rights reserved.

Evans function computation for the stability of travelling waves

NASA Astrophysics Data System (ADS)

Barker, B.; Humpherys, J.; Lyng, G.; Lytle, J.

2018-04-01

In recent years, the Evans function has become an important tool for the determination of stability of travelling waves. This function, a Wronskian of decaying solutions of the eigenvalue equation, is useful both analytically and computationally for the spectral analysis of the linearized operator about the wave. In particular, Evans-function computation allows one to locate any unstable eigenvalues of the linear operator (if they exist); this allows one to establish spectral stability of a given wave and identify bifurcation points (loss of stability) as model parameters vary. In this paper, we review computational aspects of the Evans function and apply it to multidimensional detonation waves. This article is part of the theme issue `Stability of nonlinear waves and patterns and related topics'.

Age distribution patterns of human gene families: divergent for Gene Ontology categories and concordant between different subcellular localizations.

PubMed

Liu, Gangbiao; Zou, Yangyun; Cheng, Qiqun; Zeng, Yanwu; Gu, Xun; Su, Zhixi

2014-04-01

The age distribution of gene duplication events within the human genome exhibits two waves of duplications along with an ancient component. However, because of functional constraint differences, genes in different functional categories might show dissimilar retention patterns after duplication. It is known that genes in some functional categories are highly duplicated in the early stage of vertebrate evolution. However, the correlations of the age distribution pattern of gene duplication between the different functional categories are still unknown. To investigate this issue, we developed a robust pipeline to date the gene duplication events in the human genome. We successfully estimated about three-quarters of the duplication events within the human genome, along with the age distribution pattern in each Gene Ontology (GO) slim category. We found that some GO slim categories show different distribution patterns when compared to the whole genome. Further hierarchical clustering of the GO slim functional categories enabled grouping into two main clusters. We found that human genes located in the duplicated copy number variant regions, whose duplicate genes have not been fixed in the human population, were mainly enriched in the groups with a high proportion of recently duplicated genes. Moreover, we used a phylogenetic tree-based method to date the age of duplications in three signaling-related gene superfamilies: transcription factors, protein kinases and G-protein coupled receptors. These superfamilies were expressed in different subcellular localizations. They showed a similar age distribution as the signaling-related GO slim categories. We also compared the differences between the age distributions of gene duplications in multiple subcellular localizations. We found that the distribution patterns of the major subcellular localizations were similar to that of the whole genome. This study revealed the whole picture of the evolution patterns of gene functional categories in the human genome.

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

Goudfrooij, Paul, E-mail: goudfroo@stsci.edu

We study mass functions of globular clusters derived from Hubble Space Telescope/Advanced Camera for Surveys images of the early-type merger remnant galaxy NGC 1316, which hosts a significant population of metal-rich globular clusters of intermediate age ({approx}3 Gyr). For the old, metal-poor ({sup b}lue{sup )} clusters, the peak mass of the mass function M{sub p} increases with internal half-mass density {rho}{sub h} as M{sub p}{proportional_to}{rho}{sub h}{sup 0.44}, whereas it stays approximately constant with galactocentric distance R{sub gal}. The mass functions of these clusters are consistent with a simple scenario in which they formed with a Schechter initial mass function andmore » evolved subsequently by internal two-body relaxation. For the intermediate-age population of metal-rich ({sup r}ed{sup )} clusters, the faint end of the previously reported power-law luminosity function of the clusters with R{sub gal} > 9 kpc is due to many of those clusters having radii larger than the theoretical maximum value imposed by the tidal field of NGC 1316 at their R{sub gal}. This renders disruption by two-body relaxation ineffective. Only a few such diffuse clusters are found in the inner regions of NGC 1316. Completeness tests indicate that this is a physical effect. Using comparisons with star clusters in other galaxies and cluster disruption calculations using published models, we hypothesize that most red clusters in the low-{rho}{sub h} tail of the initial distribution have already been destroyed in the inner regions of NGC 1316 by tidal shocking, and that several remaining low-{rho}{sub h} clusters will evolve dynamically to become similar to 'faint fuzzies' that exist in several lenticular galaxies. Finally, we discuss the nature of diffuse red clusters in early-type galaxies.« less

Cluster Masses Derived from X-ray and Sunyaev-Zeldovich Effect Measurements

NASA Technical Reports Server (NTRS)

Laroque, S.; Joy, Marshall; Bonamente, M.; Carlstrom, J.; Dawson, K.

