WorldWideScience

Sample records for anisotropic dynamic clustering

  1. Metafluid with anisotropic dynamic mass

    International Nuclear Information System (INIS)

    Gumen, L.N.; Arriaga, J.; Krokhin, A.A.

    2011-01-01

    We show that a fluid filling the space between metallic cylinders arranged in a two-dimensional lattice exhibits anisotropic dynamic mass for sound waves propagating through the lattice, if its unit cell is anisotropic. Using the plane-waves expansion method we derive (in the long wavelength limit) a formula for the effective mass tensor of the metafluid. The proposed formula is very general - it is valid for arbitrary Bravais lattices and arbitrary filling fractions of the cylinders. We apply our method to a periodic structure with very high anisotropy, when other known methods fail. In particular, we calculate the effective mass tensor for sound waves in air with embedded lattice of aluminum cylinders having rectangular cross sections, and obtain excellent agreement with experiment. The proposed method of calculation may find numerous applications for tailoring of metafluids with prescribed anisotropy.

  2. Dynamic of Faceted Colloidal Clusters

    Science.gov (United States)

    Sindoro, Melinda; Jee, Ah-Young; Yu, Changqian; Granick, Steve

    2014-03-01

    We study the emulsion induced clustering of faceted metal organic frameworks (MOFs) and their dynamics. Our approach to anisotropic building block is through the rational synthesis of water stable and highly uniform MOFs. This generates colloidal-sized MOFs of defined polyhedral shape with tunable size in micrometer range that are suitable for in situ imaging. The 3D clusters formations are promoted by hydrophilic MOFs particles confined in aqueous droplets of binary water-lutidine mixture at transition temperature. Below this temperature, the water droplet decreases in volume due to one phase mixing with lutidine which forces the N-mers of faceted particles to aggregate in close contact. We compare the faceted clusters formed to those made of spherical particles in term of the building block sphericity. Other focus of our study involves the dynamic of the clusters. We found that, unlike spherical clusters, these faceted N-mers are highly stable on large scale of temperature due to their dominant capillary force on their facet-to-facet contact.

  3. Anisotropic dynamic mass density for fluidsolid composites

    KAUST Repository

    Wu, Ying

    2012-10-01

    By taking the low frequency limit of multiple-scattering theory, we obtain the dynamic effective mass density of fluidsolid composites with a two-dimensional rectangular lattice structure. The anisotropic mass density can be described by an angle-dependent dipole solution, to the leading-order of solid concentration. The angular dependence vanishes for the square lattice, but at high solid concentrations there is a structure-dependent factor that contributes to the leading-order solution. In all cases, Woods formula is found to be accurately valid for the effective bulk modulus, independent of the structures. Numerical evaluations from the solutions are shown to be in excellent agreement with finite-element simulations. © 2012 Elsevier B.V.

  4. Introduction to cluster dynamics

    CERN Document Server

    Reinhard, Paul-Gerhard

    2008-01-01

    Clusters as mesoscopic particles represent an intermediate state of matter between single atoms and solid material. The tendency to miniaturise technical objects requires knowledge about systems which contain a ""small"" number of atoms or molecules only. This is all the more true for dynamical aspects, particularly in relation to the qick development of laser technology and femtosecond spectroscopy. Here, for the first time is a highly qualitative introduction to cluster physics. With its emphasis on cluster dynamics, this will be vital to everyone involved in this interdisciplinary subje

  5. Dynamics of anisotropic particles under waves

    Science.gov (United States)

    Dibenedetto, Michelle; Ouellette, Nicholas; Koseff, Jeffrey

    2017-11-01

    We present results on anisotropic particles in wavy flows in order to gain insight into the transport and mixing of microplastic particles in the near-shore environment. From theory and numerical simulations, we find that the rate of alignment of the particles is not constant and depends strongly on their initial orientation; thus, variations in initial particle orientation result in dispersion of anisotropic-particle plumes. We find that this dispersion is a function of the particle's eccentricity and the ratio of the settling and wave time scales. Experiments in which non-spherical particles of various shapes are released under surface gravity waves were also performed. Our main goal is to explore the effects of particle shape under various wave scenarios. We vary the aspect ratio of the particle in our experiments while holding other variables constant. Our results demonstrate that particle shape can be important when predicting transport.

  6. Anisotropic Born-Mayer potential in lattice dynamics of Vanadium

    International Nuclear Information System (INIS)

    Onwuagba, B.N.

    1988-01-01

    A microscopic theory of the lattice dynamics of the transition metal vanadium is developed based on the Animalu's transition metal model potential (TMMP). The Born-Mayer potential associated with the distribution of the transition metal d-electrons is treated as anisotropic. Good agreement with experimental phonon dispersion curves longitudinal branches in the [111] direction

  7. Dynamical anisotropic response of black phosphorus under magnetic field

    Science.gov (United States)

    Liu, Xuefeng; Lu, Wei; Zhou, Xiaoying; Zhou, Yang; Zhang, Chenglong; Lai, Jiawei; Ge, Shaofeng; Sekhar, M. Chandra; Jia, Shuang; Chang, Kai; Sun, Dong

    2018-04-01

    Black phosphorus (BP) has emerged as a promising material candidate for next generation electronic and optoelectronic devices due to its high mobility, tunable band gap and highly anisotropic properties. In this work, polarization resolved ultrafast mid-infrared transient reflection spectroscopy measurements are performed to study the dynamical anisotropic optical properties of BP under magnetic fields up to 9 T. The relaxation dynamics of photoexcited carrier is found to be insensitive to the applied magnetic field due to the broadening of the Landau levels and large effective mass of carriers. While the anisotropic optical response of BP decreases with increasing magnetic field, its enhancement due to the excitation of hot carriers is similar to that without magnetic field. These experimental results can be well interpreted by the magneto-optical conductivity of the Landau levels of BP thin film, based on an effective k · p Hamiltonian and linear response theory. These findings suggest attractive possibilities of multi-dimensional control of anisotropic response (AR) of BP with light, electric and magnetic field, which further introduces BP to the fantastic magnetic field sensitive applications.

  8. Statistical ensembles and molecular dynamics studies of anisotropic solids. II

    International Nuclear Information System (INIS)

    Ray, J.R.; Rahman, A.

    1985-01-01

    We have recently discussed how the Parrinello--Rahman theory can be brought into accord with the theory of the elastic and thermodynamic behavior of anisotropic media. This involves the isoenthalpic--isotension ensemble of statistical mechanics. Nose has developed a canonical ensemble form of molecular dynamics. We combine Nose's ideas with the Parrinello--Rahman theory to obtain a canonical form of molecular dynamics appropriate to the study of anisotropic media subjected to arbitrary external stress. We employ this isothermal--isotension ensemble in a study of a fcc→ close-packed structural phase transformation in a Lennard-Jones solid subjected to uniaxial compression. Our interpretation of the Nose theory does not involve a scaling of the time variable. This latter fact leads to simplifications when studying the time dependence of quantities

  9. Complex emergent dynamics of anisotropic swarms: Convergence vs oscillation

    International Nuclear Information System (INIS)

    Chu Tianguang; Wang Long; Chen Tongwen; Mu Shumei

    2006-01-01

    This paper considers an anisotropic swarm model with a simple attraction and repulsion function. It is shown that the members of a reciprocal swarm will aggregate and eventually form a cohesive cluster of finite size around the swarm center. Moreover, the swarm system is also completely stable, i.e., every solution converges to the set of equilibrium points of the system. These results are also valid for a class of non-reciprocal swarms under the detailed balance condition on coupling weights. For general non-reciprocal swarms, numerical simulations are worked out to demonstrate more complex oscillatory motions in the systems. The study provides further insight into the effect of the interaction pattern on the collective behavior of a swarm system

  10. Acoustic source localization in anisotropic plates with "Z" shaped sensor clusters.

    Science.gov (United States)

    Yin, Shenxin; Cui, Zhiwen; Kundu, Tribikram

    2018-03-01

    A new sensor cluster orientation is proposed to localize an acoustic source in a plate from the time difference of arrival (TDOA) with the help of only four to eight sensors. This technique requires neither a priori knowledge of the plate material properties nor a dense array of sensors to localize the acoustic source in isotropic as well as anisotropic plates. It is achieved by placing four sensors in a cluster in the shape of letter "Z" over a small region of the plate and a second Z-shaped cluster at another location of the plate. Experimental results show that it is possible to accurately localize the acoustic source with this new configuration. It reduces the number of sensors required for acoustic source localization in an anisotropic plate. Although one cluster in principle is capable of localizing the acoustic source in absence of any experimental error for accurate source localization in presence of experimental error two such Z-shaped clusters are needed. In the currently available technique three L-shaped clusters having a total of 9 sensors are needed to achieve the same level of confidence in the acoustic source localization. Thus, the proposed new technique reduces the number of sensors by 1 (from 9 to 8) for confidently and accurately predicting the acoustic source. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Epistemic communities and cluster dynamics

    DEFF Research Database (Denmark)

    Håkanson, Lars

    2003-01-01

    This paper questions the prevailing notions that firms within industrial clusters have privi-leged access to `tacit knowledge' that is unavailable - or available only at high cost - to firms located elsewhere, and that such access provides competitive advantages that help to explain the growth...... and development of both firms and regions. It outlines a model of cluster dynam-ics emphasizing two mutually interdependent processes: the concentration of specialized and complementary epistemic communities, on the one hand, and entrepreneurship and a high rate of new firm formation on the other....

  12. Aeroelastic modal dynamics of wind turbines including anisotropic effects

    Energy Technology Data Exchange (ETDEWEB)

    Fisker Skjoldan, P.

    2011-03-15

    Several methods for aeroelastic modal analysis of a rotating wind turbine are developed and used to analyse the modal dynamics of two simplified models and a complex model in isotropic and anisotropic conditions. The Coleman transformation is used to enable extraction of the modal frequencies, damping, and periodic mode shapes of a rotating wind turbine by describing the rotor degrees of freedom in the inertial frame. This approach is valid only for an isotropic system. Anisotropic systems, e.g., with an unbalanced rotor or operating in wind shear, are treated with the general approaches of Floquet analysis or Hill's method which do not provide a unique reference frame for observing the modal frequency, to which any multiple of the rotor speed can be added. This indeterminacy is resolved by requiring that the periodic mode shape be as constant as possible in the inertial frame. The modal frequency is thus identified as the dominant frequency in the response of a pure excitation of the mode observed in the inertial frame. A modal analysis tool based directly on the complex aeroelastic wind turbine code BHawC is presented. It uses the Coleman approach in isotropic conditions and the computationally efficient implicit Floquet analysis in anisotropic conditions. The tool is validated against system identifications with the partial Floquet method on the nonlinear BHawC model of a 2.3 MW wind turbine. System identification results show that nonlinear effects on the 2.3 MW turbine in most cases are small, but indicate that the controller creates nonlinear damping. In isotropic conditions the periodic mode shape contains up to three harmonic components, but in anisotropic conditions it can contain an infinite number of harmonic components with frequencies that are multiples of the rotor speed. These harmonics appear in calculated frequency responses of the turbine. Extreme wind shear changes the modal damping when the flow is separated due to an interaction between

  13. ANISOTROPIC THERMAL CONDUCTION AND THE COOLING FLOW PROBLEM IN GALAXY CLUSTERS

    International Nuclear Information System (INIS)

    Parrish, Ian J.; Sharma, Prateek; Quataert, Eliot

    2009-01-01

    We examine the long-standing cooling flow problem in galaxy clusters with three-dimensional magnetohydrodynamics simulations of isolated clusters including radiative cooling and anisotropic thermal conduction along magnetic field lines. The central regions of the intracluster medium (ICM) can have cooling timescales of ∼200 Myr or shorter-in order to prevent a cooling catastrophe the ICM must be heated by some mechanism such as active galactic nucleus feedback or thermal conduction from the thermal reservoir at large radii. The cores of galaxy clusters are linearly unstable to the heat-flux-driven buoyancy instability (HBI), which significantly changes the thermodynamics of the cluster core. The HBI is a convective, buoyancy-driven instability that rearranges the magnetic field to be preferentially perpendicular to the temperature gradient. For a wide range of parameters, our simulations demonstrate that in the presence of the HBI, the effective radial thermal conductivity is reduced to ∼<10% of the full Spitzer conductivity. With this suppression of conductive heating, the cooling catastrophe occurs on a timescale comparable to the central cooling time of the cluster. Thermal conduction alone is thus unlikely to stabilize clusters with low central entropies and short central cooling timescales. High central entropy clusters have sufficiently long cooling times that conduction can help stave off the cooling catastrophe for cosmologically interesting timescales.

  14. Vortex dynamics in supraconductors in the presence of anisotropic pinning

    International Nuclear Information System (INIS)

    Soroka, O.K.

    2004-01-01

    Vortex dynamics in two different classes of superconductors with anisotropic unidirected pinning sites was experimentally investigated by magnetoresistivity measurements: YBCO-films with unidirected twins and Nb-films deposited on faceted Al 2 O 3 substrate surfaces. For the interpretation of the experimental results a theoretical model based on the Fokker-Planck equation was used. It was proved by X-ray measurements that YBCO films prepared on (001) NdGaO 3 substrates exhibit only one twin orientation in contrast to YBCO films grown on (100) SrTiO 3 substrates. The magnetoresistivity measurements of the YBCO films with unidirected twin boundaries revealed the existence of two new magnetoresistivity components, which is a characteristic feature of a guided vortex motion: an odd longitudinal component with respect to the magnetic field sign reversal and an even transversal component. However, due to the small coherence length in YBCO and the higher density of point-like defects comparing to high-quality YBCO single crystals, the strength of the isotropic point pinning was comparable with the strength of the pinning produced by twins. This smeared out all e ects caused by the pinning anisotropy. The behaviour of the odd longitudinal component was found to be independent of the transport current direction with respect to the twin planes. The magnetoresistivity measurements of faceted Nb films demonstrated the appearance of an odd longitudinal and even transversal component of the magnetoresistivity. The temperature and magnetic field dependences of all relevant magnetoresistivity components were measured. The angles between the average vortex velocity vector and the transport current direction calculated from the experimental data for the different transport current orientations with respect to the facet ridges showed that the vortices moved indeed along the facet ridges. An anomalous Hall effect, i.e. a sign change of the odd transversal magnetoresistivity, has been

  15. A dynamical condition for a relativistic galaxy cluster model

    International Nuclear Information System (INIS)

    Trevese, D.; Vignato, A.

    1976-01-01

    In an attempt to give a coherent interpretation of the secondary maximum in the density distribution of clusters an approximate metric tensor proposed by other authors is used with the purpose of building a relativistic generalization of the isothermal models of galaxy clusters. Although such a generalization gives rise to oscillations in the density distribution, the quantitative agreement with the observational data is unsatisfactory. The analysis of the metric tensor used brings out the points (i) the approximation on which the metric is based is not suitable for describing an actual galaxy and (ii) the dynamical conditions of clusters require inclusion of a cosmological expansion, and of anisotropic distribution function in the phase-space. (Auth.)

  16. An elementary singularity-free Rotational Brownian Dynamics algorithm for anisotropic particles

    NARCIS (Netherlands)

    Ilie, Ioana Mariuca; Briels, Willem J.; den Otter, Wouter K.

    2015-01-01

    Brownian Dynamics is the designated technique to simulate the collective dynamics of colloidal particles suspended in a solution, e.g., the self-assembly of patchy particles. Simulating the rotational dynamics of anisotropic particles by a first-order Langevin equation, however, gives rise to a

  17. The Dynamics of Overlapping Clusters

    DEFF Research Database (Denmark)

    Reckendrees, Alfred

    to a powerful industrial region. The implementation and diffusion of the factory system and the economic impact of adapted and new institutions make the core of this paper. Reciprocal interconnections between firms of different clusters shaped the region and created economic dynamics. Investments transgressed......The economic transition characterizing the process of European industrialization in the 19th century was concentrated on regions rather than on states. In the first half of the 19th century, the region of Aachen (in the west of Prussia) pioneered on the territory of the German states and developed...... the boundaries of single industries and new industries emerged. One important feature of the regional production system was cross-sectional knowledge transfer; a second was institutions supportive to this process....

  18. The Dynamics of Overlapping Clusters

    DEFF Research Database (Denmark)

    Reckendrees, Alfred

    The economic transition characterizing the process of European industrialization in the 19th century was concentrated on regions rather than on states. In the first half of the 19th century, the region of Aachen (in the west of Prussia) pioneered on the territory of the German states and developed...... to a powerful industrial region. The implementation and diffusion of the factory system and the economic impact of adapted and new institutions make the core of this paper. Reciprocal interconnections between firms of different clusters shaped the region and created economic dynamics. Investments transgressed...... the boundaries of single industries and new industries emerged. One important feature of the regional production system was cross-sectional knowledge transfer; a second was institutions supportive to this process....

  19. ANISOTROPIC METAL-ENRICHED OUTFLOWS DRIVEN BY ACTIVE GALACTIC NUCLEI IN CLUSTERS OF GALAXIES

    International Nuclear Information System (INIS)

    Kirkpatrick, C. C.; McNamara, B. R.; Cavagnolo, K. W.

    2011-01-01

    We present an analysis of the spatial distribution of metal-rich gas in 10 galaxy clusters using deep observations from the Chandra X-ray Observatory. The brightest cluster galaxies (BCGs) have experienced recent active galactic nucleus activity in the forms of bright radio emission, cavities, and shock fronts embedded in the hot atmospheres. The heavy elements are distributed anisotropically and are aligned with the large-scale radio and cavity axes. They are apparently being transported from the halo of the BCG into the intracluster medium along large-scale outflows driven by the radio jets. The radial ranges of the metal-enriched outflows are found to scale with jet power as R Fe ∝ P 0.42 jet , with a scatter of only 0.5 dex. The heavy elements are transported beyond the extent of the inner cavities in all clusters, suggesting that this is a long-lasting effect sustained over multiple generations of outbursts. Black holes in BCGs will likely have difficulty ejecting metal-enriched gas beyond 1 Mpc unless their masses substantially exceed 10 9 M sun .

  20. Some dynamical properties of anisotropic collisionless stellar systems

    International Nuclear Information System (INIS)

    Bertin, G.; Pegoraro, F.

    1989-01-01

    The linear stability analysis of collisionless anisotropic spherical stellar systems presents many unresolved issues. Planning to study the stability of a simple and astrophysically interesting equilibrium seuence ∞ for such stellar systems, we describe here some analytical characterizations of the ∞-distribution functions, formulate the linearized equations for stability, and discuss the relevant boundary conditions. (author). 19 refs.; 1 tab

  1. Anisotropic mechanical properties of graphene sheets from molecular dynamics

    International Nuclear Information System (INIS)

    Ni Zhonghua; Bu Hao; Zou Min; Yi Hong; Bi Kedong; Chen Yunfei

    2010-01-01

    Anisotropic mechanical properties are observed for a sheet of graphene along different load directions. The anisotropic mechanical properties are attributed to the hexagonal structure of the unit cells of the graphene. Under the same tensile loads, the edge bonds bear larger load in the longitudinal mode (LM) than in the transverse mode (TM), which causes fracture sooner in LM than in TM. The Young's modulus and the third order elastic modulus for the LM are slightly larger than that for the TM. Simulation also demonstrates that, for both LM and TM, the loading and unloading stress-strain response curves overlap as long as the graphene is unloaded before the fracture point. This confirms that graphene sustains complete elastic and reversible deformation in the elongation process.

  2. Dynamics of anisotropic power-law f( R) cosmology

    Science.gov (United States)

    Shamir, M. F.

    2016-12-01

    Modified theories of gravity have attracted much attention of the researchers in the recent years. In particular, the f( R) theory has been investigated extensively due to important f( R) gravity models in cosmological contexts. This paper is devoted to exploring an anisotropic universe in metric f( R) gravity. A locally rotationally symmetric Bianchi type I cosmological model is considered for this purpose. Exact solutions of modified field equations are obtained for a well-known f( R) gravity model. The energy conditions are also discussed for the model under consideration. The viability of the model is investigated via graphical analysis using the present-day values of cosmological parameters. The model satisfies null energy, weak energy, and dominant energy conditions for a particular range of the anisotropy parameter while the strong energy condition is violated, which shows that the anisotropic universe in f( R) gravity supports the crucial issue of accelerated expansion of the universe.

  3. Aeroelastic modal dynamics of wind turbines including anisotropic effects

    DEFF Research Database (Denmark)

    Skjoldan, Peter Fisker

    and the computationally efficient implicit Floquet analysis in anisotropic conditions. The tool is validated against system identifications with the partial Floquet method on the nonlinear BHawC model of a 2.3 MW wind turbine. System identification results show that nonlinear effects on the 2.3 MW turbine in most cases....... These harmonics appear in calculated frequency responses of the turbine. Extreme wind shear changes the modal damping when the flow is separated due to an interaction between the periodic mode shape and the local aerodynamic damping influenced by a periodic variation in angle of attack....

  4. Exploring the Internal Dynamics of Globular Clusters

    Science.gov (United States)

    Watkins, Laura L.; van der Marel, Roeland; Bellini, Andrea; Luetzgendorf, Nora; HSTPROMO Collaboration

    2018-01-01

    Exploring the Internal Dynamics of Globular ClustersThe formation histories and structural properties of globular clusters are imprinted on their internal dynamics. Energy equipartition results in velocity differences for stars of different mass, and leads to mass segregation, which results in different spatial distributions for stars of different mass. Intermediate-mass black holes significantly increase the velocity dispersions at the centres of clusters. By combining accurate measurements of their internal kinematics with state-of-the-art dynamical models, we can characterise both the velocity dispersion and mass profiles of clusters, tease apart the different effects, and understand how clusters may have formed and evolved.Using proper motions from the Hubble Space Telescope Proper Motion (HSTPROMO) Collaboration for a set of 22 Milky Way globular clusters, and our discrete dynamical modelling techniques designed to work with large, high-quality datasets, we are studying a variety of internal cluster properties. We will present the results of theoretical work on simulated clusters that demonstrates the efficacy of our approach, and preliminary results from application to real clusters.

  5. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qian [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  6. Ordering of anisotropic nanoparticles in diblock copolymer lamellae: Simulations with dissipative particle dynamics and a molecular theory.

    Science.gov (United States)

    Berezkin, Anatoly V; Kudryavtsev, Yaroslav V; Gorkunov, Maxim V; Osipov, Mikhail A

    2017-04-14

    Local distribution and orientation of anisotropic nanoparticles in microphase-separated symmetric diblock copolymers has been simulated using dissipative particle dynamics and analyzed with a molecular theory. It has been demonstrated that nanoparticles are characterized by a non-trivial orientational ordering in the lamellar phase due to their anisotropic interactions with isotropic monomer units. In the simulations, the maximum concentration and degree of ordering are attained for non-selective nanorods near the domain boundary. In this case, the nanorods have a certain tendency to align parallel to the interface in the boundary region and perpendicular to it inside the domains. Similar orientation ordering of nanoparticles located at the lamellar interface is predicted by the molecular theory which takes into account that the nanoparticles interact with monomer units via both isotropic and anisotropic potentials. Computer simulations enable one to study the effects of the nanorod concentration, length, stiffness, and selectivity of their interactions with the copolymer components on the phase stability and orientational order of nanoparticles. If the volume fraction of the nanorods is lower than 0.1, they have no effect on the copolymer transition from the disordered state into a lamellar microstructure. Increasing nanorod concentration or nanorod length results in clustering of the nanorods and eventually leads to a macrophase separation, whereas the copolymer preserves its lamellar morphology. Segregated nanorods of length close to the width of the diblock copolymer domains are stacked side by side into smectic layers that fill the domain space. Thus, spontaneous organization and orientation of nanorods leads to a spatial modulation of anisotropic composite properties which may be important for various applications.

  7. The structure and dynamics of polymer nanocomposites containing anisotropic nanoparticles

    Science.gov (United States)

    Lin, Chia-Chun; Ohno, Kohji; Clarke, Nigel; Winey, Karen; Composto, Russell; Hore, Michael

    2014-03-01

    The tracer diffusion of deuterated polystyrene (dPS; 49-532 kg/mol) is measured in polystyrene (PS: 270 kg/mol) nanocomposites containing PS-grafted (132 kg/mol) anisotropic nanoparticles (NP). The NP's are small aggregates containing iron oxide spheres (5nm). These NP's uniformly disperse in PS up to 100% loading. The structure of the polymer nanocomposites is probed using (ultra)small angle x-ray scattering (USAXS,SAXS). Peaks shift to high Q region with increasing NP loadings, indicating a decrease in spacing between particles. The interparticle distance for the pure NP case is 30nm, consistent with TEM, and a brush thickness of 15nm. The brush profile is also measured using SANS. The reduced tracer diffusion coefficient initially decreases as NP loadings increase and then reaches a minimum (35% reduction) near 0.25 vol% (core) for all dPS. With a further increase in NP loading, diffusion recovers to 90% of the unfilled case. Penetration of the tracer (i.e., wetting) into the brush will affect the effective interparticle distance. Diffusion of dPS (1866 kg/mol) will be examined to determine if the dry brush case influences the recovery at high loading. These experiments demonstrate that polymer brushes grafted to anisotropic nano particles can affect the tracer diffusion pathway and indicate that diffusion models should incorporate the interfacial structure between brush and matrix.

  8. Dynamic transformation of self-assembled structures using anisotropic magnetized hydrogel microparticles

    Science.gov (United States)

    Yoshida, Satoru; Takinoue, Masahiro; Iwase, Eiji; Onoe, Hiroaki

    2016-08-01

    This paper describes a system through which the self-assembly of anisotropic hydrogel microparticles is achieved, which also enables dynamic transformation of the assembled structures. Using a centrifuge-based microfluidic device, anisotropic hydrogel microparticles encapsulating superparamagnetic materials on one side are fabricated, which respond to a magnetic field. We successfully achieve dynamic assembly using these hydrogel microparticles and realize three different self-assembled structures (single and double pearl chain structures, and close-packed structures), which can be transformed to other structures dynamically via tuning of the precessional magnetic field. We believe that the developed system has potential application as an effective platform for a dynamic cell manipulation and cultivation system, in biomimetic autonomous microrobot organization, and that it can facilitate further understanding of the self-organization and complex systems observed in nature.

  9. Modified Newtonian dynamics and the Coma cluster

    International Nuclear Information System (INIS)

    The, L.S.; White, S.D.M.

    1988-01-01

    The consistency of Milgrom's theory of modified Newtonian dynamics is checked against optical and X-ray data for the Coma cluster of galaxies. It is found that viable models for the cluster containing no dark matter can be constructed. They require an extensive gaseous atmosphere through which galaxies move on near-radial orbits. The gas temperature is predicted to have a shallow minimum near the cluster center; this structure may conflict with the best X-ray spectra of the cluster. 18 references

  10. Equilibrium stochastic dynamics of Poisson cluster ensembles

    Directory of Open Access Journals (Sweden)

    L.Bogachev

    2008-06-01

    Full Text Available The distribution μ of a Poisson cluster process in Χ=Rd (with n-point clusters is studied via the projection of an auxiliary Poisson measure in the space of configurations in Χn, with the intensity measure being the convolution of the background intensity (of cluster centres with the probability distribution of a generic cluster. We show that μ is quasi-invariant with respect to the group of compactly supported diffeomorphisms of Χ, and prove an integration by parts formula for μ. The corresponding equilibrium stochastic dynamics is then constructed using the method of Dirichlet forms.

  11. CLUSTER DYNAMICS LARGELY SHAPES PROTOPLANETARY DISK SIZES

    Energy Technology Data Exchange (ETDEWEB)

    Vincke, Kirsten; Pfalzner, Susanne, E-mail: kvincke@mpifr-bonn.mpg.de [Max Planck Institute for Radio Astronomy, Auf dem Hügel 69, D-53121 Bonn (Germany)

    2016-09-01

    To what degree the cluster environment influences the sizes of protoplanetary disks surrounding young stars is still an open question. This is particularly true for the short-lived clusters typical for the solar neighborhood, in which the stellar density and therefore the influence of the cluster environment change considerably over the first 10 Myr. In previous studies, the effect of the gas on the cluster dynamics has often been neglected; this is remedied here. Using the code NBody6++, we study the stellar dynamics in different developmental phases—embedded, expulsion, and expansion—including the gas, and quantify the effect of fly-bys on the disk size. We concentrate on massive clusters (M {sub cl} ≥ 10{sup 3}–6 ∗ 10{sup 4} M {sub Sun}), which are representative for clusters like the Orion Nebula Cluster (ONC) or NGC 6611. We find that not only the stellar density but also the duration of the embedded phase matters. The densest clusters react fastest to the gas expulsion and drop quickly in density, here 98% of relevant encounters happen before gas expulsion. By contrast, disks in sparser clusters are initially less affected, but because these clusters expand more slowly, 13% of disks are truncated after gas expulsion. For ONC-like clusters, we find that disks larger than 500 au are usually affected by the environment, which corresponds to the observation that 200 au-sized disks are common. For NGC 6611-like clusters, disk sizes are cut-down on average to roughly 100 au. A testable hypothesis would be that the disks in the center of NGC 6611 should be on average ≈20 au and therefore considerably smaller than those in the ONC.

  12. An elementary singularity-free Rotational Brownian Dynamics algorithm for anisotropic particles.

    Science.gov (United States)

    Ilie, Ioana M; Briels, Wim J; den Otter, Wouter K

    2015-03-21

    Brownian Dynamics is the designated technique to simulate the collective dynamics of colloidal particles suspended in a solution, e.g., the self-assembly of patchy particles. Simulating the rotational dynamics of anisotropic particles by a first-order Langevin equation, however, gives rise to a number of complications, ranging from singularities when using a set of three rotational coordinates to subtle metric and drift corrections. Here, we derive and numerically validate a quaternion-based Rotational Brownian Dynamics algorithm that handles these complications in a simple and elegant way. The extension to hydrodynamic interactions is also discussed.

  13. Dynamic Cities and Creative Clusters

    OpenAIRE

    Wu, Weiping

    2005-01-01

    The author focuses on how urban policies and the clustering of creative industries has influenced urban outcomes. The set of creative industries include those with output protectable under some form of intellectual property law. More specifically, this sub-sector encompasses software, multimedia, video games, industrial design, fashion, publishing, and research and development. The cities that form the basis for the empirical investigations are those where policy-induced transitions have been...

  14. Cardiac mitochondria exhibit dynamic functional clustering

    Directory of Open Access Journals (Sweden)

    Felix Tobias Kurz

    2014-09-01

    Full Text Available Multi-oscillatory behavior of mitochondrial inner membrane potential ΔΨm in self-organized cardiac mitochondrial networks can be triggered by metabolic or oxidative stress. Spatio-temporal analyses of cardiac mitochondrial networks have shown that mitochondria are heterogeneously organized in synchronously oscillating clusters in which the mean cluster frequency and size are inversely correlated, thus suggesting a modulation of cluster frequency through local inter-mitochondrial coupling. In this study, we propose a method to examine the mitochondrial network's topology through quantification of its dynamic local clustering coefficients. Individual mitochondrial ΔΨm oscillation signals were identified for each cardiac myocyte and cross-correlated with all network mitochondria using previously described methods (Kurz et al., 2010. Time-varying inter-mitochondrial connectivity, defined for mitochondria in the whole network whose signals are at least 90% correlated at any given time point, allowed considering functional local clustering coefficients. It is shown that mitochondrial clustering in isolated cardiac myocytes changes dynamically and is significantly higher than for random mitochondrial networks that are constructed using the Erdös-Rényi model based on the same sets of vertices. The network's time-averaged clustering coefficient for cardiac myocytes was found to be 0.500 ± 0.051 (N=9 versus 0.061 ± 0.020 for random networks, respectively. Our results demonstrate that cardiac mitochondria constitute a network with dynamically connected constituents whose topological organization is prone to clustering. Cluster partitioning in networks of coupled oscillators has been observed in scale-free and chaotic systems and is therefore in good agreement with previous models of cardiac mitochondrial networks (Aon et al., 2008.

  15. Cluster dynamics transcending chemical dynamics toward nuclear fusion.

    Science.gov (United States)

    Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

    2006-07-11

    Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 10(15)-10(20) W.cm(-2)). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C(4+)(D(+))(4))(n) and (D(+)I(22+))(n) at I(M) = 10(18) W.cm(-2), that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D(2))(n), (HT)(n), (CD(4))(n), (DI)(n), (CD(3)I)(n), and (CH(3)I)(n) clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D(2))(n) clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., (12)C(P,gamma)(13)N driven by CE of (CH(3)I)(n) clusters, were explored.

  16. An FDTD algorithm for simulating light propagation in anisotropic dynamic gain media

    KAUST Repository

    Al-Jabr, A. A.

    2014-05-02

    Simulating light propagation in anisotropic dynamic gain media such as semiconductors and solid-state lasers using the finite difference time-domain FDTD technique is a tedious process, as many variables need to be evaluated in the same instant of time. The algorithm has to take care of the laser dynamic gain, rate equations, anisotropy and dispersion. In this paper, to the best of our knowledge, we present the first algorithm that solves this problem. The algorithm is based on separating calculations into independent layers and hence solving each problem in a layer of calculations. The anisotropic gain medium is presented and tested using a one-dimensional set-up. The algorithm is then used for the analysis of a two-dimensional problem.

  17. Dynamics of the Sgr A* cluster

    NARCIS (Netherlands)

    Romanowsky, AJ; Kochanek, CS; Dieters, S; Fuchs, B; Just, A; Spurzem, R; Wielen, R

    2001-01-01

    We model the dynamics of the star cluster around Sgr A* using a spherical potential and an arbitrary two-integral distribution function in order to fully include the uncertainties created by orbital anisotropy. Given spatial and kinematical data for the stars, we find the best-fit parameters of the

  18. Dynamical processes in space: Cluster results

    Directory of Open Access Journals (Sweden)

    C. P. Escoubet

    2013-06-01

    Full Text Available After 12 years of operations, the Cluster mission continues to successfully fulfil its scientific objectives. The main goal of the Cluster mission, comprised of four identical spacecraft, is to study in three dimensions small-scale plasma structures in key plasma regions of the Earth's environment: solar wind and bow shock, magnetopause, polar cusps, magnetotail, plasmasphere and auroral zone. During the course of the mission, the relative distance between the four spacecraft has been varied from 20 km to 36 000 km to study the scientific regions of interest at different scales. Since summer 2005, new multi-scale constellations have been implemented, wherein three spacecraft (C1, C2, C3 are separated by 10 000 km, while the fourth one (C4 is at a variable distance ranging between 20 km and 10 000 km from C3. Recent observations were conducted in the auroral acceleration region with the spacecraft separated by 1000s km. We present highlights of the results obtained during the last 12 years on collisionless shocks, magnetopause waves, magnetotail dynamics, plasmaspheric structures, and the auroral acceleration region. In addition, we highlight Cluster results on understanding the impact of Coronal Mass Ejections (CME on the Earth environment. We will also present Cluster data accessibility through the Cluster Science Data System (CSDS, and the Cluster Active Archive (CAA, which was implemented to provide a permanent and public archive of high resolution Cluster data from all instruments.

  19. Classical Dynamics of Excitations of Bose Condensates in Anisotropic Traps

    Science.gov (United States)

    Graham, Robert

    This lecture discusses some aspects of the dynamics of the collective and single-particle excitations at zero temperature of Bose-Einstein condensates of alkali-vapors in magnetic traps. We shall discuss those aspects which can be understood by taking the short-wavelength or 'eikonal' limit of the excitations. Trapped Bose-Einstein condensates can be excited experimentally either directly via periodic modulations of the trap potential or by scattering light off the condensate. My discussion here will closely follow some theoretical work published in [1-3] that has recently been done in collaboration with Andras Csordas and Peter Szepfalusy at the Research Institute for solid State Physics and Optics in Budapest, Hungary and with Martin Fliesser at the University of Essen, Germany.

  20. Dynamical evolution of the Orion nebula cluster

    Science.gov (United States)

    Scally, Aylwyn; Clarke, Cathie; McCaughrean, Mark J.

    2005-04-01

    Observations of star formation in the Galaxy support the conclusion that most stars - including our own - form in an environment like the Orion nebula cluster (ONC). We construct a range of dynamical models of the ONC, using Aarseth's NBODY6 code, and explore their consequences for the origins of the cluster and its subsequent evolution. We find that the most acceptable fits to the cluster density profile are obtained in models where the cluster is set up in virial equilibrium and where the cluster extends well outside the limits of existing photometric surveys. However, current estimates of the virial ratio suggest the cluster is already unbound. We show that the size and age of the ONC in this case imply either that it became unbound only very recently, or else that it has expanded quasi-statically. In the latter case, its initial central density may have exceeded its current value by 1-2 orders of magnitude. We stress the importance of future proper motion experiments to distinguish between these possibilities.

  1. Dynamics of the globular cluster NGC 362

    Science.gov (United States)

    Fischer, Philippe; Welch, Douglas L.; Mateo, Mario; Cote, Patrick

    1993-01-01

    A combination of V-band CCD images and echelle spectra of member red giants is presently used to examine the internal dynamics of the globular cluster NGC 362. A total of 285 stellar spectra were obtained of 215 stars for radial velocity determinations, and the true cluster binary fraction was determined from simulations to be 0.15 for circular orbits and 0.27 for orbits with an f(e) = e (eccentricity) distribution function. An overabundance of binaries is surmised for NGC 362 on this basis.

  2. Investigation of Melting Dynamics of Hafnium Clusters.

    Science.gov (United States)

    Ng, Wei Chun; Lim, Thong Leng; Yoon, Tiem Leong

    2017-03-27

    Melting dynamics of hafnium clusters are investigated using a novel approach based on the idea of the chemical similarity index. Ground state configurations of small hafnium clusters are first derived using Basin-Hopping and Genetic Algorithm in the parallel tempering mode, employing the COMB potential in the energy calculator. These assumed ground state structures are verified by using the Low Lying Structures (LLS) method. The melting process is carried out either by using the direct heating method or prolonged simulated annealing. The melting point is identified by a caloric curve. However, it is found that the global similarity index is much more superior in locating premelting and total melting points of hafnium clusters.

  3. Dynamics of interface in three-dimensional anisotropic bistable reaction-diffusion system

    International Nuclear Information System (INIS)

    He Zhizhu; Liu, Jing

    2010-01-01

    This paper presents a theoretical investigation of dynamics of interface (wave front) in three-dimensional (3D) reaction-diffusion (RD) system for bistable media with anisotropy constructed by means of anisotropic surface tension. An equation of motion for the wave front is derived to carry out stability analysis of transverse perturbations, which discloses mechanism of pattern formation such as labyrinthine in 3D bistable media. Particularly, the effects of anisotropy on wave propagation are studied. It was found that, sufficiently strong anisotropy can induce dynamical instabilities and lead to breakup of the wave front. With the fast-inhibitor limit, the bistable system can further be described by a variational dynamics so that the boundary integral method is adopted to study the dynamics of wave fronts.

  4. Spatial cluster detection using dynamic programming

    Directory of Open Access Journals (Sweden)

    Sverchkov Yuriy

    2012-03-01

    Full Text Available Abstract Background The task of spatial cluster detection involves finding spatial regions where some property deviates from the norm or the expected value. In a probabilistic setting this task can be expressed as finding a region where some event is significantly more likely than usual. Spatial cluster detection is of interest in fields such as biosurveillance, mining of astronomical data, military surveillance, and analysis of fMRI images. In almost all such applications we are interested both in the question of whether a cluster exists in the data, and if it exists, we are interested in finding the most accurate characterization of the cluster. Methods We present a general dynamic programming algorithm for grid-based spatial cluster detection. The algorithm can be used for both Bayesian maximum a-posteriori (MAP estimation of the most likely spatial distribution of clusters and Bayesian model averaging over a large space of spatial cluster distributions to compute the posterior probability of an unusual spatial clustering. The algorithm is explained and evaluated in the context of a biosurveillance application, specifically the detection and identification of Influenza outbreaks based on emergency department visits. A relatively simple underlying model is constructed for the purpose of evaluating the algorithm, and the algorithm is evaluated using the model and semi-synthetic test data. Results When compared to baseline methods, tests indicate that the new algorithm can improve MAP estimates under certain conditions: the greedy algorithm we compared our method to was found to be more sensitive to smaller outbreaks, while as the size of the outbreaks increases, in terms of area affected and proportion of individuals affected, our method overtakes the greedy algorithm in spatial precision and recall. The new algorithm performs on-par with baseline methods in the task of Bayesian model averaging. Conclusions We conclude that the dynamic

  5. Dynamics of Planetary Systems in Star Clusters

    Science.gov (United States)

    Spurzem, R.; Giersz, M.; Heggie, D. C.; Lin, D. N. C.