2003-01-01

We infer the gas mass and total gravitational mass of 11 clusters using two different methods; analysis of X-ray data from the Chandra X-ray Observatory and analysis of centimeter-wave Sunyaev-Zel'dovich Effect (SZE) data from the BIMA and OVRO interferometers. This flux-limited sample of clusters from the BCS cluster catalogue was chosen so as to be well above the surface brightness limit of the ROSAT All Sky Survey; this is therefore an orientation unbiased sample. The gas mass fraction, f_g, is calculated for each cluster using both X-ray and SZE data, and the results are compared at a fiducial radius of r_500. Comparison of the X-ray and SZE results for this orientation unbiased sample allows us to constrain cluster systematics, such as clumping of the intracluster medium. We derive an upper limit on Omega_M assuming that the mass composition of clusters within r_500 reflects the universal mass composition Omega_M h_100 is greater than Omega _B / f-g. We also demonstrate how the mean f_g derived from the sample can be used to estimate the masses of clusters discovered by upcoming deep SZE surveys.

PREFACE: Magnonics Magnonics

NASA Astrophysics Data System (ADS)

Kruglyak, V. V.; Demokritov, S. O.; Grundler, D.

2010-07-01

The study of collective spin excitations in magnetically ordered materials (so-called spin waves and the associated quasi-particles—magnons) has a successful history of more than 60 years. Recently, it has re-emerged in a new aspect under the name of magnonics, although the exact definition of its scope is still a subject for debate. However, it is widely accepted that the recent renaissance of interest in spin waves has been driven by three major factors: the rapid advance of nanotechnology, the development of new experimental techniques for studying high-frequency magnetization dynamics and the promise of a new generation of functional magnetic field controlled devices in which spin waves (magnons) would be employed, in particular to carry and process information. Furthermore, the growing interest in man-made 'crystals', such as those already realized in photonics, electronics and plasmonics, has served as a further strong catalyst for the development of so-called magnonic crystals. Magnonics as a research field is currently gaining momentum, attracting more and more researchers from various sub-fields of magnetism, materials science, microwave engineering, and beyond. Hence, it is timely to define the state of the art of this exciting research field emerging at the interface between magnetism and nanoscience. The first magnonics conference, entitled 'Magnonics: From Fundamentals to Applications' was held in Dresden in August 2009, sponsored by the visitor programme of the Max Planck Institute for the Physics of Complex Systems (MPIPKS). The event was a great success, having achieved its main aim of forming a community of magnonics researchers. It brought together both experts who held worldwide leading positions in nanomagnetism and spin wave research, and younger researchers just entering the field. The research results presented ranged from fundamental magnonic properties to their application in information technologies. The main scientific result of the conference in the broader sense was the emergence of magnonics as a sister field in the family of functional nanomaterials that also includes electronics, photonics, phononics, plasmonics etc. The presentations helped to define the state of the art and to highlight perspectives of the field. The conference led to the idea of publishing this cluster of papers aimed at reviewing the history of and the recent progress in magnonics. The cluster begins with a contribution from Kruglyak et al who aim to define the general scope and concepts of magnonics as a research field [1]. Serga et al review the state of the art in studies of spin waves in yttrium iron garnet (YIG) samples, which—due to the exceptionally low magnetic losses—have been the most popular and extensively investigated so far [2]. Gubbiotti et al review their recent experiments in which the magnonic band gap spectrum was observed in planar metallic magnonic crystals with submicrometre periods [3]. Kim demonstrates how numerical simulations can be used to investigate a wide range of magnonic phenomena in truly magnetic nanostructures, which still remains a challenge for modern experiments [4]. Finally, Khitun et al discuss the prospects and challenges for the creation of magnonic logic devices [5]. As with any dynamic research field, the reviews are inevitably incomplete. Nonetheless, we hope that the cluster of papers will stimulate further progress in magnonics and will provide a useful starting point for researchers newly entering this challenging and exciting research field. References [1] Kruglyak V V, Demokritov S O and Grundler J 2010 J. Phys. D: Appl. Phys.43 264001 [2] Serga A A, Chumak A V and Hillebrands B 2010 J. Phys. D: Appl. Phys. 43 264002 [3] Gubbiotti G, Tacchi S, Madami M, Carlotti G, Adeyeye A O and Kostylev M 2010 J. Phys. D: Appl. Phys. 43 264003 [4] Kim S-K 2010 J. Phys. D: Appl. Phys. 43 264004 [5] Khitun A, Bao M and Wang K L 2010 J. Phys. D: Appl. Phys. 43 264005

Counterstreaming beams and flat-top electron distributions observed with Langmuir, Whistler, and compressional Alfvén waves in earth's magnetic tail.