    2009-05-01

    At least 10%-15% of nearby Sunlike stars have known Jupiter-mass planets. In contrast, very few planets are found in mature open and globular clusters such as the Hyades and 47 Tuc. We explore here the possibility that this dichotomy is due to the postformation disruption of planetary systems associated with the stellar encounters in long-lived clusters. One supporting piece of evidence for this scenario is the discovery of freely floating low-mass objects in star forming regions. We use two independent numerical approaches, a hybrid Monte Carlo and a direct N-body method, to simulate the impact of the encounters. We show that the results of numerical simulations are in reasonable agreement with analytical determinations in the adiabatic and impulsive limits. They indicate that distant stellar encounters generally do not significantly modify the compact and nearly circular orbits. However, moderately close stellar encounters, which are likely to occur in dense clusters, can excite planets' orbital eccentricity and induce dynamical instability in systems that are closely packed with multiple planets. The disruption of planetary systems occurs primarily through occasional nearly parabolic, nonadiabatic encounters, though eccentricity of the planets evolves through repeated hyperbolic adiabatic encounters that accumulate small-amplitude changes. The detached planets are generally retained by the potential of their host clusters as free floaters in young stellar clusters such as σ Orionis. We compute effective cross sections for the dissolution of planetary systems and show that, for all initial eccentricities, dissolution occurs on timescales that are longer than the dispersion of small stellar associations, but shorter than the age of typical open and globular clusters. Although it is much more difficult to disrupt short-period planets, close encounters can excite modest eccentricity among them, such that subsequent tidal dissipation leads to orbital decay, tidal

  6. Cluster analysis of word frequency dynamics

    Science.gov (United States)

    Maslennikova, Yu S.; Bochkarev, V. V.; Belashova, I. A.

    2015-01-01

    This paper describes the analysis and modelling of word usage frequency time series. During one of previous studies, an assumption was put forward that all word usage frequencies have uniform dynamics approaching the shape of a Gaussian function. This assumption can be checked using the frequency dictionaries of the Google Books Ngram database. This database includes 5.2 million books published between 1500 and 2008. The corpus contains over 500 billion words in American English, British English, French, German, Spanish, Russian, Hebrew, and Chinese. We clustered time series of word usage frequencies using a Kohonen neural network. The similarity between input vectors was estimated using several algorithms. As a result of the neural network training procedure, more than ten different forms of time series were found. They describe the dynamics of word usage frequencies from birth to death of individual words. Different groups of word forms were found to have different dynamics of word usage frequency variations.

  7. Cluster analysis of word frequency dynamics

    International Nuclear Information System (INIS)

    Maslennikova, Yu S; Bochkarev, V V; Belashova, I A

    2015-01-01

    This paper describes the analysis and modelling of word usage frequency time series. During one of previous studies, an assumption was put forward that all word usage frequencies have uniform dynamics approaching the shape of a Gaussian function. This assumption can be checked using the frequency dictionaries of the Google Books Ngram database. This database includes 5.2 million books published between 1500 and 2008. The corpus contains over 500 billion words in American English, British English, French, German, Spanish, Russian, Hebrew, and Chinese. We clustered time series of word usage frequencies using a Kohonen neural network. The similarity between input vectors was estimated using several algorithms. As a result of the neural network training procedure, more than ten different forms of time series were found. They describe the dynamics of word usage frequencies from birth to death of individual words. Different groups of word forms were found to have different dynamics of word usage frequency variations

  8. Cluster Dynamics: Laying the Foundation for Tailoring the Design of Cluster ASSE

    Science.gov (United States)

    2016-02-25

    AFRL-AFOSR-VA-TR-2016-0081 CLUSTER DYNAMICS: LAYING THE FOUNDATION FOR TAILORING THE DESIGN OF CLUSTER ASSE Albert Castleman PENNSYLVANIA STATE...15-10-2015 4. TITLE AND SUBTITLE CLUSTER DYNAMICS: LAYING THE FOUNDATION FOR TAILORING THE DESIGN OF CLUSTER ASSEMBLED NANOSCALE MATERIALS 5a... clusters as the building blocks of new materials with tailored properties that are beneficial to the AFOSR. Our continuing program is composed of two

  9. Dynamics of gravitational systems: Globular clusters and dark matter halos

    International Nuclear Information System (INIS)

    Oh, K.

    1989-01-01

    The evolution of globular clusters is investigated using a combination of the modified Fokker-Plank equation and numerical integrations of N-body systems. The orbit-averaged diffusion coefficients in the inner region of the cluster and integrated orbits of the stars in the outer region are used. The King-Michie distribution is adopted as an initial model. Both isotropic and anisotropic cases are examined. The following was found. There is no orbital phase dependence of tidal radius of clusters in eccentric orbits. The number of stars with retrograde orbits is similar to the number with prograde orbits inside the tidal radius for the isotropic case. Escape rates are similar to those found in previous work for the isotropic case but considerably smaller in the anisotropic case. Disk shocking is very efficient isotropizing the orbits of stars in the outer region of the cluster in the anisotropic case. The response of dark matter galactic halos during the dissipational collapse of the baryonic matter are investigated. N-body simulations are used with the total mass and z-component of angular momentum conserved. Then the baryonic matter is forced to contract, forming the final luminous components of the galaxy. Both slow and fast growth of the luminous components are considered. Relatively flat rotation curves are easily obtained for reasonable values of the free parameters. There is no significant difference between slow collapse and fast collapse for all these results

  10. Analyzing Big Data with Dynamic Quantum Clustering

    OpenAIRE

    Weinstein, M.; Meirer, F.; Hume, A.; Sciau, Ph.; Shaked, G.; Hofstetter, R.; Persi, E.; Mehta, A.; Horn, D.

    2013-01-01

    How does one search for a needle in a multi-dimensional haystack without knowing what a needle is and without knowing if there is one in the haystack? This kind of problem requires a paradigm shift - away from hypothesis driven searches of the data - towards a methodology that lets the data speak for itself. Dynamic Quantum Clustering (DQC) is such a methodology. DQC is a powerful visual method that works with big, high-dimensional data. It exploits variations of the density of the data (in f...

  11. Single-cluster dynamics for the random-cluster model

    NARCIS (Netherlands)

    Deng, Y.; Qian, X.; Blöte, H.W.J.

    2009-01-01

    We formulate a single-cluster Monte Carlo algorithm for the simulation of the random-cluster model. This algorithm is a generalization of the Wolff single-cluster method for the q-state Potts model to noninteger values q>1. Its results for static quantities are in a satisfactory agreement with those

  12. High-order dynamic lattice method for seismic simulation in anisotropic media

    Science.gov (United States)

    Hu, Xiaolin; Jia, Xiaofeng

    2018-03-01

    The discrete particle-based dynamic lattice method (DLM) offers an approach to simulate elastic wave propagation in anisotropic media by calculating the anisotropic micromechanical interactions between these particles based on the directions of the bonds that connect them in the lattice. To build such a lattice, the media are discretized into particles. This discretization inevitably leads to numerical dispersion. The basic lattice unit used in the original DLM only includes interactions between the central particle and its nearest neighbours; therefore, it represents the first-order form of a particle lattice. The first-order lattice suffers from numerical dispersion compared with other numerical methods, such as high-order finite-difference methods, in terms of seismic wave simulation. Due to its unique way of discretizing the media, the particle-based DLM no longer solves elastic wave equations; this means that one cannot build a high-order DLM by simply creating a high-order discrete operator to better approximate a partial derivative operator. To build a high-order DLM, we carry out a thorough dispersion analysis of the method and discover that by adding more neighbouring particles into the lattice unit, the DLM will yield different spatial accuracy. According to the dispersion analysis, the high-order DLM presented here can adapt the requirement of spatial accuracy for seismic wave simulations. For any given spatial accuracy, we can design a corresponding high-order lattice unit to satisfy the accuracy requirement. Numerical tests show that the high-order DLM improves the accuracy of elastic wave simulation in anisotropic media.

  13. Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

    Science.gov (United States)

    Fuson, Michael M.

    2017-01-01

    Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…

  14. (3+1)-dimensional anisotropic fluid dynamics with a lattice QCD equation of state arXiv

    CERN Document Server

    McNelis, M.; Heinz, U.

    Anisotropic hydrodynamics improves upon standard dissipative fluid dynamics by treating certain large dissipative corrections non-perturbatively. Relativistic heavy-ion collisions feature two such large dissipative effects: (i) Strongly anisotropic expansion generates a large shear stress component which manifests itself in very different longitudinal and transverse pressures, especially at early times. (ii) Critical fluctuations near the quark-hadron phase transition lead to a large bulk viscous pressure on the conversion surface between hydrodynamics and a microscopic hadronic cascade description of the final collision stage. We present a new dissipative hydrodynamic formulation for non-conformal fluids where both of these effects are treated nonperturbatively. The evolution equations are derived from the Boltzmann equation in the 14-moment approximation, using an expansion around an anisotropic leading-order distribution function with two momentum-space deformation parameters, accounting for the longitudin...

  15. Dynamic Trajectory Extraction from Stereo Vision Using Fuzzy Clustering

    Science.gov (United States)

    Onishi, Masaki; Yoda, Ikushi

    In recent years, many human tracking researches have been proposed in order to analyze human dynamic trajectory. These researches are general technology applicable to various fields, such as customer purchase analysis in a shopping environment and safety control in a (railroad) crossing. In this paper, we present a new approach for tracking human positions by stereo image. We use the framework of two-stepped clustering with k-means method and fuzzy clustering to detect human regions. In the initial clustering, k-means method makes middle clusters from objective features extracted by stereo vision at high speed. In the last clustering, c-means fuzzy method cluster middle clusters based on attributes into human regions. Our proposed method can be correctly clustered by expressing ambiguity using fuzzy clustering, even when many people are close to each other. The validity of our technique was evaluated with the experiment of trajectories extraction of doctors and nurses in an emergency room of a hospital.

  16. Anisotropic damage and dynamic behavior of reinforced concrete structures until failure

    International Nuclear Information System (INIS)

    Chambart, M.

    2009-09-01

    Dynamic loadings such as impact on reinforced concrete structures lead to degradations and structural failures significantly different to the ones observed for quasi-static loadings. Local effects (spalling, compaction...) and global mechanisms (bending, shear, perforation...) are experimentally observed. Wave propagation due to dynamics loadings can lead to failure in tension in a part of a structure or a component previously in compression. Induced damage anisotropy in concrete is partly responsible for the dissymmetry of behavior between tension and compression. Concrete anisotropy can be modelled by means of a second order damage tensor. In the damage model considered, damage growth is governed by the positive extensions. The model, written in the thermodynamics framework, is robust and is able to compute efficiently Reinforced Concrete (RC) structures. The initial anisotropic model is here extended to dynamics by introducing a viscosity law to govern dynamic damage evolution. The strain rate effect observed experimentally in tension (strength increases with strain rate) is reproduced. In compression no strain rate is introduced since inertial forces seem sufficient to reproduce the strength enhancement in dynamics. One also focuses on regularization issues. For high strain rates the solution is regularized since the characteristic time introduced indirectly defines an internal length and since the damage rate is bounded by a maximum damage rate parameter (visco/delay damage law). This visco/delay regularization is efficient at large strain rates, otherwise, the delay in damage evolution is too small to let damage grow in a wide enough zone. For quasi-static or low speed dynamic cases, the regularization is gained by means of classical non-local damage. For intermediary loading rates where both the strain rate effect and the non-local regularization are needed, a non-local delay-damage model is written (and used in 3D computations). The example of a dynamic

  17. Dynamical quorum sensing and clustering dynamics in a population of spatially distributed active rotators

    Science.gov (United States)

    Sakaguchi, Hidetsugu; Maeyama, Satomi

    2013-02-01

    A model of clustering dynamics is proposed for a population of spatially distributed active rotators. A transition from excitable to oscillatory dynamics is induced by the increase of the local density of active rotators. It is interpreted as dynamical quorum sensing. In the oscillation regime, phase waves propagate without decay, which generates an effectively long-range interaction in the clustering dynamics. The clustering process becomes facilitated and only one dominant cluster appears rapidly as a result of the dynamical quorum sensing. An exact localized solution is found to a simplified model equation, and the competitive dynamics between two localized states is studied numerically.

  18. Cooperation, clustering, and assortative mixing in dynamic networks.

    Science.gov (United States)

    Melamed, David; Harrell, Ashley; Simpson, Brent

    2018-01-30

    Humans' propensity to cooperate is driven by our embeddedness in social networks. A key mechanism through which networks promote cooperation is clustering. Within clusters, conditional cooperators are insulated from exploitation by noncooperators, allowing them to reap the benefits of cooperation. Dynamic networks, where ties can be shed and new ties formed, allow for the endogenous emergence of clusters of cooperators. Although past work suggests that either reputation processes or network dynamics can increase clustering and cooperation, existing work on network dynamics conflates reputations and dynamics. Here we report results from a large-scale experiment (total n = 2,675) that embedded participants in clustered or random networks that were static or dynamic, with varying levels of reputational information. Results show that initial network clustering predicts cooperation in static networks, but not in dynamic ones. Further, our experiment shows that while reputations are important for partner choice, cooperation levels are driven purely by dynamics. Supplemental conditions confirmed this lack of a reputation effect. Importantly, we find that when participants make individual choices to cooperate or defect with each partner, as opposed to a single decision that applies to all partners (as is standard in the literature on cooperation in networks), cooperation rates in static networks are as high as cooperation rates in dynamic networks. This finding highlights the importance of structured relations for sustained cooperation, and shows how giving experimental participants more realistic choices has important consequences for whether dynamic networks promote higher levels of cooperation than static networks.

  19. Dynamics of Galaxy Clusters and their Outskirts

    DEFF Research Database (Denmark)

    Falco, Martina

    Galaxy clusters have demonstrated to be powerful probes of cosmology, since their mass and abundance depend on the cosmological model that describes the Universe and on the gravitational formation process of cosmological structures. The main challenge in using clusters to constrain cosmology...... is that their masses cannot be measured directly, but need to be inferred indirectly through their observable properties. The most common methods extract the cluster mass from their strong X-ray emission or from the measured redshifts of the galaxy members. The gravitational lensing effect caused by clusters...... on the background galaxies is also an important trace of their total mass distribution.In the work presented within this thesis, we exploit the connection between the gravitational potential of galaxy clusters and the kinematical properties of their surroundings, in order to determine the total cluster mass...

  20. Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation

    OpenAIRE

    Chavoshi, Saeed Zare; Goel, Saurav; Luo, Xichun

    2016-01-01

    Using molecular dynamics (MD) simulation, this paper investigates anisotropic cutting behaviour of single crystal silicon in vacuum under a wide range of substrate temperatures (300 K, 500 K, 750 K, 850 K, 1173 K and 1500 K). Specific cutting energy, force ratio, stress in the cutting zone and cutting temperature were the indicators used to quantify the differences in the cutting behaviour of silicon. A key observation was that the specific cutting energy required to cut the (1 1 1) surface o...

  1. Galaxy Cluster Mass Reconstruction Project - III. The impact of dynamical substructure on cluster mass estimates

    Science.gov (United States)

    Old, L.; Wojtak, R.; Pearce, F. R.; Gray, M. E.; Mamon, G. A.; Sifón, C.; Tempel, E.; Biviano, A.; Yee, H. K. C.; de Carvalho, R.; Müller, V.; Sepp, T.; Skibba, R. A.; Croton, D.; Bamford, S. P.; Power, C.; von der Linden, A.; Saro, A.

    2018-03-01

    With the advent of wide-field cosmological surveys, we are approaching samples of hundreds of thousands of galaxy clusters. While such large numbers will help reduce statistical uncertainties, the control of systematics in cluster masses is crucial. Here we examine the effects of an important source of systematic uncertainty in galaxy-based cluster mass estimation techniques: the presence of significant dynamical substructure. Dynamical substructure manifests as dynamically distinct subgroups in phase-space, indicating an `unrelaxed' state. This issue affects around a quarter of clusters in a generally selected sample. We employ a set of mock clusters whose masses have been measured homogeneously with commonly used galaxy-based mass estimation techniques (kinematic, richness, caustic, radial methods). We use these to study how the relation between observationally estimated and true cluster mass depends on the presence of substructure, as identified by various popular diagnostics. We find that the scatter for an ensemble of clusters does not increase dramatically for clusters with dynamical substructure. However, we find a systematic bias for all methods, such that clusters with significant substructure have higher measured masses than their relaxed counterparts. This bias depends on cluster mass: the most massive clusters are largely unaffected by the presence of significant substructure, but masses are significantly overestimated for lower mass clusters, by ˜ 10 per cent at 1014 and ≳ 20 per cent for ≲ 1013.5. The use of cluster samples with different levels of substructure can therefore bias certain cosmological parameters up to a level comparable to the typical uncertainties in current cosmological studies.

  2. Dynamic multifactor clustering of financial networks

    Science.gov (United States)

    Ross, Gordon J.

    2014-02-01

    We investigate the tendency for financial instruments to form clusters when there are multiple factors influencing the correlation structure. Specifically, we consider a stock portfolio which contains companies from different industrial sectors, located in several different countries. Both sector membership and geography combine to create a complex clustering structure where companies seem to first be divided based on sector, with geographical subclusters emerging within each industrial sector. We argue that standard techniques for detecting overlapping clusters and communities are not able to capture this type of structure and show how robust regression techniques can instead be used to remove the influence of both sector and geography from the correlation matrix separately. Our analysis reveals that prior to the 2008 financial crisis, companies did not tend to form clusters based on geography. This changed immediately following the crisis, with geography becoming a more important determinant of clustering structure.

  3. Anisotropic universe with anisotropic sources

    Science.gov (United States)

    Aluri, Pavan K.; Panda, Sukanta; Sharma, Manabendra; Thakur, Snigdha

    2013-12-01

    We analyze the state space of a Bianchi-I universe with anisotropic sources. Here we consider an extended state space which includes null geodesics in this background. The evolution equations for all the state observables are derived. Dynamical systems approach is used to study the evolution of these equations. The asymptotic stable fixed points for all the evolution equations are found. We also check our analytic results with numerical analysis of these dynamical equations. The evolution of the state observables are studied both in cosmic time and using a dimensionless time variable. Then we repeat the same analysis with a more realistic scenario, adding the isotropic (dust like dark) matter and a cosmological constant (dark energy) to our anisotropic sources, to study their co-evolution. The universe now approaches a de Sitter space asymptotically dominated by the cosmological constant. The cosmic microwave background anisotropy maps due to shear are also generated in this scenario, assuming that the universe contains anisotropic matter along with the usual (dark) matter and vacuum (dark) energy since decoupling. We find that they contribute dominantly to the CMB quadrupole. We also constrain the current level of anisotropy and also search for any cosmic preferred axis present in the data. We use the Union 2 Supernovae data to this extent. An anisotropy axis close to the mirror symmetry axis seen in the cosmic microwave background data from Planck probe is found.

  4. Advances in molecular vibrations and collision dynamics molecular clusters

    CERN Document Server

    Bacic, Zatko

    1998-01-01

    This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, refle...

  5. Analysis of the dynamical cluster approximation for the Hubbard model

    OpenAIRE

    Aryanpour, K.; Hettler, M. H.; Jarrell, M.

    2002-01-01

    We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic potential. We show that approximating non-compact diagrams by their cluster analogs results in a larger systematic error as compared to the compact diagrams. Consequently, only the compact contributions should be taken from the cluster, whereas non-compact ...

  6. DYNER: A DYNamic ClustER for Education and Research

    Science.gov (United States)

    Kehagias, Dimitris; Grivas, Michael; Mamalis, Basilis; Pantziou, Grammati

    2006-01-01

    Purpose: The purpose of this paper is to evaluate the use of a non-expensive dynamic computing resource, consisting of a Beowulf class cluster and a NoW, as an educational and research infrastructure. Design/methodology/approach: Clusters, built using commodity-off-the-shelf (COTS) hardware components and free, or commonly used, software, provide…

  7. Thermodynamics of small clusters of atoms: A molecular dynamics simulation

    DEFF Research Database (Denmark)

    Damgaard Kristensen, W.; Jensen, E. J.; Cotterill, Rodney M J

    1974-01-01

    The thermodynamic properties of clusters containing 55, 135, and 429 atoms have been calculated using the molecular dynamics method. Structural and vibrational properties of the clusters were examined at different temperatures in both the solid and the liquid phase. The nature of the melting...

  8. Influence of cluster mobility on Cu precipitation in α-Fe: A cluster dynamics modeling

    International Nuclear Information System (INIS)

    Jourdan, T.; Soisson, F.; Clouet, E.; Barbu, A.

    2010-01-01

    A cluster dynamics model has been parametrized to quantitatively reproduce results obtained by atomistic kinetic Monte Carlo (AKMC) modeling on the precipitation of Cu in α-Fe under thermal aging. The cluster mobility, highlighted by AKMC, is shown to have a significant effect on the precipitation kinetics and can reconcile the experimentally observed fast kinetics with the relatively low diffusivity of Cu monomers.

  9. Ananke: temporal clustering reveals ecological dynamics of microbial communities

    Directory of Open Access Journals (Sweden)

    Michael W. Hall

    2017-09-01

    Full Text Available Taxonomic markers such as the 16S ribosomal RNA gene are widely used in microbial community analysis. A common first step in marker-gene analysis is grouping genes into clusters to reduce data sets to a more manageable size and potentially mitigate the effects of sequencing error. Instead of clustering based on sequence identity, marker-gene data sets collected over time can be clustered based on temporal correlation to reveal ecologically meaningful associations. We present Ananke, a free and open-source algorithm and software package that complements existing sequence-identity-based clustering approaches by clustering marker-gene data based on time-series profiles and provides interactive visualization of clusters, including highlighting of internal OTU inconsistencies. Ananke is able to cluster distinct temporal patterns from simulations of multiple ecological patterns, such as periodic seasonal dynamics and organism appearances/disappearances. We apply our algorithm to two longitudinal marker gene data sets: faecal communities from the human gut of an individual sampled over one year, and communities from a freshwater lake sampled over eleven years. Within the gut, the segregation of the bacterial community around a food-poisoning event was immediately clear. In the freshwater lake, we found that high sequence identity between marker genes does not guarantee similar temporal dynamics, and Ananke time-series clusters revealed patterns obscured by clustering based on sequence identity or taxonomy. Ananke is free and open-source software available at https://github.com/beiko-lab/ananke.

  10. Emission of water clusters: molecular dynamic simulation

    International Nuclear Information System (INIS)

    Kutliev, U.O.; Kalandarov, K.S.

    2006-01-01

    Full text: Secondary ion mass spectrometry (SIMS) is a wonderful technique for providing mass spectrometric information of molecules on surfaces. Theoretical studies of the keV bombardment of organic films on metallic surfaces have contributed to our understanding of the mechanisms governing these processes. Many experiments of keV bombardment, however, are performed both thick and thin organic targets [1]. Molecular systems investigated experimentally by SIMS include adsorbed films on a metal substrate, molecular solids, polymers, or even biological cells. In this account, we focus on thin organic layers on metal substrates as they are used for analytical purposes, are intriguing from a fundamental viewpoint, and are computationally tractable [2]. There are we present molecular dynamics (MD) simulations aimed at obtaining such a microscopic picture and mass spectrum of sputtering particles. Because of the importance of H 2 O in many of the experiments, we have chosen it as our system. Water is also attractive as a system because of the extensive literature available on its physical properties. The interaction potentials available for MD simulations of H 2 O are sufficiently reliable such that a quantitative analysis of the simulation results can be directly related to the parameters of water. From the variety of substrate materials used in different experiments, we have chosen to perform our simulations using Au. This substance is chosen to match preliminary experiments with the selective killing of cells by inserted Au nanoparticles and because of the availability of good interaction potentials for gold. In the simulations, we bombarded by ions Ar the surface Au(III) covered by ice film. The interaction potential employed to describe the H 2 O-H 2 O interaction is the simple-point-charge (SPC) water potential developed by Berendsen et al. [3]. This potential has been used extensively to study the properties of H 2 O as a solid [4, 5]. It has been shown that the

  11. A mathematical model for the dynamics of clustering

    Science.gov (United States)

    Aeyels, Dirk; De Smet, Filip

    2008-10-01

    The formation of several clusters, arising from attracting forces between nonidentical entities or agents, is a phenomenon observed in diverse fields. Think of people gathered through a mutual interest, swarm behaviour of animals or clustering of oscillators in brain cells. We introduce a dynamic model of mutually attracting agents for which we prove that the long-term behaviour consists of agents organized into several groups or clusters. We have completely characterized the cluster structure (i.e. the number of clusters and their composition) by means of a set of inequalities in the parameters of the model and have identified the intensity of the attraction as a key parameter governing the transition between different cluster structures. The versatility of the model will be illustrated by discussing its relation to the Kuramoto model and by describing how it applies to a system of interconnected water basins.

  12. Workload dynamics on clusters and grids

    NARCIS (Netherlands)

    Li, H.

    2009-01-01

    This paper presents a comprehensive statistical analysis of a variety of workloads collected on production clusters and Grids. The applications are mostly computational-intensive and each task requires single CPU for processing data, which dominate the workloads on current production Grid systems.

  13. Dynamics of globular cluster systems in elliptical galaxies

    NARCIS (Netherlands)

    Romanowsky, AJ; Geisler, D; Grebel, EK; Minniti, D

    2002-01-01

    One of the most promising avenues for exploring the dynamics of the outer parts of elliptical galaxies involves using bright discrete objects as kinematical tracers: globular clusters and planetary nebulae. As large data sets are becoming available, rigorous dynamical analyses are needed to

  14. Sensitivity evaluation of dynamic speckle activity measurements using clustering methods

    International Nuclear Information System (INIS)

    Etchepareborda, Pablo; Federico, Alejandro; Kaufmann, Guillermo H.

    2010-01-01

    We evaluate and compare the use of competitive neural networks, self-organizing maps, the expectation-maximization algorithm, K-means, and fuzzy C-means techniques as partitional clustering methods, when the sensitivity of the activity measurement of dynamic speckle images needs to be improved. The temporal history of the acquired intensity generated by each pixel is analyzed in a wavelet decomposition framework, and it is shown that the mean energy of its corresponding wavelet coefficients provides a suited feature space for clustering purposes. The sensitivity obtained by using the evaluated clustering techniques is also compared with the well-known methods of Konishi-Fujii, weighted generalized differences, and wavelet entropy. The performance of the partitional clustering approach is evaluated using simulated dynamic speckle patterns and also experimental data.

  15. Dynamic Extension of a Virtualized Cluster by using Cloud Resources

    International Nuclear Information System (INIS)

    Oberst, Oliver; Hauth, Thomas; Kernert, David; Riedel, Stephan; Quast, Günter

    2012-01-01

    The specific requirements concerning the software environment within the HEP community constrain the choice of resource providers for the outsourcing of computing infrastructure. The use of virtualization in HPC clusters and in the context of cloud resources is therefore a subject of recent developments in scientific computing. The dynamic virtualization of worker nodes in common batch systems provided by ViBatch serves each user with a dynamically virtualized subset of worker nodes on a local cluster. Now it can be transparently extended by the use of common open source cloud interfaces like OpenNebula or Eucalyptus, launching a subset of the virtual worker nodes within the cloud. This paper demonstrates how a dynamically virtualized computing cluster is combined with cloud resources by attaching remotely started virtual worker nodes to the local batch system.

  16. Electrostatic effects on clustering and ion dynamics in ionomer melts

    Science.gov (United States)

    Ma, Boran; Nguyen, Trung; Pryamitsyn, Victor; Olvera de La Cruz, Monica

    An understanding of the relationships between ionomer chain morphology, dynamics and counter-ion mobility is a key factor in the design of ion conducting membranes for battery applications. In this study, we investigate the influence of electrostatic coupling between randomly charged copolymers (ionomers) and counter ions on the structural and dynamic features of a model system of ionomer melts. Using coarse-grained molecular dynamics (CGMD) simulations, we found that variations in electrostatic coupling strength (Γ) remarkably affect the formation of ion-counter ion clusters, ion mobility, and polymer dynamics for a range of charged monomer fractions. Specifically, an increase in Γ leads to larger ionic cluster sizes and reduced polymer and ion mobility. Analysis of the distribution of the radius of gyration of the clusters further reveals that the fractal dimension of the ion clusters is nearly independent from Γ for all the cases studied. Finally, at sufficiently high values of Γ, we observed arrested heterogeneous ions mobility, which is correlated with an increase in ion cluster size. These findings provide insight into the role of electrostatics in governing the nanostructures formed by ionomers.

  17. Method for discovering relationships in data by dynamic quantum clustering

    Science.gov (United States)

    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.

  18. Method for discovering relationships in data by dynamic quantum clustering

    Energy Technology Data Exchange (ETDEWEB)

    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.

  19. The dynamical evolution of binaries in clusters

    International Nuclear Information System (INIS)

    Heggie, D.C.

    1975-01-01

    Using information on the rates at which binaries suffer encounters in a stellar system (Heggie, 1974), the effects of such processes on the evolution of the system itself are studied. First considering systems with no binaries initially, it is shown that low-energy pairs attain a quasi-equilibrium distribution comparatively quickly. Their effect on the evolution of the cluster is negligible compared with that of two-body relaxation. In small systems energetic pairs may form sufficiently quickly to exercise a substantial effect on its development and on the escape rate, but in large systems their appearance is delayed until the evolution of the core is well advanced. In that case they appear to be responsible for arresting the collapse of the core at some stage. Binaries of low energy, even if present initially in large numbers, are likely to have at most only a temporary effect on the evolution of the system. High-energy pairs are not so easily destroyed, and so, if present initially, their effect is persistent. It competes with two-body relaxation especially when the fraction of such pairs and the total number-density are high, as in the core, where, in addition, binaries tend to congregate by mass segregation. When encounters with binaries become important, being mostly 'super-elastic' they enhance escape and lead to ejection of mass from the core into the halo, thus accelerating the rate at which mass is lost by tidal forces. It is difficult to decide observationally whether globular clusters possess sufficiently large numbers of binaries for these effects to be important. (Auth.)

  20. The filler-rubber interface in styrene butadiene nanocomposites with anisotropic silica particles: morphology and dynamic properties.

    Science.gov (United States)

    Tadiello, L; D'Arienzo, M; Di Credico, B; Hanel, T; Matejka, L; Mauri, M; Morazzoni, F; Simonutti, R; Spirkova, M; Scotti, R

    2015-05-28

    Silica-styrene butadiene rubber (SBR) nanocomposites were prepared by using shape-controlled spherical and rod-like silica nanoparticles (NPs) with different aspect ratios (AR = 1-5), obtained by a sol-gel route assisted by a structure directing agent. The nanocomposites were used as models to study the influence of the particle shape on the formation of nanoscale immobilized rubber at the silica-rubber interface and its effect on the dynamic-mechanical behavior. TEM and AFM tapping mode analyses of nanocomposites demonstrated that the silica particles are surrounded by a rubber layer immobilized at the particle surface. The spherical filler showed small contact zones between neighboring particles in contact with thin rubber layers, while anisotropic particles (AR > 2) formed domains of rods preferentially aligned along the main axis. A detailed analysis of the polymer chain mobility by different time domain nuclear magnetic resonance (TD-NMR) techniques evidenced a population of rigid rubber chains surrounding particles, whose amount increases with the particle anisotropy, even in the absence of significant differences in terms of chemical crosslinking. Dynamic measurements demonstrate that rod-like particles induce stronger reinforcement of rubber, increasing with the AR. This was related to the self-alignment of the anisotropic silica particles in domains able to immobilize rubber.

  1. Quantum correlation dynamics subjected to critical spin environment with short-range anisotropic interaction.

    Science.gov (United States)

    Guo, J L; Zhang, X Z

    2016-09-06

    Short-range interaction among the spins can not only results in the rich phase diagram but also brings about fascinating phenomenon both in the contexts of quantum computing and information. In this paper, we investigate the quantum correlation of the system coupled to a surrounding environment with short-range anisotropic interaction. It is shown that the decay of quantum correlation of the central spins measured by pairwise entanglement and quantum discord can serve as a signature of quantum phase transition. In addition, we study the decoherence factor of the system when the environment is in the vicinity of the phase transition point. In the strong coupling regime, the decay of the decoherence factor exhibits Gaussian envelop in the time domain. However, in weak coupling limit, the quantum correlation of the system is robust against the disturbance of the magnetic field through optimal control of the anisotropic short-range interaction strength. Based on this, the effects of the short-range anisotropic interaction on the sudden transition from classical to quantum decoherence are also presented.

  2. Isomerization dynamics and thermodynamics of ionic argon clusters

    Science.gov (United States)

    Calvo, F.; Gadéa, F. X.; Lombardi, A.; Aquilanti, V.

    2006-09-01

    The dynamics and thermodynamics of small Arn+ clusters, n =3, 6, and 9, are investigated using molecular dynamics (MD) and exchange Monte Carlo (MC) simulations. A diatomic-in-molecule Hamiltonian provides an accurate model for the electronic ground state potential energy surface. The microcanonical caloric curves calculated from MD and MC methods are shown to agree with each other, provided that the rigorous conservation of angular momentum is accounted for in the phase space density of the MC simulations. The previously proposed projective partition of the kinetic energy is used to assist MD simulations in interpreting the cluster dynamics in terms of inertial, internal, and external modes. The thermal behavior is correlated with the nature of the charged core in the cluster by computing a dedicated charge localization order parameter. We also perform systematic quenches to establish a connection with the various isomers. We find that the Ar3+ cluster is very stable in its linear ground state geometry up to about 300K, and then isomerizes to a T-shaped isomer in which a quasineutral atom lies around a charged dimer. In Ar6+ and Ar9+, the covalent trimer core is solvated by neutral atoms, and the weakly bound solvent shell melts at much lower energies, occasionally leading to a tetramer or pentamer core with weakly charged extremities. At high energies the core itself becomes metastable and the cluster transforms into Ar2+ solvated by a fluid of neutral argon atoms.

  3. Complexity functions for networks: Dynamical hubs and complexity clusters

    Science.gov (United States)

    Afraimovich, Valentin; Dmitrichev, Aleksei; Shchapin, Dmitry; Nekorkin, Vladimir

    2018-02-01

    A method for studying the behavior of the elements of dynamical networks is introduced. We measure the amount of instability stored at each element according to the value of the mean complexity related to this element. Elements with close values of the mean complexity can be unified into complexity clusters; elements with the smallest values of complexities form dynamical hubs. The effectiveness of the method is manifested by its successive application to networks of coupled Lorenz systems.

  4. Metal cluster fission: jellium model and Molecular dynamics simulations

    DEFF Research Database (Denmark)

    Lyalin, Andrey G.; Obolensky, Oleg I.; Solov'yov, Ilia

    2004-01-01

    Fission of doubly charged sodium clusters is studied using the open-shell two-center deformed jellium model approximation and it ab initio molecular dynamic approach accounting for all electrons in the system. Results of calculations of fission reactions Na_10^2+ --> Na_7^+ + Na_3^+ and Na_18...

  5. Binary Populations and Stellar Dynamics in Young Clusters

    Science.gov (United States)

    Vanbeveren, D.; Belkus, H.; Van Bever, J.; Mennekens, N.

    2008-06-01

    We first summarize work that has been done on the effects of binaries on theoretical population synthesis of stars and stellar phenomena. Next, we highlight the influence of stellar dynamics in young clusters by discussing a few candidate UFOs (unconventionally formed objects) like intermediate mass black holes, η Car, ζ Pup, γ2 Velorum and WR 140.

  6. Dynamics of Stars and Globular Clusters in Galaxy Halos

    NARCIS (Netherlands)

    Romanowsky, Aaron J.; Douglas, Nigel G.; Kuijken, Konrad; Arnaboldi, Magda; Kissler-Patig, Markus; Sharples, Ray M.; Zepf, Stephen E.; Rhode, Katherine L.; Kissler-Patig, M.

    2003-01-01

    We have obtained kinematical data in the halos of the giant ellipticals M49 and M87. These include globular cluster velocities in M49 to 10 R_eff and planetary nebula velocities in M49 and M87 to 4 R_eff. We report initial results, including dynamical comparisons between the diffuse stellar

  7. Dynamics, Chemical Abundances, and ages of Globular Clusters in the Virgo Cluster of Galaxies

    Science.gov (United States)

    Guhathakurta, Puragra; NGVS Collaboration

    2018-01-01

    We present a study of the dynamics, metallicities, and ages of globular clusters (GCs) in the Next Generation Virgo cluster Survey (NGVS), a deep, multi-band (u, g, r, i, z, and Ks), wide-field (104 deg2) imaging survey carried out using the 3.6-m Canada-France-Hawaii Telescope and MegaCam imager. GC candidates were selected from the NGVS survey using photometric and image morphology criteria and these were followed up with deep, medium-resolution, multi-object spectroscopy using the Keck II 10-m telescope and DEIMOS spectrograph. The primary spectroscopic targets were candidate GC satellites of dwarf elliptical (dE) and ultra-diffuse galaxies (UDGs) in the Virgo cluster. While many objects were confirmed as GC satellites of Virgo dEs and UDGs, many turned out to be non-satellites based on their radial velocity and/or positional mismatch any identifiable Virgo cluster galaxy. We have used a combination of spectral characteristics (e.g., presence of absorption vs. emission lines), new Gaussian mixture modeling of radial velocity and sky position data, and a new extreme deconvolution analysis of ugrizKs photometry and image morphology, to classify all the objects in our sample into: (1) GC satellites of dE galaxies, (2) GC satellites of UDGs, (3) intra-cluster GCs (ICGCs) in the Virgo cluster, (4) GCs in the outer halo of the central cluster galaxy M87, (5) foreground Milky Way stars, and (6) distant background galaxies. We use these data to study the dynamics and dark matter content of dE and UDGs in the Virgo cluster, place important constraints on the nature of dE nuclei, and study the origin of ICGCs versus GCs in the remote M87 halo.We are grateful for financial support from the NSF and NASA/STScI.

  8. Phase transition in anisotropic holographic superfluids with arbitrary dynamical critical exponent z and hyperscaling violation factor α

    Energy Technology Data Exchange (ETDEWEB)

    Park, Miok [Korea Institute for Advanced Study, Seoul (Korea, Republic of); Park, Jiwon; Oh, Jae-Hyuk [Hanyang University, Department of Physics, Seoul (Korea, Republic of)

    2017-11-15

    Einstein-scalar-U(2) gauge field theory is considered in a spacetime characterized by α and z, which are the hyperscaling violation factor and the dynamical critical exponent, respectively. We consider a dual fluid system of such a gravity theory characterized by temperature T and chemical potential μ. It turns out that there is a superfluid phase transition where a vector order parameter appears which breaks SO(3) global rotation symmetry of the dual fluid system when the chemical potential becomes a certain critical value. To study this system for arbitrary z and α, we first apply Sturm-Liouville theory and estimate the upper bounds of the critical values of the chemical potential. We also employ a numerical method in the ranges of 1 ≤ z ≤ 4 and 0 ≤ α ≤ 4 to check if the Sturm-Liouville method correctly estimates the critical values of the chemical potential. It turns out that the two methods are agreed within 10 percent error ranges. Finally, we compute free energy density of the dual fluid by using its gravity dual and check if the system shows phase transition at the critical values of the chemical potential μ{sub c} for the given parameter region of α and z. Interestingly, it is observed that the anisotropic phase is more favored than the isotropic phase for relatively small values of z and α. However, for large values of z and α, the anisotropic phase is not favored. (orig.)

  9. Cluster Optimization and Parallelization of Simulations with Dynamically Adaptive Grids

    KAUST Repository

    Schreiber, Martin

    2013-01-01

    The present paper studies solvers for partial differential equations that work on dynamically adaptive grids stemming from spacetrees. Due to the underlying tree formalism, such grids efficiently can be decomposed into connected grid regions (clusters) on-the-fly. A graph on those clusters classified according to their grid invariancy, workload, multi-core affinity, and further meta data represents the inter-cluster communication. While stationary clusters already can be handled more efficiently than their dynamic counterparts, we propose to treat them as atomic grid entities and introduce a skip mechanism that allows the grid traversal to omit those regions completely. The communication graph ensures that the cluster data nevertheless are kept consistent, and several shared memory parallelization strategies are feasible. A hyperbolic benchmark that has to remesh selected mesh regions iteratively to preserve conforming tessellations acts as benchmark for the present work. We discuss runtime improvements resulting from the skip mechanism and the implications on shared memory performance and load balancing. © 2013 Springer-Verlag.