PubMed

Teste, Alexandra; Parks, George K

2009-02-20

Relevant new clues to wave-particle interactions have been obtained in Earth's plasma sheet (PS). The plasma measurements made on Cluster spacecraft show that broadband (approximately 2-6 kHz) electrostatic emissions, in the PS boundary layer, are associated with cold counterstreaming electrons flowing at 5-12x10(3) km s(-1) through hot Maxwellian plasma. In the current sheet (CS), electromagnetic whistler mode waves (approximately 10-80 Hz) and compressional Alfvén waves (<2 Hz) are detected with flat-topped electron distributions whose cutoff speeds are approximately 15-17x10(3) km s(-1). These waves are damped in the central CS where |B|

The Dynamic Quasiperpendicular Shock: Cluster Discoveries

NASA Astrophysics Data System (ADS)

Krasnoselskikh, V.; Balikhin, M.; Walker, S. N.; Schwartz, S.; Sundkvist, D.; Lobzin, V.; Gedalin, M.; Bale, S. D.; Mozer, F.; Soucek, J.; Hobara, Y.; Comisel, H.

The physics of collisionless shocks is a very broad topic which has been studied for more than five decades. However, there are a number of important issues which remain unresolved. The energy repartition amongst particle populations in quasiperpendicular shocks is a multi-scale process related to the spatial and temporal structure of the electromagnetic fields within the shock layer. The most important processes take place in the close vicinity of the major magnetic transition or ramp region. The distribution of electromagnetic fields in this region determines the characteristics of ion reflection and thus defines the conditions for ion heating and energy dissipation for supercritical shocks and also the region where an important part of electron heating takes place. In other words, the ramp region determines the main characteristics of energy repartition. All these processes are crucially dependent upon the characteristic spatial scales of the ramp and foot region provided that the shock is stationary. The process of shock formation consists of the steepening of a large amplitude nonlinear wave. At some point in its evolution the steepening is arrested by processes occurring within the shock transition. From the earliest studies of collisionless shocks these processes were identified as nonlinearity, dissipation, and dispersion. Their relative role determines the scales of electric and magnetic fields, and so control the characteristics of processes such as ion reflection, electron heating and particle acceleration. The determination of the scales of the electric and magnetic field is one of the key issues in the physics of collisionless shocks. Moreover, it is well known that under certain conditions shocks manifest a nonstationary dynamic behaviour called reformation. It was suggested that the transition from stationary to nonstationary quasiperiodic dynamics is related to gradients, e.g. scales of the ramp region and its associated whistler waves that form a precursor wave train. This implies that the ramp region should be considered as the source of these waves. All these questions have been studied making use observations from the Cluster satellites. The Cluster project continues to provide a unique viewpoint from which to study the scales of shocks. During its lifetime the inter-satellite distance between the Cluster satellites has varied from 100 km to 10000 km allowing scientists to use the data best adapted for the given scientific objective.

Luminosity Function of Faint Globular Clusters in M87

NASA Astrophysics Data System (ADS)

Waters, Christopher Z.; Zepf, Stephen E.; Lauer, Tod R.; Baltz, Edward A.; Silk, Joseph

2006-10-01

We present the luminosity function to very faint magnitudes for the globular clusters in M87, based on a 30 orbit Hubble Space Telescope (HST) WFPC2 imaging program. The very deep images and corresponding improved false source rejection allow us to probe the mass function further beyond the turnover than has been done before. We compare our luminosity function to those that have been observed in the past, and confirm the similarity of the turnover luminosity between M87 and the Milky Way. We also find with high statistical significance that the M87 luminosity function is broader than that of the Milky Way. We discuss how determining the mass function of the cluster system to low masses can constrain theoretical models of the dynamical evolution of globular cluster systems. Our mass function is consistent with the dependence of mass loss on the initial cluster mass given by classical evaporation, and somewhat inconsistent with newer proposals that have a shallower mass dependence. In addition, the rate of mass loss is consistent with standard evaporation models, and not with the much higher rates proposed by some recent studies of very young cluster systems. We also find that the mass-size relation has very little slope, indicating that there is almost no increase in the size of a cluster with increasing mass.

Nonlinear dust-lattice waves: a modified Toda lattice

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

Cramer, N. F.

Charged dust grains in a plasma interact with a Coulomb potential, but also with an exponential component to the potential, due to Debye shielding in the background plasma. Here we investigate large-amplitude oscillations and waves in dust-lattices, employing techniques used in Toda lattice analysis. The lattice consists of a linear chain of particles, or a periodic ring as occurs in experimentally observed dust particle clusters. The particle motion has a triangular waveform, and chaotic motion for large amplitude motion of a grain.

Longitudinal wave function control in single quantum dots with an applied magnetic field

PubMed Central

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-01

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

Longitudinal wave function control in single quantum dots with an applied magnetic field.

PubMed

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-27

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.