  10. Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Blondel, Sophie [Univ. of Tennessee, Knoxville, TN (United States); Bernholdt, David E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wirth, Brian D. [Univ. of Tennessee, Knoxville, TN (United States)

    2017-06-01

    The topic of this communication pertains to defect formation in irradiated solids such as plasma-facing tungsten submitted to helium implantation in fusion reactor com- ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product generation in nuclear reactors. The purpose of this progress report is to describe ef- forts towards addressing the prediction of long-time evolution of defects via continuum cluster dynamics simulation. The di culties are twofold. First, realistic, long-time dynamics in reactor conditions leads to a non-dilute di usion regime which is not accommodated by the prevailing dilute, stressless cluster dynamics theory. Second, long-time dynamics calls for a large set of species (ideally an in nite set) to capture all possible emerging defects, and this represents a computational bottleneck. Extensions beyond the dilute limit is a signi cant undertaking since no model has been advanced to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed approach to model the non-dilute limit is to monitor the appearance of a spatially localized void volume fraction in the solid matrix with a bell shape pro le and insert an explicit geometrical bubble onto the support of the bell function. The newly cre- ated internal moving boundary provides the means to account for the interfacial ux of mobile species into the bubble, and the growth of bubbles allows for coalescence phenomena which captures highly non-dilute interactions. We present a preliminary interfacial kinematic model with associated interfacial di usion transport to follow the evolution of the bubble in any number of spatial dimensions and any number of bubbles, which can be further extended to include a deformation theory. Finally we comment on a computational front-tracking method to be used in conjunction with conventional cluster dynamics simulations in the non-dilute model proposed.

  11. The dynamical evolution of a young star cluster

    Science.gov (United States)

    Kroupa, P.

    Observations show that the Trapezium Cluster in Orion is at most 1 Myr old, very dense, and containing about six OB stars at its centre. About 50 per cent or more of the cluster stars are binary systems. It may be expanding rapidly due to very recent gas blow-out, or it may be near virial equilibrium, or in cold collapse. The dynamics of the cluster is interesting because (i) it may be too young for dynamical evolution to have established the observed degree of mass segregation, and (ii) the binary population may still be young enough not to have been affected significantly by dynamical evolution. If both are true, then we have evidence that massive stars form at the centres of rich embedded clusters and that the binary proportion varies with star-forming conditions. A number of N-body calculations of model, binary-rich Trapezium Clusters have been performed using Aarseth's Nbody5 programme (Kroupa, Petr & McCaughrean 1998). Here, attention is focused on models in which the star formation efficiency was 50 per cent with instantaneous mass loss. It is found that the model central density and velocity dispersion agree with the observational constraints if expansion is only about 6x10^4 yr old. Additionally, the observed binary proportion constrains the primordial proportion to have been significantly less than in Taurus--Auriga. However, if variation of the birth binary proportion with gas cloud parameters has been detected can only be verified if the cluster can be shown to be expanding rapidly.

  12. Dynamic analysis of clustered building structures using substructures methods

    International Nuclear Information System (INIS)

    Leimbach, K.R.; Krutzik, N.J.

    1989-01-01

    The dynamic substructure approach to the building cluster on a common base mat starts with the generation of Ritz-vectors for each building on a rigid foundation. The base mat plus the foundation soil is subjected to kinematic constraint modes, for example constant, linear, quadratic or cubic constraints. These constraint modes are also imposed on the buildings. By enforcing kinematic compatibility of the complete structural system on the basis of the constraint modes a reduced Ritz model of the complete cluster is obtained. This reduced model can now be analyzed by modal time history or response spectrum methods

  13. High-performance dynamic quantum clustering on graphics processors

    International Nuclear Information System (INIS)

    Wittek, Peter

    2013-01-01

    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 Schrödinger 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 to 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.

  14. Functional clustering algorithm for the analysis of dynamic network data

    Science.gov (United States)

    Feldt, S.; Waddell, J.; Hetrick, V. L.; Berke, J. D.; Żochowski, M.

    2009-05-01

    We formulate a technique for the detection of functional clusters in discrete event data. The advantage of this algorithm is that no prior knowledge of the number of functional groups is needed, as our procedure progressively combines data traces and derives the optimal clustering cutoff in a simple and intuitive manner through the use of surrogate data sets. In order to demonstrate the power of this algorithm to detect changes in network dynamics and connectivity, we apply it to both simulated neural spike train data and real neural data obtained from the mouse hippocampus during exploration and slow-wave sleep. Using the simulated data, we show that our algorithm performs better than existing methods. In the experimental data, we observe state-dependent clustering patterns consistent with known neurophysiological processes involved in memory consolidation.

  15. Photodetachment and dissociation dynamics of microsolvated iodide clusters

    Energy Technology Data Exchange (ETDEWEB)

    Piani, G; Becucci, M [European Laboratory for Non-Linear Spectroscopy, Polo Scientifico e Tecnologico Universita di Firenze, via N Carrara 1, 50019 Sesto Fiorentino (Italy); Bowen, M S; Oakman, J; Hu, Q; Continetti, R E [Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0340 (United States)], E-mail: gpiani@lens.unifi.it, E-mail: becucci@lens.unifi.it, E-mail: rcontinetti@ucsd.edu

    2008-11-15

    The properties of anionic clusters I{sup -}X (X=carbon dioxide, water, ammonia, benzene, phenol, aniline and nitrobenzene) and their dissociation dynamics on the neutral potential energy surface following photodetachment (PD) were studied by photoelectron-photofragment coincidence experiments. Different reaction channels were available using 4.82 eV energy photons, leading to production of iodine in the {sup 2}P{sub 3/2} and {sup 2}P{sub 1/2} states and to both stable and dissociating neutral clusters. The partitioning of the available energy strongly favors the electron kinetic energy channel. The kinetic energy release in the fragment channel is rather small and dependent on the potential energy surface on which the process takes place. A multistep dissociative PD process is observed for the iodide-aniline cluster leading to production of zero kinetic energy electrons.

  16. Dispersion and shear-induced orientation of anisotropic nanoparticle filled polymer nanocomposites: insights from molecular dynamics simulation.

    Science.gov (United States)

    Zheng, Zijian; Wang, Zixuan; Wang, Lu; Liu, Jun; Wu, Youping; Zhang, Liqun

    2016-07-01

    Although a large number of studies have been performed to study the dispersion behavior of spherical nanoparticles (NPs) in the polymer matrix, little effort has been directed to anisotropic NPs via simulation, which is convenient for controlling the physical parameters compared to experiment. In this work we adopt molecular dynamics simulation to study polymer nanocomposites filled with anisotropic NPs such as graphene and carbon nanotubes (CNTs). We investigate the effects of the grafting position, grafting density, the length and flexibility of the grafted chains on the dispersion of graphene and CNTs. In particular, we find that when the grafting position is located on the surface center of the graphene or the middle of the CNT, the dispersion state is the best, leading to the greatest stress-strain behavior. Meanwhile, the mechanical property can be further strengthened by introducing chemical couplings in the interfacial region, by chemically tethering the grafted chains to the matrix chains. To monitor the processing effect, we exert a dynamic periodic shear deformation in the x direction with its gradient in the y direction. Polymer chains are found to align in the x direction, graphene sheets align in the xoz plane and CNTs orientate in the z direction. We study the effects of the shear amplitude, the shear frequency, polymer-NP interaction strength and volume fraction of NPs on the stress-strain behavior. We also observe that the relaxation process following the shear deformation deteriorates the mechanical performance, resulting from the disorientation of polymer chains and NPs. In general, this work could provide valuable guidance in manipulating the distribution and alignment of graphene and CNTs in the polymer matrix.

  17. Anisotropic sensitivity of RDX and HMX from compressive shear reactive dynamics study

    Science.gov (United States)

    Zhou, Tingting; An, Qi; Liu, Yi; Zybin, Sergey V.; Goddard, William A., III; Materials Process Simulation Center, Caltech Team

    2011-06-01

    The ReaxFF reactive force field was applied to study the mechanical and chemical behavior of RDX and HMX under combined compression and shear load. We use it to predict the anisotropic shock sensitivity of RDX and HMX single crystals. After compressed uniaxially along different shock directions, several preferable slip systems are chosen based on the maximum resolved shear stress. The pure shear deformation is applied at constant rate on these slip systems to relax the mechanical stresses until the crystal becomes amorphous. We find that the shear on a slip system with larger steric hindrance between molecules leads to larger shear stress overshoot and faster temperature increase resulting in early bond-breaking processes and initiation of chemical reactions. Our simulations confirm the effect of steric hindrance to shear on shock anisotropy of sensitivity and capture the thermochemical processes dominating the phenomena of shear-induced chemical initiation of shock- compressed explosives.

  18. Dynamic interaction of cracks in piezoelectric and anisotropic solids: A non-hypersingular BIEM approach

    Directory of Open Access Journals (Sweden)

    Dineva Petia

    2008-01-01

    Full Text Available A non-hypersingular traction boundary integral equation method (BIEM is proposed for the treatment of crack systems in piezoelectric or anisotropic plane domains loaded by time-harmonic waves. The solution is based on the frequency dependent fundamental solution obtained by Radon transform. The proposed method is flexible, numerically efficient and has virtually no limitations regarding the material type, crack geometry and type of wave loading. The accuracy and convergence of the BIEM solution for stress intensity factors is validated by comparison with existing results from the literature. Simulations for different crack configurations such as coplanar collinear or cracks in arbitrary position to each other are presented and discussed. They demonstrate among others the strong effect of electromechanical coupling, show the frequency dependent shielding and amplification resulting from crack interaction and reveal the sensitivity of the K-factors on the complex influence of both wave-crack and crack-crack interaction.

  19. Dynamic parallel ROOT facility clusters on the Alice Environment

    International Nuclear Information System (INIS)

    Luzzi, C; Betev, L; Carminati, F; Grigoras, C; Saiz, P; Manafov, A

    2012-01-01

    The ALICE collaboration has developed a production environment (AliEn) that implements the full set of the Grid tools enabling the full offline computational work-flow of the experiment, simulation, reconstruction and data analysis, in a distributed and heterogeneous computing environment. In addition to the analysis on the Grid, ALICE uses a set of local interactive analysis facilities installed with the Parallel ROOT Facility (PROOF). PROOF enables physicists to analyze medium-sized (order of 200-300 TB) data sets on a short time scale. The default installation of PROOF is on a static dedicated cluster, typically 200-300 cores. This well-proven approach, has its limitations, more specifically for analysis of larger datasets or when the installation of a dedicated cluster is not possible. Using a new framework called PoD (Proof on Demand), PROOF can be used directly on Grid-enabled clusters, by dynamically assigning interactive nodes on user request. The integration of Proof on Demand in the AliEn framework provides private dynamic PROOF clusters as a Grid service. This functionality is transparent to the user who will submit interactive jobs to the AliEn system.

  20. Large amplitude femtosecond electron dynamics in metal clusters

    CERN Document Server

    Daligault, J

    2003-01-01

    We present a theoretical model that allows us to study linear and non-linear aspects of the femtosecond electron dynamics in metal clusters. The theoretical approach consists in the classical limit of the time-dependent Kohn-Sham equations. The electrons are described by a phase-space distribution function which satisfies a Vlasov-like equation while the ions are treated classically. This allows simulations for clusters containing several hundreds of atoms and extending up to several hundreds of femtoseconds during which the description conserves the fermionic character of the electron distribution. This semi-quantal approach compares very well with the purely quantal treatment. As an application of this approach, we show the prominent role of the electron dynamics during and after the interaction with an intense femtosecond laser pulse.

  1. Binary cluster collision dynamics and minimum energy conformations

    Energy Technology Data Exchange (ETDEWEB)

    Muñoz, Francisco [Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Rogan, José; Valdivia, J.A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Varas, A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Nano-Bio Spectroscopy Group, ETSF Scientific Development Centre, Departamento de Física de Materiales, Universidad del País Vasco UPV/EHU, Av. Tolosa 72, E-20018 San Sebastián (Spain); Kiwi, Miguel, E-mail: m.kiwi.t@gmail.com [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile)

    2013-10-15

    The collision dynamics of one Ag or Cu atom impinging on a Au{sub 12} cluster is investigated by means of DFT molecular dynamics. Our results show that the experimentally confirmed 2D to 3D transition of Au{sub 12}→Au{sub 13} is mostly preserved by the resulting planar Au{sub 12}Ag and Au{sub 12}Cu minimum energy clusters, which is quite remarkable in view of the excess energy, well larger than the 2D–3D potential barrier height. The process is accompanied by a large s−d hybridization and charge transfer from Au to Ag or Cu. The dynamics of the collision process mainly yields fusion of projectile and target, however scattering and cluster fragmentation also occur for large energies and large impact parameters. While Ag projectiles favor fragmentation, Cu favors scattering due to its smaller mass. The projectile size does not play a major role in favoring the fragmentation or scattering channels. By comparing our collision results with those obtained by an unbiased minimum energy search of 4483 Au{sub 12}Ag and 4483 Au{sub 12}Cu configurations obtained phenomenologically, we find that there is an extra bonus: without increase of computer time collisions yield the planar lower energy structures that are not feasible to obtain using semi-classical potentials. In fact, we conclude that phenomenological potentials do not even provide adequate seeds for the search of global energy minima for planar structures. Since the fabrication of nanoclusters is mainly achieved by synthesis or laser ablation, the set of local minima configurations we provide here, and their distribution as a function of energy, are more relevant than the global minimum to analyze experimental results obtained at finite temperatures, and is consistent with the dynamical coexistence of 2D and 3D liquid Au clusters conformations obtained previously.

  2. Towards a Discrete Element Method (DEM) for modeling anisotropic, nano- and colloidal scale particles in Molecular Dynamics (MD)

    Science.gov (United States)

    Marson, Ryan; Spellings, Matthew; Anderson, Joshua; Glotzer, Sharon

    2014-03-01

    Faceted shapes, such as polyhedra, are commonly created in experimental systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystalline nucleation and growth, vacancy motion, and glassy dynamics, are challenging to model in these systems because they require detailed dynamical information at the individual particle level. Within the granular materials community the Discrete Element Method has been used extensively to model systems of anisotropic particles under gravity, with friction. We report the first implementation of DEM MD intended for thermodynamic nanoscale simulation. Our method is implemented in parallel on the GPU within the HOOMD-Blue framework. By decomposing the force calculation into its components, this implementation can take advantage of massive data parallelism, enabling optimal use of the GPU for even relatively small systems while achieving a speedup of 60 times over a single CPU core. This method is a natural extension of classical molecular dynamics into the realm of faceted particles, and allows simulation of disparate size scales ranging from the nanoscale to granular particulates, all within the same framework.

  3. Dynamics of the young binary LMC cluster NGC 1850

    Science.gov (United States)

    Fischer, Philippe; Welch, Douglas L.; Mateo, Mario

    1993-01-01

    BV CCD images and echelle spectra of 52 supergiants are used to examine the age and internal dynamics of the young binary LMC cluster NGC 1850. A color-magnitude diagram was constructed and found to contain three distinct populations of stars. Using star-subtracted, median filtered BV images, attempts were made to determine ellipticity parameters, BV luminosity profiles were constructed to project radii greater than 40. A power law model was applied to test for the presence of a tidal cutoff in the luminosity profile. Of the 52 stars with echelle spectra, a subset of 36 were used to study the cluster dynamics. A rotational signal in the radial velocities has been detected at the 93-percent confidence level, implying a rotation axis at a position angle of 100 +/- 40 deg. Values for the slope of the mass function were determined using mass luminosity relationships and different forms for the IMF. The current cluster age is similar to its central relaxation time.

  4. A mathematical programming approach for sequential clustering of dynamic networks

    Science.gov (United States)

    Silva, Jonathan C.; Bennett, Laura; Papageorgiou, Lazaros G.; Tsoka, Sophia

    2016-02-01

    A common analysis performed on dynamic networks is community structure detection, a challenging problem that aims to track the temporal evolution of network modules. An emerging area in this field is evolutionary clustering, where the community structure of a network snapshot is identified by taking into account both its current state as well as previous time points. Based on this concept, we have developed a mixed integer non-linear programming (MINLP) model, SeqMod, that sequentially clusters each snapshot of a dynamic network. The modularity metric is used to determine the quality of community structure of the current snapshot and the historical cost is accounted for by optimising the number of node pairs co-clustered at the previous time point that remain so in the current snapshot partition. Our method is tested on social networks of interactions among high school students, college students and members of the Brazilian Congress. We show that, for an adequate parameter setting, our algorithm detects the classes that these students belong more accurately than partitioning each time step individually or by partitioning the aggregated snapshots. Our method also detects drastic discontinuities in interaction patterns across network snapshots. Finally, we present comparative results with similar community detection methods for time-dependent networks from the literature. Overall, we illustrate the applicability of mathematical programming as a flexible, adaptable and systematic approach for these community detection problems. Contribution to the Topical Issue "Temporal Network Theory and Applications", edited by Petter Holme.

  5. Exploring Sources of Gravitational Waves From Star Cluster Dynamics

    Science.gov (United States)

    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.

  6. Vegetation patchiness: Pareto statistics, cluster dynamics and desertification.

    Science.gov (United States)

    Shnerb, N. M.

    2009-04-01

    Recent studies [1-4] of cluster distribution of vegetation in the dryland revealed Pareto statistics for the size of spatial colonies. These results were supported by cellular automata simulations that yield robust criticality for endogenous pattern formation based on positive feedback. We show that this self-organized criticality is a manifestation of the law of proportion effec: mapping the stochastic model to a Markov birth-death process, the transition rates are shown to scale linearly with cluster size. This mapping provides a connection between patch statistics and the dynamics of the ecosystem; the "first passage time" for different colonies emerges as a powerful tool that discriminates between endogenous and exogenous clustering mechanisms. Imminent catastrophic shifts (like desertification) manifest themselves in a drastic change of the stability properties of spatial colonies, as the chance of a cluster to disappear depends logarithmically, rather than linearly, on its size. [1] Scanlon et. al., Nature 449, 209212 [2007]. [2] Kefi et. al., Nature 449, 213217 [2007]. [3] Sole R., Nature 449, p. 151 [2007]. [4] Vandermeer et. al., Nature 451, p. 457 [2008].

  7. IoT Service Clustering for Dynamic Service Matchmaking.

    Science.gov (United States)

    Zhao, Shuai; Yu, Le; Cheng, Bo; Chen, Junliang

    2017-07-27

    As the adoption of service-oriented paradigms in the IoT (Internet of Things) environment, real-world devices will open their capabilities through service interfaces, which enable other functional entities to interact with them. In an IoT application, it is indispensable to find suitable services for satisfying users' requirements or replacing the unavailable services. However, from the perspective of performance, it is inappropriate to find desired services from the service repository online directly. Instead, clustering services offline according to their similarity and matchmaking or discovering service online in limited clusters is necessary. This paper proposes a multidimensional model-based approach to measure the similarity between IoT services. Then, density-peaks-based clustering is employed to gather similar services together according to the result of similarity measurement. Based on the service clustering, the algorithms of dynamic service matchmaking, discovery, and replacement will be performed efficiently. Evaluating experiments are conducted to validate the performance of proposed approaches, and the results are promising.

  8. Fragmentation dynamics of complex molecules and their clusters

    Science.gov (United States)

    Maclot, S.; Capron, M.; Maisonny, R.; Lawicki, A.; Chesnel, J.-Y.; Domaracka, A.; Méry, A.; Poully, J.-C.; Rangama, J.; Holm, A. I. S.; Johansson, H. A. B.; Seitz, F.; Rosen, S.; Schmidt, H.; Zettergren, H.; Rousseau, P.; Cederquist, H.; Huber, B. A.; Adoui, L.

    2013-04-01

    Complex molecular systems such as large molecules or clusters are characterised by a large number of degrees of freedom. Energies well in excess of individual thresholds for fragmentation can be stored for long times and metastable excited states become important. We will concentrate in this paper on the study of the response of such nanoscale systems, i.e. we will study excitation and fragmentation mechanisms induced by highly charged ion radiation, reflecting dynamic energy and charge flow processes. We will illustrate these relaxation processes for different molecular systems from Polycyclic Aromatic Hydrocarbons, water or biomolecule targets and their clusters in collision with multiply charged ions. We will emphasize that slow multiply charged ions provide an efficient way to study the stability of complex systems. Indeed, such ions are known to remove several electrons at large impact parameters resulting in a fast and gentle ionization.

  9. Molecular dynamics simulation of gold cluster growth during sputter deposition

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, J. W., E-mail: abraham@theo-physik.uni-kiel.de; Bonitz, M., E-mail: bonitz@theo-physik.uni-kiel.de [Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, Leibnizstraße 15, D-24098 Kiel (Germany); Strunskus, T.; Faupel, F. [Institut für Materialwissenschaft, Lehrstuhl für Materialverbunde, Christian-Albrechts-Universität zu Kiel, Kaiserstraße 2, D-24143 Kiel (Germany)

    2016-05-14

    We present a molecular dynamics simulation scheme that we apply to study the time evolution of the self-organized growth process of metal cluster assemblies formed by sputter-deposited gold atoms on a planar surface. The simulation model incorporates the characteristics of the plasma-assisted deposition process and allows for an investigation over a wide range of deposition parameters. It is used to obtain data for the cluster properties which can directly be compared with recently published experimental data for gold on polystyrene [M. Schwartzkopf et al., ACS Appl. Mater. Interfaces 7, 13547 (2015)]. While good agreement is found between the two, the simulations additionally provide valuable time-dependent real-space data of the surface morphology, some of whose details are hidden in the reciprocal-space scattering images that were used for the experimental analysis.

  10. Nonuniform Sparse Data Clustering Cascade Algorithm Based on Dynamic Cumulative Entropy

    Directory of Open Access Journals (Sweden)

    Ning Li

    2016-01-01

    Full Text Available A small amount of prior knowledge and randomly chosen initial cluster centers have a direct impact on the accuracy of the performance of iterative clustering algorithm. In this paper we propose a new algorithm to compute initial cluster centers for k-means clustering and the best number of the clusters with little prior knowledge and optimize clustering result. It constructs the Euclidean distance control factor based on aggregation density sparse degree to select the initial cluster center of nonuniform sparse data and obtains initial data clusters by multidimensional diffusion density distribution. Multiobjective clustering approach based on dynamic cumulative entropy is adopted to optimize the initial data clusters and the best number of the clusters. The experimental results show that the newly proposed algorithm has good performance to obtain the initial cluster centers for the k-means algorithm and it effectively improves the clustering accuracy of nonuniform sparse data by about 5%.

  11. Nickel-aluminum alloy clusters -- structural and dynamical properties

    Energy Technology Data Exchange (ETDEWEB)

    Jellinek, J.; Krissinel, E.B. [Argonne National Lab., IL (United States). Chemistry Div.

    1997-08-01

    Structural and dynamical properties of mixed Ni{sub n}Al{sub m} alloy clusters mimicked by a many-body potential are studied computationally for all the possible compositions n and m such that n + m = 13. It is shown that the manifold of the usually very large number of the different possible structural forms can be systematized by introducing classes of structures corresponding to the same concentration of the components, geometry and type of the central atom. General definitions of mixing energy and mixing coefficient are introduced, and it is shown that the energy ordering of the structural forms within each class is governed by the mixing coefficient. The peculiarities of the solid-to-liquid-like transition are described as a function of the concentration of the two types of atoms. These peculiarities are correlated with and explained in terms of the energy spectra of the structural forms. Class-dependent features of the dynamics are described and analyzed.

  12. Visualizing dynamical neural assemblies with a fuzzy synchronization clustering analysis.

    Science.gov (United States)

    Zhou, Shu; Wu, Yan; Dos Santos, Claudia C

    2009-12-01

    Phase synchrony has been proposed as a possible communication mechanism between cerebral regions. The participation index method (PIM) may be used to investigate integrating structures within an oscillatory network, based on the eigenvalue decomposition of matrix of bivariate synchronization indices. However, eigenvector orthogonality between clusters may result in categorization difficulties for hub oscillators and pseudoclustering phenomenon. Here, we propose a method of fuzzy synchronization clustering analysis (FSCA) to avoid the constraint of orthogonality by combining the fuzzy c-means algorithm with the phase-locking value. Following mathematical derivation, we cross-validated the FSCA and the PIM using the same multichannel phase time series of event-related EEG from a subject performing a working memory task. Both clustering methods produced consistent findings for the qualitatively salient configuration of the original network-illustrated here by a visualization technique. In contrast to PIM, use of common virtual oscillatory centroids enabled the FSCA to reveal multiple dynamical neural assemblies as well as the unitary phase information within each assembly.

  13. Dynamic integration of remote cloud resources into local computing clusters

    Energy Technology Data Exchange (ETDEWEB)

    Fleig, Georg; Erli, Guenther; Giffels, Manuel; Hauth, Thomas; Quast, Guenter; Schnepf, Matthias [Institut fuer Experimentelle Kernphysik, Karlsruher Institut fuer Technologie (Germany)

    2016-07-01

    In modern high-energy physics (HEP) experiments enormous amounts of data are analyzed and simulated. Traditionally dedicated HEP computing centers are built or extended to meet this steadily increasing demand for computing resources. Nowadays it is more reasonable and more flexible to utilize computing power at remote data centers providing regular cloud services to users as they can be operated in a more efficient manner. This approach uses virtualization and allows the HEP community to run virtual machines containing a dedicated operating system and transparent access to the required software stack on almost any cloud site. The dynamic management of virtual machines depending on the demand for computing power is essential for cost efficient operation and sharing of resources with other communities. For this purpose the EKP developed the on-demand cloud manager ROCED for dynamic instantiation and integration of virtualized worker nodes into the institute's computing cluster. This contribution will report on the concept of our cloud manager and the implementation utilizing a remote OpenStack cloud site and a shared HPC center (bwForCluster located in Freiburg).

  14. Photon states in anisotropic media

    Indian Academy of Sciences (India)

    Abstract. Quantum aspects of optical polarization are discussed for waves traveling in anisotropic dielectric media with a view to relate the dynamics of polarization with that of photon spin and its manipulation by classical polarizers.

  15. Estimation of anisotropic permeability in trabecular bone based on microCT imaging and pore-scale fluid dynamics simulations.

    Science.gov (United States)

    Daish, C; Blanchard, R; Gulati, K; Losic, D; Findlay, D; Harvie, D J E; Pivonka, P

    2017-06-01

    In this paper, a comprehensive framework is proposed to estimate the anisotropic permeability matrix in trabecular bone specimens based on micro-computed tomography (microCT) imaging combined with pore-scale fluid dynamics simulations. Two essential steps in the proposed methodology are the selection of (i) a representative volume element (RVE) for calculation of trabecular bone permeability and (ii) a converged mesh for accurate calculation of pore fluid flow properties. Accurate estimates of trabecular bone porosities are obtained using a microCT image resolution of approximately 10 μm. We show that a trabecular bone RVE in the order of 2 × 2 × 2 mm 3 is most suitable. Mesh convergence studies show that accurate fluid flow properties are obtained for a mesh size above 125,000 elements. Volume averaging of the pore-scale fluid flow properties allows calculation of the apparent permeability matrix of trabecular bone specimens. For the four specimens chosen, our numerical results show that the so obtained permeability coefficients are in excellent agreement with previously reported experimental data for both human and bovine trabecular bone samples. We also identified that bone samples taken from long bones generally exhibit a larger permeability in the longitudinal direction. The fact that all coefficients of the permeability matrix were different from zero indicates that bone samples are generally not harvested in the principal flow directions. The full permeability matrix was diagonalized by calculating the eigenvalues, while the eigenvectors showed how strongly the bone sample's orientations deviated from the principal flow directions. Porosity values of the four bone specimens range from 0.83 to 0.86, with a low standard deviation of ± 0.016, principal permeability values range from 0.22 to 1.45 ⋅ 10  -8  m 2 , with a high standard deviation of ± 0.33. Also, the anisotropic ratio ranged from 0.27 to 0.83, with high standard deviation. These

  16. Catching Galactic open clusters in advanced stages of dynamical evolution

    Science.gov (United States)

    Angelo, M. S.; Piatti, A. E.; Dias, W. S.; Maia, F. F. S.

    2018-04-01

    During their dynamical evolution, Galactic open clusters (OCs) gradually lose their stellar content mainly because of internal relaxation and tidal forces. In this context, the study of dynamically evolved OCs is necessary to properly understand such processes. We present a comprehensive Washington CT1 photometric analysis of six sparse OCs, namely: ESO 518-3, Ruprecht 121, ESO 134-12, NGC 6573, ESO 260-7 and ESO 065-7. We employed Markov chain Monte-Carlo simulations to robustly determine the central coordinates and the structural parameters and T1 × (C - T1) colour-magnitude diagrams (CMDs) cleaned from field contamination were used to derive the fundamental parameters. ESO 518-03, Ruprecht 121, ESO 134-12 and NGC 6573 resulted to be of nearly the same young age (8.2 ≤log(t yr-1) ≤ 8.3); ESO 260-7 and ESO065-7 are of intermediate age (9.2 ≤log(t yr-1) ≤ 9.4). All studied OCs are located at similar Galactocentric distances (RG ˜ 6 - 6.9 kpc), considering uncertainties, except for ESO 260-7 (RG = 8.9 kpc). These OCs are in a tidally filled regime and are dynamically evolved, since they are much older than their half-mass relaxation times (t/trh ≳ 30) and present signals of low-mass star depletion. We distinguished two groups: those dynamically evolving towards final disruptions and those in an advanced dynamical evolutionary stage. Although we do not rule out that the Milky Way potential could have made differentially faster their dynamical evolutions, we speculate here with the possibility that they have been mainly driven by initial formation conditions.

  17. A Dynamic/Anisotropic Low Earth Orbit (LEO) Ionizing Radiation Model

    Science.gov (United States)

    Badavi, Francis F.; West, Katie J.; Nealy, John E.; Wilson, John W.; Abrahms, Briana L.; Luetke, Nathan J.

    2006-01-01

    The International Space Station (ISS) provides the proving ground for future long duration human activities in space. Ionizing radiation measurements in ISS form the ideal tool for the experimental validation of ionizing radiation environmental models, nuclear transport code algorithms, and nuclear reaction cross sections. Indeed, prior measurements on the Space Transportation System (STS; Shuttle) have provided vital information impacting both the environmental models and the nuclear transport code development by requiring dynamic models of the Low Earth Orbit (LEO) environment. Previous studies using Computer Aided Design (CAD) models of the evolving ISS configurations with Thermo Luminescent Detector (TLD) area monitors, demonstrated that computational dosimetry requires environmental models with accurate non-isotropic as well as dynamic behavior, detailed information on rack loading, and an accurate 6 degree of freedom (DOF) description of ISS trajectory and orientation.

  18. Anisotropic relaxation dynamics in a dipolar Fermi gas driven out of equilibrium

    DEFF Research Database (Denmark)

    Aikawa, K.; Frisch, A.; Mark, M.

    2014-01-01

    We report on the observation of a large anisotropy in the rethermalization dynamics of an ultracold dipolar Fermi gas driven out of equilibrium. Our system consists of an ultracold sample of strongly magnetic $^{167}$Er fermions, spin-polarized in the lowest Zeeman sublevel. In this system, elastic...... collisions arise purely from universal dipolar scattering. Based on cross-dimensional rethermalization experiments, we observe a strong anisotropy of the scattering, which manifests itself in a large angular dependence of the thermal relaxation dynamics. Our result is in very good agreement with recent...... theoretical predictions. Furthermore, we measure the rethermalization rate as a function of temperature for different angles and find that the suppression of collisions by Pauli blocking is not influenced by the dipole orientation....

  19. Lattice dynamical appraisal of the anisotropic Debye-Waller factors in graphite lattice

    International Nuclear Information System (INIS)

    Haridasan, T.M.; Sathyamurthy, G.

    1989-12-01

    The Debye-Waller factors in graphite for the atomic motions within the basal plane and also across the basal planes have been calculated using the various lattice dynamical models available to date and a critical comparison is made with the existing experimental data from X ray and neutron scattering studies. The present study reveals the need for further investigation on the nature of atomic motion across the basal planes. (author). 15 refs, 1 tab

  20. Test Particle Energization and the Anisotropic Effects of Dynamical MHD Turbulence

    Science.gov (United States)

    González, C. A.; Dmitruk, P.; Mininni, P. D.; Matthaeus, W. H.

    2017-11-01

    In this paper, we analyze the effect of dynamical three-dimensional magnetohydrodynamic (MHD) turbulence on test particle acceleration and compare how this evolving system affects particle energization by current sheet interaction, as opposed to frozen-in-time fields. To do this, we analyze the ensemble particle acceleration for static electromagnetic fields extracted from direct numerical simulations of the MHD equations, and compare it with the dynamical fields. We show that a reduction in particle acceleration in the dynamical model results from particle trapping in field lines, which forces the particles to be advected by the flow and suppresses long exposures to the strong electric field gradients that take place between structures and generate (among other effects) an efficient particle acceleration in the static case. In addition, we analyze the effect of anisotropy caused by the mean magnetic field. It is well known that for sufficiently strong external fields, the system experiences a transition toward a two-dimensional flow. This causes an increment in the size of the coherent structures, resulting in a magnetized state of the particles and a reduction in particle energization.

  1. Structures and dynamical properties of Cn, Sin, Gen, and Snn clusters with n up to 13

    International Nuclear Information System (INIS)

    Lu, Zhong-Yi; Wang, Cai-Zhuang; Ho, Kai-Ming

    2000-01-01

    Car-Parrinello molecular dynamics simulated annealings were carried out for clusters Si n , Ge n , and Sn n (n≤13). We investigate the temperature regions in which these clusters transform from a ''liquidlike'' phase to a ''solidlike'' phase, and then from the ''solidlike'' phase to the ground-state structures. Additional simulated annealing was also performed for the cluster C 13 which is selected as a prototype of small carbon clusters. In addition to the discovery of structures for Sn and Ge clusters, our simulation results also provide insights into the dynamics of cluster formation. (c) 2000 The American Physical Society

  2. Dissipation and energy balance in electronic dynamics of Na clusters

    Science.gov (United States)

    Vincendon, Marc; Suraud, Eric; Reinhard, Paul-Gerhard

    2017-06-01

    We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT) at the level of Local Density Approximation (LDA) augmented by a self interaction correction term and a quantum collision term in Relaxation-Time Approximation (RTA). We evaluate the separate contributions to the total excitation energy, namely energy exported by electron emission, potential energy due to changing charge state, intrinsic kinetic and potential energy, and collective flow energy. The balance of these energies is studied as function of the laser parameters (frequency, intensity, pulse length) and as function of system size and charge. We also look at collisions with a highly charged ion and here at the dependence on the impact parameter (close versus distant collisions). Dissipation turns out to be small where direct electron emission prevails namely for laser frequencies above any ionization threshold and for slow electron extraction in distant collisions. Dissipation is large for fast collisions and at low laser frequencies, particularly at resonances. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

  3. Functional clustering in hippocampal cultures: relating network structure and dynamics

    International Nuclear Information System (INIS)

    Feldt, S; Dzakpasu, R; Olariu, E; Żochowski, M; Wang, J X; Shtrahman, E

    2010-01-01

    In this work we investigate the relationship between gross anatomic structural network properties, neuronal dynamics and the resultant functional structure in dissociated rat hippocampal cultures. Specifically, we studied cultures as they developed under two conditions: the first supporting glial cell growth (high glial group), and the second one inhibiting it (low glial group). We then compared structural network properties and the spatio-temporal activity patterns of the neurons. Differences in dynamics between the two groups could be linked to the impact of the glial network on the neuronal network as the cultures developed. We also implemented a recently developed algorithm called the functional clustering algorithm (FCA) to obtain the resulting functional network structure. We show that this new algorithm is useful for capturing changes in functional network structure as the networks evolve over time. The FCA detects changes in functional structure that are consistent with expected dynamical differences due to the impact of the glial network. Cultures in the high glial group show an increase in global synchronization as the cultures age, while those in the low glial group remain locally synchronized. We additionally use the FCA to quantify the amount of synchronization present in the cultures and show that the total level of synchronization in the high glial group is stronger than in the low glial group. These results indicate an interdependence between the glial and neuronal networks present in dissociated cultures

  4. Anisotropic stokes drag and dynamic lift on cylindrical colloids in a nematic liquid crystal.

    Science.gov (United States)

    Rovner, Joel B; Lapointe, Clayton P; Reich, Daniel H; Leheny, Robert L

    2010-11-26

    We have measured the Stokes drag on magnetic nanowires suspended in the nematic liquid crystal 4-cyano-4'-pentylbiphenyl (5CB). The effective drag viscosity for wires moving perpendicular to the nematic director differs from that for motion parallel to the director by factors of 0.88 to 2.4, depending on the orientation of the wires and their surface anchoring. When the force on the wires is applied at an oblique angle to the director, the wires move at an angle to the force, demonstrating the existence of a lift force on particles moving in a nematic. This dynamic lift is significantly larger for wires with homeotropic anchoring than with longitudinal anchoring in the experiments, suggesting the lift force as a mechanism for sorting particles according to their surface properties.

  5. Dynamic configuration of the CMS Data Acquisition cluster

    CERN Document Server

    Bauer, Gerry; Biery, Kurt; Boyer, Vincent; Branson, James; Cano, Eric; Cheung, Harry; Ciganek, Marek; Cittolin, Sergio; Coarasa, Jose Antonio; Deldicque, Christian; Dusinberre, Elizabeth; Erhan, Samim; Fortes Rodrigues, Fabiana; Gigi, Dominique; Glege, Frank; Gomez-Reino, Robert; Gutleber, Johannes; Hatton, Derek; Laurens, Jean-Francois; Lopez Perez, Juan Antonio; Meijers, Frans; Meschi, Emilio; Meyer, Andreas; Mommsen, Remigius K; Moser, Roland; O'Dell, Vivian; Oh, Alexander; Orsini, Luciano; Patras, Vaios; Paus, Christoph; Petrucci, Andrea; Pieri, Marco; Racz, Attila; Sakulin, Hannes; Sani, Matteo; Schieferdecker, Philipp; Schwick, Christoph; Shpakov, Dennis; Simon, Sean; Sumorok, Konstanty; Zanetti, Marco

    2010-01-01

    The CMS Data Acquisition cluster, which runs around 10000 applications, is configured dynamically at run time. XML configuration documents determine what applications are executed on each node and over what networks these applications communicate. Through this mechanism the DAQ System may be adapted to the required performance, partitioned in order to perform (test-) runs in parallel, or re-structured in case of hardware faults. This paper presents the CMS DAQ Configurator tool, which is used to generate comprehensive configurations of the CMS DAQ system based on a high-level description given by the user. Using a database of configuration templates and a database containing a detailed model of hardware modules, data and control links, nodes and the network topology, the tool automatically determines which applications are needed, on which nodes they should run, and over which networks the event traffic will flow. The tool computes application parameters and generates the XML configuration documents as well a...

  6. Communication: Diverse nanoscale cluster dynamics: Diffusion of 2D epitaxial clusters

    Science.gov (United States)

    Lai, King C.; Evans, James W.; Liu, Da-Jiang

    2017-11-01

    The dynamics of nanoscale clusters can be distinct from macroscale behavior described by continuum formalisms. For diffusion of 2D clusters of N atoms in homoepitaxial systems mediated by edge atom hopping, macroscale theory predicts simple monotonic size scaling of the diffusion coefficient, DN ˜ N-β, with β = 3/2. However, modeling for nanoclusters on metal(100) surfaces reveals that slow nucleation-mediated diffusion displaying weak size scaling β < 1 occurs for "perfect" sizes Np = L2 and L(L+1) for integer L = 3,4,… (with unique square or near-square ground state shapes), and also for Np+3, Np+4,…. In contrast, fast facile nucleation-free diffusion displaying strong size scaling β ≈ 2.5 occurs for sizes Np+1 and Np+2. DN versus N oscillates strongly between the slowest branch (for Np+3) and the fastest branch (for Np+1). All branches merge for N = O(102), but macroscale behavior is only achieved for much larger N = O(103). This analysis reveals the unprecedented diversity of behavior on the nanoscale.

  7. Breakdown of Spin-Waves in Anisotropic Magnets: Spin Dynamics in α-RuCl3

    Science.gov (United States)

    Winter, Stephen; Riedl, Kira; Honecker, Andreas; Valenti, Roser

    α -RuCl3 has recently emerged as a promising candidate for realizing the hexagonal Kitaev model in a real material. Similar to the related iridates (e.g. Na2IrO3), complex magnetic interactions arise from a competition between various similar energy scales, including spin-orbit coupling (SOC), Hund's coupling, and crystal-field splitting. Due to this complexity, the correct spin Hamiltonians for such systems remain hotly debated. For α-RuCl3, a combination of ab-initio calculations, microscopic considerations, and analysis of the static magnetic response have suggested off-diagonal couplings (Γ ,Γ') and long-range interactions in addition to the expected Kitaev exchange. However, the effect of such additional terms on the dynamic response remains unclear. In this contribution, we discuss the recently measured inelastic neutron scattering response in the context of realistic proposals for the microscopic spin Hamiltonian. We conclude that the observed scattering continuum, which has been taken as a signature of Kitaev spin liquid physics, likely persists over a broad range of parameters.

  8. Droplet impact dynamics for two liquids impinging on anisotropic superhydrophobic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, John T.; Maynes, Daniel; Webb, Brent W. [Brigham Young University, Department of Mechanical Engineering, Provo, UT (United States)

    2012-09-15

    Droplet impingement experiments were performed on grooved hydrophobic surfaces with cavity fractions of 0, 80, and 93 % using droplets of water and a 50 %/50 % water/glycerol mixture. The influence of liquid viscosity, cavity fraction, and spreading direction, relative to the surface grooves, is explored qualitatively and quantitatively. The maximum droplet spread diameter, velocity of the rebounding jet, and the time delay between droplet impact and jet emission were characterized for Weber numbers, We, based on droplet impact speed and diameter, up to 500. The unequal shear stresses and contact angles influence the maximum spread diameters in the two primary spread directions. At We>100, the ratio of the spread diameter along the direction of the grooves to the spread diameter perpendicular to the grooves increases above unity with increasing We. The maximum droplet spread diameter is compared to recent predictive models, and the data reveal differing behavior for the two fluids considered. The results also reveal the existence of very high relative jet velocities in the range 5{<=}We{<=} 15 for water droplets, while such jets were not observed for the more viscous mixture. Further, in the range 115{<=}We{<=}265, the water/glycerol jet formation dynamics are radically different from the water behavior. Most evident is the existence of two-pronged jets, which arise from the anisotropy of the surface and the unequal shear stresses and contact angles that prevail on the surfaces. It is these influences that give rise to differences in the maximum spread diameters in the two primary spread directions. Similar two-pronged jet emission was observed for water over the very narrow range of We from 91 to 96. The issuing jet velocities were also observed to increase with increasing cavity fraction for both fluids and over the entire range of We explored. Lastly, the elapsed time between droplet impact and jet emission decreased with increasing cavity fraction. (orig.)

  9. Gyration-radius dynamics in structural transitions of atomic clusters

    Science.gov (United States)

    Yanao, Tomohiro; Koon, Wang S.; Marsden, Jerrold E.; Kevrekidis, Ioannis G.

    2007-03-01

    This paper is concerned with the structural transition dynamics of the six-atom Morse cluster with zero total angular momentum, which serves as an illustrative example of the general reaction dynamics of isolated polyatomic molecules. It develops a methodology that highlights the interplay between the effects of the potential energy topography and those of the intrinsic geometry of the molecular internal space. The method focuses on the dynamics of three coarse variables, the molecular gyration radii. By using the framework of geometric mechanics and hyperspherical coordinates, the internal motions of a molecule are described in terms of these three gyration radii and hyperangular modes. The gyration radii serve as slow collective variables, while the remaining hyperangular modes serve as rapidly oscillating "bath" modes. Internal equations of motion reveal that the gyration radii are subject to two different kinds of forces: One is the ordinary force that originates from the potential energy function of the system, while the other is an internal centrifugal force. The latter originates from the dynamical coupling of the gyration radii with the hyperangular modes. The effects of these two forces often counteract each other: The potential force generally works to keep the internal mass distribution of the system compact and symmetric, while the internal centrifugal force works to inflate and elongate it. Averaged fields of these two forces are calculated numerically along a reaction path for the structural transition of the molecule in the three-dimensional space of gyration radii. By integrating the sum of these two force fields along the reaction path, an effective energy curve is deduced, which quantifies the gross work necessary for the system to change its mass distribution along the reaction path. This effective energy curve elucidates the energy-dependent switching of the structural preference between symmetric and asymmetric conformations. The present

  10. Cluster dynamics modelling of materials: A new hybrid deterministic/stochastic coupling approach

    Science.gov (United States)

    Terrier, Pierre; Athènes, Manuel; Jourdan, Thomas; Adjanor, Gilles; Stoltz, Gabriel

    2017-12-01

    Deterministic simulations of the rate equations governing cluster dynamics in materials are limited by the number of equations to integrate. Stochastic simulations are limited by the high frequency of certain events. We propose a coupling method combining deterministic and stochastic approaches. It allows handling different time scale phenomena for cluster dynamics. This method, based on a splitting of the dynamics, is generic and we highlight two different hybrid deterministic/stochastic methods. These coupling schemes are highly parallelizable and specifically designed to treat large size cluster problems. The proof of concept is made on a simple model of vacancy clustering under thermal ageing.

  11. Clustering Timber Harvests and the Effects of Dynamic Forest Management Policy on Forest Fragmentation

    Science.gov (United States)

    Eric J. Gustafson

    1998-01-01

    To integrate multiple uses (mature forest and commodity production) better on forested lands, timber management strategies that cluster harvests have been proposed. One such approach clusters harvest activity in space and time, and rotates timber production zones across the landscape with a long temporal period (dynamic zoning). Dynamic zoning has...

  12. Unconventional planetary orbits and dynamical interactions in stellar clusters

    Science.gov (United States)

    de la Fuente Marcos, R.; de la Fuente Marcos, C.

    In the last few years the search for planets around main sequence stars other than the Sun has experienced rapid progress but, far from clarifying our knowledge in the field of planet formation, the newly discovered planets have given rise to new uncertainties about our current paradigm for planetary system formation because none of them resemble our own solar system very closely. The unconventional properties of the confirmed extrasolar giant-planets include very small semi-major axes (0.04-0.05 AU) and highly eccentric (0.3-0.7) orbits. We show that some of the unusual features observed in extrasolar planetary systems, which can not be explained by the standard theories, may be a by-product of dynamical interactions between planetary systems and stars in clusters. In this research, the orbital modification problem is studied through the direct numerical integration of entire medium-rich open clusters (N = 1000) with the code NBODY5 (Aarseth 1985). For simplicity, the planetary systems studied in this work consist of only one giant planet and its host star. Our models also include a modern IMF, stellar evolution, and realistic values for the primordial binary fraction. The modification of the primordial orbital elements of planetary systems would be produced through formation of temporarily stable hierarchical systems. On the other hand, unstable configurations can eject one or more planets frm the system. In addition, physical collisions between stars and planets with very small semi-major axes and eccentric orbits may result in atypical stellar metallicities.

  13. Parallel Genetic Algorithms with Dynamic Topology using Cluster Computing

    Directory of Open Access Journals (Sweden)

    ADAR, N.

    2016-08-01

    Full Text Available A parallel genetic algorithm (PGA conducts a distributed meta-heuristic search by employing genetic algorithms on more than one subpopulation simultaneously. PGAs migrate a number of individuals between subpopulations over generations. The layout that facilitates the interactions of the subpopulations is called the topology. Static migration topologies have been widely incorporated into PGAs. In this article, a PGA with a dynamic migration topology (D-PGA is proposed. D-PGA generates a new migration topology in every epoch based on the average fitness values of the subpopulations. The D-PGA has been tested against ring and fully connected migration topologies in a Beowulf Cluster. The D-PGA has outperformed the ring migration topology with comparable communication cost and has provided competitive or better results than a fully connected migration topology with significantly lower communication cost. PGA convergence behaviors have been analyzed in terms of the diversities within and between subpopulations. Conventional diversity can be considered as the diversity within a subpopulation. A new concept of permeability has been introduced to measure the diversity between subpopulations. It is shown that the success of the proposed D-PGA can be attributed to maintaining a high level of permeability while preserving diversity within subpopulations.

  14. Material Induced Anisotropic Damage

    NARCIS (Netherlands)

    Niazi, Muhammad Sohail; Wisselink, H.H.; Meinders, Vincent T.; van den Boogaard, Antonius H.; Hora, P.

    2012-01-01

    The anisotropy in damage can be driven by two different phenomena; anisotropic defor-mation state named Load Induced Anisotropic Damage (LIAD) and anisotropic (shape and/or distribution) second phase particles named Material Induced Anisotropic Damage (MIAD). Most anisotropic damage models are based

  15. Cluster fusion-fission dynamics in the Singapore stock exchange

    Science.gov (United States)

    Teh, Boon Kin; Cheong, Siew Ann

    2015-10-01

    In this paper, we investigate how the cross-correlations between stocks in the Singapore stock exchange (SGX) evolve over 2008 and 2009 within overlapping one-month time windows. In particular, we examine how these cross-correlations change before, during, and after the Sep-Oct 2008 Lehman Brothers Crisis. To do this, we extend the complete-linkage hierarchical clustering algorithm, to obtain robust clusters of stocks with stronger intracluster correlations, and weaker intercluster correlations. After we identify the robust clusters in all time windows, we visualize how these change in the form of a fusion-fission diagram. Such a diagram depicts graphically how the cluster sizes evolve, the exchange of stocks between clusters, as well as how strongly the clusters mix. From the fusion-fission diagram, we see a giant cluster growing and disintegrating in the SGX, up till the Lehman Brothers Crisis in September 2008 and the market crashes of October 2008. After the Lehman Brothers Crisis, clusters in the SGX remain small for few months before giant clusters emerge once again. In the aftermath of the crisis, we also find strong mixing of component stocks between clusters. As a result, the correlation between initially strongly-correlated pairs of stocks decay exponentially with average life time of about a month. These observations impact strongly how portfolios and trading strategies should be formulated.

  16. The dynamics of cavity clusters in ultrasonic (vibratory) cavitation erosion

    DEFF Research Database (Denmark)

    Hansson, I.; Mørch, Knud Aage

    1980-01-01

    The erosion of solids caused by cavitating liquids is a result of the concerted collapse of clusters of cavities. In vibratory cavitation equipment the clusters grow and collapse adjacent to a solid surface and are typically of hemispherical or cylindrical form. In the present paper the collapse...... process of these clusters is described and the collapse equations are developed and solved. The theoretical results are compared with results from high-speed photography of the clusters and with the initial stages of cavitation erosion on metal specimens. Experimental and theoretical results show...... the ambient pressure. Therefore the collapse velocity of the individual cavities increases towards the cluster center, which explains that the erosion, being caused by the individual cavities, occurs predominantly in this region. Likewise, the pressure increase at the cluster boundary explains why materials...

  17. A Dynamic Fuzzy Cluster Algorithm for Time Series

    Directory of Open Access Journals (Sweden)

    Min Ji

    2013-01-01

    clustering time series by introducing the definition of key point and improving FCM algorithm. The proposed algorithm works by determining those time series whose class labels are vague and further partitions them into different clusters over time. The main advantage of this approach compared with other existing algorithms is that the property of some time series belonging to different clusters over time can be partially revealed. Results from simulation-based experiments on geographical data demonstrate the excellent performance and the desired results have been obtained. The proposed algorithm can be applied to solve other clustering problems in data mining.

  18. Dynamic Characteristics Analysis and Stabilization of PV-Based Multiple Microgrid Clusters

    DEFF Research Database (Denmark)

    Zhao, Zhuoli; Yang, Ping; Wang, Yuewu

    2018-01-01

    As the penetration of PV generation increases, there is a growing operational demand on PV systems to participate in microgrid frequency regulation. It is expected that future distribution systems will consist of multiple microgrid clusters. However, interconnecting PV microgrids may lead to system...... interactions and instability. To date, no research work has been done to analyze the dynamic behavior and enhance the stability of microgrid clusters considering the dynamics of the PV primary sources and dc links. To fill this gap, this paper presents comprehensive modeling, analysis, and stabilization of PV......-based multiple microgrid clusters. A detailed small-signal model for PV-based microgrid clusters considering local adaptive dynamic droop control mechanism of the voltage-source PV system is developed. The complete dynamic model is then used to access and compare the dynamic characteristics of the single...

  19. State selective dynamics of molecules, clusters, and nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Keto, John W. [Univ. of Texas, Austin, TX (United States)

    2005-06-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transver between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demostrated that CdSe nanoparticles produced by LAM were efficiient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtiained efficient fluorescence from Er doped phosphate glass nanopartiicles which have application to gain wafeguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO 2.

  20. State selective dynamics of molecules, clusters, and nanostructures

    International Nuclear Information System (INIS)

    John W. Keto

    2005-01-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transfer between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demonstrated that CdSe nanoparticles produced by LAM were efficient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtained efficient fluorescence from Er doped phosphate glass nanoparticles which have application to gain waveguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO2

  1. Effects of the molecular rotational dynamics on dielectric and far-infra-red spectra of anisotropic liquids

    International Nuclear Information System (INIS)

    Nordio, P.L.; Segre, U.

    1981-01-01

    Dielectric and far-infra-red spectra of uniaxial liquid-crystal phase are analysed in terms of correlation functions calculated by a memory function formalism. SAIL (strong anisotropic interaction limit) conditions are always found to apply, resulting in diffusional regime at low working frequencies. Dipole friction has been also included in the calculations to consider many-particle interactions, its effect being analogous to the introduction of slowly relaxing local structures. (author)

  2. Approximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant; Qiongyu, Cheng

    2007-01-01

    of the other agents, which increase exponentially with the number of time steps. We present a method of solving I-DIDs approximately by limiting the number of other agents' candidate models at each time step to a constant. We do this by clustering the models and selecting a representative set from the clusters...

  3. Atomistic interactions of clusters on surfaces using molecular dynamics and hyper molecular dynamics

    International Nuclear Information System (INIS)

    Sanz-Navarro, Carlos F.

    2002-01-01

    The work presented in this thesis describes the results of Molecular Dynamics (MD) simulations applied to the interaction of silver clusters with graphite surfaces and some numerical and theoretical methods concerning the extension of MD simulations to longer time scales (hyper-MD). The first part of this thesis studies the implantation of clusters at normal incidence onto a graphite surface in order to determine the scaling of the penetration depth (PD) against the impact energy. A comparison with experimental results is made with good agreement. The main physical observations of the impact process are described and analysed. It is shown that there is a threshold impact velocity above which the linear dependence on PD on impact energy changes to a linear dependence on velocity. Implantation of silver clusters at oblique incidence is also considered. The second part of this work analyses the validity and feasibility of the three minimisation methods for the hyper-MD simulation method whereby time scales of an MD simulation can be extended. A correct mathematical basis for the iterative method is derived. It is found that one of the iterative methods, upon which hyper-lD is based, is very likely to fail in high-dimensional situations because it requires a too expensive convergence. Two new approximations to the hyper-MD approach are proposed, which reduce the computational effort considerably. Both approaches, although not exact, can help to search for some of the most likely transitions in the system. Some examples are given to illustrate this. (author)

  4. Ab Initio Molecular Dynamics Studies of Pb m Sb n ( m + n ≤ 9) Alloy Clusters

    Science.gov (United States)

    Song, Bingyi; Xu, Baoqiang; Yang, Bin; Jiang, Wenlong; Chen, Xiumin; Xu, Na; Liu, Dachun; Dai, Yongnian

    2017-10-01

    Structure, stability, and dynamics of Pb m Sb n ( m + n ≤ 9) clusters were investigated using ab initio molecular dynamics. Size dependence of binding energies, the second-order energy difference of clusters, dissociation energy, HOMO-LUMO gaps, Mayer bond order, and the diffusion coefficient of Pb m Sb n clusters were discussed. Results suggest that Pb3Sb2, Pb4Sb2, and Pb5Sb4 ( n = 2 or 4) clusters have higher stability than other clusters, which is consistent with previous findings. In case of Pb-Sb alloy, the dynamics results show that Pb4Sb2 (Pb-22.71 wt pct Sb) can exist in gas phase at 1073 K (800 °C), which reasonably explains the azeotropic phenomenon, and the calculated values are in agreement with the experimental results (Pb-22 wt pct Sb).

  5. Transition from monomeric phase to dynamic cluster phase in lysozyme protein solutions

    Science.gov (United States)

    Liu, Yun; Falus, Peter; Porcar, Lionel; Fratini, Emiliano; Chen, Wei-Ren; Faraone, Antonio; Hong, Kunlun; Baglioni, Piero

    2013-03-01

    Intermediate range order (IRO) has been recently observed in lysozyme solution that is caused by a combination of a short-range attraction and long-range repulsion. At very high concentration, there is observed cluster formation in lysozyme solutions that is one type of IRO structures. Here, we investigate the temperature effect on the dynamic cluster formation and identify the transition concentration from a monomeric protein phase to a cluster phase. The normalized short-time self-diffusion coefficient is not affected by changing attraction strength at the concentration of about 10% mass fraction, indicating that the system is still dominated by monomeric protein phase. However, at high concentrations, the average self-diffusion coefficient is sensitive to the change of short-range attraction strength, which is interpreted due to the growth of the size of dynamic clusters in solution. The transition concentration from dominating monomeric phase to dynamic cluster phase is estimated to be around 14 % mass fraction.

  6. One- and two-cluster synchronized dynamics of non-diffusively coupled Tchebycheff map networks

    International Nuclear Information System (INIS)

    Schäfer, Mirko; Greiner, Martin

    2012-01-01

    We use the master stability formalism to discuss one- and two-cluster synchronization of coupled Tchebycheff map networks. For diffusively coupled map systems, the one-cluster synchronized dynamics is given by the behaviour of the individual maps, and the coupling only determines the stability of the coherent state. For the case of non-diffusive coupling and for two-cluster synchronization, the synchronized dynamics on networks is different from the behaviour of the single individual map. Depending on the coupling, we study numerically the characteristics of various forms of the resulting synchronized dynamics. The stability properties of the respective one-cluster synchronized states are discussed for arbitrary network structures. For the case of two-cluster synchronization on bipartite networks we also present analytical expressions for fixed points and zig-zag patterns, and explicitly determine the linear stability of these orbits for the special case of ring-networks.

  7. Anisotropic hydrodynamics: Motivation and methodology

    Energy Technology Data Exchange (ETDEWEB)

    Strickland, Michael

    2014-06-15

    In this proceedings contribution I review recent progress in our understanding of the bulk dynamics of relativistic systems that possess potentially large local rest frame momentum-space anisotropies. In order to deal with these momentum-space anisotropies, a reorganization of relativistic viscous hydrodynamics can be made around an anisotropic background, and the resulting dynamical framework has been dubbed “anisotropic hydrodynamics”. I also discuss expectations for the degree of momentum-space anisotropy of the quark–gluon plasma generated in relativistic heavy ion collisions at RHIC and LHC from second-order viscous hydrodynamics, strong-coupling approaches, and weak-coupling approaches.

  8. GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential.

    Science.gov (United States)

    Chen, Wenduo; Zhu, Youliang; Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

    2016-01-01

    Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures.

  9. Ckmeans.1d.dp: Optimal k-means Clustering in One Dimension by Dynamic Programming.

    Science.gov (United States)

    Wang, Haizhou; Song, Mingzhou

    2011-12-01

    The heuristic k -means algorithm, widely used for cluster analysis, does not guarantee optimality. We developed a dynamic programming algorithm for optimal one-dimensional clustering. The algorithm is implemented as an R package called Ckmeans.1d.dp . We demonstrate its advantage in optimality and runtime over the standard iterative k -means algorithm.

  10. An adaptive immune optimization algorithm with dynamic lattice searching operation for fast optimization of atomic clusters

    International Nuclear Information System (INIS)

    Wu, Xia; Wu, Genhua

    2014-01-01

    Highlights: • A high efficient method for optimization of atomic clusters is developed. • Its performance is studied by optimizing Lennard-Jones clusters and Ag clusters. • The method is proved to be quite efficient. • A new Ag 61 cluster with stacking-fault face-centered cubic motif is found. - Abstract: Geometrical optimization of atomic clusters is performed by a development of adaptive immune optimization algorithm (AIOA) with dynamic lattice searching (DLS) operation (AIOA-DLS method). By a cycle of construction and searching of the dynamic lattice (DL), DLS algorithm rapidly makes the clusters more regular and greatly reduces the potential energy. DLS can thus be used as an operation acting on the new individuals after mutation operation in AIOA to improve the performance of the AIOA. The AIOA-DLS method combines the merit of evolutionary algorithm and idea of dynamic lattice. The performance of the proposed method is investigated in the optimization of Lennard-Jones clusters within 250 atoms and silver clusters described by many-body Gupta potential within 150 atoms. Results reported in the literature are reproduced, and the motif of Ag 61 cluster is found to be stacking-fault face-centered cubic, whose energy is lower than that of previously obtained icosahedron

  11. An adaptive immune optimization algorithm with dynamic lattice searching operation for fast optimization of atomic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xia, E-mail: xiawu@mail.nankai.edu.cn; Wu, Genhua

    2014-08-31

    Highlights: • A high efficient method for optimization of atomic clusters is developed. • Its performance is studied by optimizing Lennard-Jones clusters and Ag clusters. • The method is proved to be quite efficient. • A new Ag{sub 61} cluster with stacking-fault face-centered cubic motif is found. - Abstract: Geometrical optimization of atomic clusters is performed by a development of adaptive immune optimization algorithm (AIOA) with dynamic lattice searching (DLS) operation (AIOA-DLS method). By a cycle of construction and searching of the dynamic lattice (DL), DLS algorithm rapidly makes the clusters more regular and greatly reduces the potential energy. DLS can thus be used as an operation acting on the new individuals after mutation operation in AIOA to improve the performance of the AIOA. The AIOA-DLS method combines the merit of evolutionary algorithm and idea of dynamic lattice. The performance of the proposed method is investigated in the optimization of Lennard-Jones clusters within 250 atoms and silver clusters described by many-body Gupta potential within 150 atoms. Results reported in the literature are reproduced, and the motif of Ag{sub 61} cluster is found to be stacking-fault face-centered cubic, whose energy is lower than that of previously obtained icosahedron.

  12. MASSIVE CLUSTERS IN THE INNER REGIONS OF NGC 1365: CLUSTER FORMATION AND GAS DYNAMICS IN GALACTIC BARS

    International Nuclear Information System (INIS)

    Elmegreen, Bruce G.; Galliano, Emmanuel; Alloin, Danielle

    2009-01-01

    Cluster formation and gas dynamics in the central regions of barred galaxies are not well understood. This paper reviews the environment of three 10 7 M sun clusters near the inner Lindblad resonance (ILR) of the barred spiral NGC 1365. The morphology, mass, and flow of H I and CO gas in the spiral and barred regions are examined for evidence of the location and mechanism of cluster formation. The accretion rate is compared with the star formation rate to infer the lifetime of the starburst. The gas appears to move from inside corotation in the spiral region to looping filaments in the interbar region at a rate of ∼6 M sun yr -1 before impacting the bar dustlane somewhere along its length. The gas in this dustlane moves inward, growing in flux as a result of the accretion to ∼40 M sun yr -1 near the ILR. This inner rate exceeds the current nuclear star formation rate by a factor of 4, suggesting continued buildup of nuclear mass for another ∼0.5 Gyr. The bar may be only 1-2 Gyr old. Extrapolating the bar flow back in time, we infer that the clusters formed in the bar dustlane outside the central dust ring at a position where an interbar filament currently impacts the lane. The ram pressure from this impact is comparable to the pressure in the bar dustlane, and both are comparable to the pressure in the massive clusters. Impact triggering is suggested. The isothermal assumption in numerical simulations seems inappropriate for the rarefaction parts of spiral and bar gas flows. The clusters have enough lower-mass counterparts to suggest they are part of a normal power-law mass distribution. Gas trapping in the most massive clusters could explain their [Ne II] emission, which is not evident from the lower-mass clusters nearby.

  13. Dynamics of a nanometer-sized uranyl cluster in solution

    International Nuclear Information System (INIS)

    Johnson, Rene L.; Ohlin, C. Andre; Pellegrini, Kristi; Burns, Peter C.; Casey, William H.

    2013-01-01

    A class of uranyl peroxide clusters was discovered before as nanometer-sized ions that form spontaneously in aqueous solutions. The uranyl(VI) cluster investigated here is approximately 2 nm in diameter, contains 24 uranyl moieties, and 12 pyrophosphate units. NMR spectroscopy shows that the ion has two distinct forms that interconvert in milliseconds to seconds depending on the temperature and the size of the counterions. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Generation of clusters in complex dynamical networks via pinning control

    International Nuclear Information System (INIS)

    Li Kezan; Fu Xinchu; Small, Michael

    2008-01-01

    Many real-world networks show community structure, i.e., groups (or clusters) of nodes that have a high density of links within them but with a lower density of links between them. In this paper, by applying feedback injections to a fraction of network nodes, various clusters are synchronized independently according to the community structure generated by the group partition of the network (cluster synchronization). This control is achieved by pinning (i.e. applying linear feedback control) to a subset of the network nodes. Those pinned nodes are selected not randomly but according to the topological structure of communities of a given network. Specifically, for a given group partition of a network, those nodes with direct connections between groups must be pinned in order to achieve cluster synchronization. Both the local stability and global stability of cluster synchronization are investigated. Taking the tree-shaped network and the most modular network as two particular examples, we illustrate in detail how the pinning strategy influences the generation of clusters. The simulations verify the efficiency of the pinning schemes used in this paper

  15. Dynamics and stability of charged clusters and droplets

    International Nuclear Information System (INIS)

    Manil, B.; Lebius, H.; Chandezon, F.; Huber, B.A.; Duft, D.; Leisner, T.; Guet, C.

    2002-01-01

    Lord Raleigh predicted (Phil. Mag. 14, 184(1982) ) that a charged, incompressible liquid droplet becomes unstable as soon as the cohesive forces, which create the surface tension and which try to keep the droplet in its spherical form, are equal to the Coulomb forces, which try to destabilise it. This means that that the Coulomb energy E c corresponds to twice the surface energy E s . The ratio X = E c / 2 E s (feasibility), thus characterising the Raleigh limit by X = 1. In order to test its validity, metal clusters were ionized in collisions with highly charged ions, allowing for the first time to prepare charged systems with a feasibility greater than 1. Multiply charged sodium clusters were produced through collisions of Ar 11+ or Xe 28+ with neutral sodium clusters. It was observed, with increasing cluster charge and consequently cluster size the detected system indeed approach the Raleigh limit (for q = 10 X = 0.85). However, it was not reached due to the initial cluster temperature and the energy transfer in the collision. Subsequent, the stability and the explosion of highly charge microdroplets which were injected into a Paul trap levitator were studied, specifically, glycol was irradiated with a HeNe laser. It was observed that a resonance phenomena appeared just before each explosion. As the resonance is linked to X ∼ 1, this is the first proof that the Coulomb instability of charge glycol microdroplets occurs at X ∼ 1, as predicted by Lord Raleigh. (nevyjel)

  16. Dynamics of cluster structures in a financial market network

    Science.gov (United States)

    Kocheturov, Anton; Batsyn, Mikhail; Pardalos, Panos M.

    2014-11-01

    In the course of recent fifteen years the network analysis has become a powerful tool for studying financial markets. In this work we analyze stock markets of the USA and Sweden. We study cluster structures of a market network constructed from a correlation matrix of returns of the stocks traded in each of these markets. Such cluster structures are obtained by means of the P-Median Problem (PMP) whose objective is to maximize the total correlation between a set of stocks called medians of size p and other stocks. Every cluster structure is an undirected disconnected weighted graph in which every connected component (cluster) is a star, or a tree with one central node (called a median) and several leaf nodes connected with the median by weighted edges. Our main observation is that in non-crisis periods of time cluster structures change more chaotically, while during crises they show more stable behavior and fewer changes. Thus an increasing stability of a market graph cluster structure obtained via the PMP could be used as an indicator of a coming crisis.

  17. Anisotropic mobility and carrier dynamics in the β-type BEDT-TTF salts as studied by inter-layer transverse magnetoresistance

    Directory of Open Access Journals (Sweden)

    Shigeharu Sugawara and Masafumi Tamura

    2013-01-01

    Full Text Available A new method to estimate an in-plane conduction anisotropy in a quasi-two-dimensional (q2D layered conductor by measuring the inter-layer transverse magnetoresistance is proposed. We applied this method to layered organic conductors β-(BEDT-TTF2X (BEDT-TTF = bis(ethylenedithiotetrathiafulvalene, C10H8S8; X = IBr2, I2Br by applying magnetic field rotating within the basal plane at 4.2 K. We found the anisotropic behaviour of carrier mobility μ. From this, anomalous distribution of carrier lifetime τ on the Fermi surface is derived, by the use of Fermi surface data reported for the materials. Calculations of the non-uniform susceptibility χ0(q suggest that carrier scattering is enhanced at specific k-points related to partial nesting of the Fermi surface. The present method is thus demonstrated to be an efficient experimental tool to elucidate anisotropic carrier dynamics in q2D conductors.

  18. Dynamic clustering and chemotactic collapse of self-phoretic active particles.

    Science.gov (United States)

    Pohl, Oliver; Stark, Holger

    2014-06-13

    Recent experiments with self-phoretic particles at low concentrations show a pronounced dynamic clustering [I. Theurkauff et al., Phys. Rev. Lett. 108, 268303 (2012)]. We model this situation by taking into account the translational and rotational diffusiophoretic motion, which the active particles perform in their self-generated chemical field. Our Brownian dynamics simulations show pronounced dynamic clustering only when these two phoretic contributions give rise to competing attractive and repulsive interactions, respectively. We identify two dynamic clustering states and characterize them by power-law-exponential distributions. In case of mere attraction a chemotactic collapse occurs directly from the gaslike into the collapsed state, which we also predict by mapping our Langevin dynamics on the Keller-Segel model for bacterial chemotaxis.

  19. Transformation dynamics of Ni clusters into NiO rings under electron beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Knez, Daniel, E-mail: daniel.knez@felmi-zfe.at [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Thaler, Philipp; Volk, Alexander [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Kothleitner, Gerald [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Ernst, Wolfgang E. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Hofer, Ferdinand [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria)

    2017-05-15

    We report the transformation of nickel clusters into NiO rings by an electron beam induced nanoscale Kirkendall effect. High-purity nickel clusters consisting of a few thousand atoms have been used as precursors and were synthesized with the superfluid helium droplet technique. Aberration-corrected, analytical scanning transmission electron microscopy was applied to oxidise and simultaneously analyse the nanostructures. The transient dynamics of the oxidation could be documented by time lapse series using high-angle annular dark-field imaging and electron energy-loss spectroscopy. A two-step Cabrera-Mott oxidation mechanism was identified. It was found that water adsorbed adjacent to the clusters acts as oxygen source for the electron beam induced oxidation. The size-dependent oxidation rate was estimated by quantitative EELS measurements combined with molecular dynamics simulations. Our findings could serve to better control sample changes during examination in an electron microscope, and might provide a methodology to generate other metal oxide nanostructures. - Highlights: • Beam induced conversion of Ni clusters into crystalline NiO rings has been observed. • Ni clusters were grown with the superfluid He-droplet technique. • oxidizeSTEM was utilized to investigate and simultaneously oxidize these clusters. • Oxidation dynamics was captured in real-time. • Cluster sizes and the oxidation rate were estimated via EELS and molecular dynamics.

  20. A Dynamical Potential-Density Pair for Star Clusters with Nearly Isothermal Interiors

    Science.gov (United States)

    Stone, Nicholas C.; Ostriker, Jeremiah P.

    2015-06-01

    We present a potential-density pair designed to model nearly isothermal star clusters (and similar self-gravitating systems) with a central core and an outer turnover radius, beyond which density falls off as {r}-4. In the intermediate zone, the profile is similar to that of an isothermal sphere (density ρ \\propto {r}-2), somewhat less steep than the King profile, and with the advantage that many dynamical quantities can be written in a simple closed form. We derive new analytic expressions for the cluster binding energy and velocity dispersion, and apply these to create toy models for cluster core collapse and evaporation. We fit our projected surface brightness profiles to observed globular and open clusters, and find that the quality of fit is generally at least as good as that for the surface brightness profiles of King. This model can be used for convenient computation of the dynamics and evolution of globular and nuclear star clusters.

  1. Molecular dynamics modelling of EGCG clusters on ceramide bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Yeo, Jingjie; Cheng, Yuan; Li, Weifeng; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 (Singapore)

    2015-12-31

    A novel method of atomistic modelling and characterization of both pure ceramide and mixed lipid bilayers is being developed, using only the General Amber ForceField. Lipid bilayers modelled as pure ceramides adopt hexagonal packing after equilibration, and the area per lipid and bilayer thickness are consistent with previously reported theoretical results. Mixed lipid bilayers are modelled as a combination of ceramides, cholesterol, and free fatty acids. This model is shown to be stable after equilibration. Green tea extract, also known as epigallocatechin-3-gallate, is introduced as a spherical cluster on the surface of the mixed lipid bilayer. It is demonstrated that the cluster is able to bind to the bilayers as a cluster without diffusing into the surrounding water.

  2. Stochastic dynamics of spatial effects in fragmentation of clusters

    International Nuclear Information System (INIS)

    Salinas-Rodriguez, E.; Rodriguez, R.F.; Zamora, J.M.

    1991-01-01

    We use a stochastic approach to study the effects of spatial in homogeneities in the kinetics of a fragmentation model which occurs in cluster breakup and polymer degradation. The analytical form of the cluster size distribution function is obtained for both the discrete and continuous limits. From it we calculate numerically the average size and volume of the clusters, their total concentration and the total scattering of the dispersion in both limits. The influence of spatial effects is explicitly shown in the last two quantities. From our description the equations for the equal-time and the two times density correlation functions are also derived in the continuous limit. Finally, the perspectives and limitations of our approach are discussed (Author)

  3. Exploring the Dynamics of Exoplanetary Systems in a Young Stellar Cluster

    Science.gov (United States)

    Thornton, Jonathan Daniel; Glaser, Joseph Paul; Wall, Joshua Edward

    2018-01-01

    I describe a dynamical simulation of planetary systems in a young star cluster. One rather arbitrary aspect of cluster simulations is the choice of initial conditions. These are typically chosen from some standard model, such as Plummer or King, or from a “fractal” distribution to try to model young clumpy systems. Here I adopt the approach of realizing an initial cluster model directly from a detailed magnetohydrodynamical model of cluster formation from a 1000-solar-mass interstellar gas cloud, with magnetic fields and radiative and wind feedback from massive stars included self-consistently. The N-body simulation of the stars and planets starts once star formation is largely over and feedback has cleared much of the gas from the region where the newborn stars reside. It continues until the cluster dissolves in the galactic field. Of particular interest is what would happen to the free-floating planets created in the gas cloud simulation. Are they captured by a star or are they ejected from the cluster? This method of building a dynamical cluster simulation directly from the results of a cluster formation model allows us to better understand the evolution of young star clusters and enriches our understanding of extrasolar planet development in them. These simulations were performed within the AMUSE simulation framework, and combine N-body, multiples and background potential code.

  4. A dynamic lattice searching method with rotation operation for optimization of large clusters

    International Nuclear Information System (INIS)

    Wu Xia; Cai Wensheng; Shao Xueguang

    2009-01-01

    Global optimization of large clusters has been a difficult task, though much effort has been paid and many efficient methods have been proposed. During our works, a rotation operation (RO) is designed to realize the structural transformation from decahedra to icosahedra for the optimization of large clusters, by rotating the atoms below the center atom with a definite degree around the fivefold axis. Based on the RO, a development of the previous dynamic lattice searching with constructed core (DLSc), named as DLSc-RO, is presented. With an investigation of the method for the optimization of Lennard-Jones (LJ) clusters, i.e., LJ 500 , LJ 561 , LJ 600 , LJ 665-667 , LJ 670 , LJ 685 , and LJ 923 , Morse clusters, silver clusters by Gupta potential, and aluminum clusters by NP-B potential, it was found that both the global minima with icosahedral and decahedral motifs can be obtained, and the method is proved to be efficient and universal.

  5. Effect of Policy Analysis on Indonesia’s Maritime Cluster Development Using System Dynamics Modeling

    Science.gov (United States)

    Nursyamsi, A.; Moeis, A. O.; Komarudin

    2018-03-01

    As an archipelago with two third of its territory consist of water, Indonesia should address more attention to its maritime industry development. One of the catalyst to fasten the maritime industry growth is by developing a maritime cluster. The purpose of this research is to gain understanding of the effect if Indonesia implement maritime cluster policy to the growth of maritime economic and its role to enhance the maritime cluster performance, hence enhancing Indonesia’s maritime industry as well. The result of the constructed system dynamic model simulation shows that with the effect of maritime cluster, the growth of employment rate and maritime economic is much bigger that the business as usual case exponentially. The result implies that the government should act fast to form a legitimate cluster maritime organizer institution so that there will be a synergize, sustainable, and positive maritime cluster environment that will benefit the performance of Indonesia’s maritime industry.

  6. Dynamical Mass Measurements of Contaminated Galaxy Clusters Using Support Distribution Machines

    Science.gov (United States)

    Ntampaka, Michelle; Trac, Hy; Sutherland, Dougal; Fromenteau, Sebastien; Poczos, Barnabas; Schneider, Jeff

    2018-01-01

    We study dynamical mass measurements of galaxy clusters contaminated by interlopers and show that a modern machine learning (ML) algorithm can predict masses by better than a factor of two compared to a standard scaling relation approach. We create two mock catalogs from Multidark’s publicly available N-body MDPL1 simulation, one with perfect galaxy cluster membership infor- mation and the other where a simple cylindrical cut around the cluster center allows interlopers to contaminate the clusters. In the standard approach, we use a power-law scaling relation to infer cluster mass from galaxy line-of-sight (LOS) velocity dispersion. Assuming perfect membership knowledge, this unrealistic case produces a wide fractional mass error distribution, with a width E=0.87. Interlopers introduce additional scatter, significantly widening the error distribution further (E=2.13). We employ the support distribution machine (SDM) class of algorithms to learn from distributions of data to predict single values. Applied to distributions of galaxy observables such as LOS velocity and projected distance from the cluster center, SDM yields better than a factor-of-two improvement (E=0.67) for the contaminated case. Remarkably, SDM applied to contaminated clusters is better able to recover masses than even the scaling relation approach applied to uncon- taminated clusters. We show that the SDM method more accurately reproduces the cluster mass function, making it a valuable tool for employing cluster observations to evaluate cosmological models.

  7. Numerical Aspects Related to the Dynamic Update of Anisotropic Permeability Field During the Transport of Nanoparticles in the Subsurface

    KAUST Repository

    Chen, Meng-Huo

    2016-06-01

    Nanoparticles are particles that are between 1 and 100 nanometers in size. They present possible dangers to the environment due to the high surface to volume ratio, which can make the particles very reactive or catalytic. Furthermore, rapid increase in the implementation of nanotechnologies has released large amount of the nanowaste into the environment. In the last two decades, transport of nanoparticles in the subsurface and the potential hazard they impose to the environment have attracted the attention of researchers. In this work, we use numerical simulation to investigate the problem regarding the transport phenomena of nanoparticles in anisotropic porous media. We consider the case in which the permeability in the principal direction components will vary with respect to time. The interesting thing in this case is the fact that the anisotropy could disappear with time. We investigate the effect of the degenerating anisotropy on various fields such as pressure, porosity, concentration and velocities.

  8. Binary systems, star clusters and the Galactic-field population. Applied stellar dynamics

    Science.gov (United States)

    Kroupa, Pavel

    2002-01-01

    This book contains the results of recent theoretical work on the evolution of primordial binary systems in young star clusters, their effect on the evolution of their host clusters, implications for the distribution of young stars in the Milky Way, and the formation of bound star clusters. This work shows that if the Galactic-field binary population is a dynamically evolved version of the Taurus-Auriga pre-main sequence population, then most stars form in clusters with typically a few hundred binaries within a radius of about 0.5-1 pc. The results also suggest that the population I primordial binary-star orbital-parameter distribution functions may be universal, much like the initial mass function. Most solar-like planetary systems can survive in such clusters. The work presented here also establishes that most observed triple and quadruple systems must be primordial, but that α Cen A/B-Proxima Cen-like systems can form in clusters through dynamical capture. Precise N-body calculations using Aarseth's N-body codes of clusters containing up to 104 stars are used to create an extensive young-cluster library. These data demonstrate that the primordial binary systems are disrupted on a crossing-time scale, and that the truncation of the surviving period distribution measures the maximum concentration the cluster ever experienced. The N-body calculations demonstrate that Galactic star clusters form readily as nuclei of expanding OB associations despite a star-formation efficiency of typically 30 per cent and gas-expulsion over a time-span shorter than the cluster crossing time.

  9. Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sugam, E-mail: sugam@barc.gov.in; Mehan, S.; Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400094 (India); Schwein, R. [Institut Laue-Langevin, DS/LSS, 6 rue Jules Horowitz, F-38042 Grenoble Cedex 9 (France)

    2016-05-23

    Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

  10. Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

    International Nuclear Information System (INIS)

    Kumar, Sugam; Mehan, S.; Aswal, V. K.; Schwein, R.

    2016-01-01

    Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

  11. Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

    Science.gov (United States)

    Kumar, Sugam; Mehan, S.; Aswal, V. K.; Schwein, R.

    2016-05-01

    Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

  12. Membership and Dynamical Parameters of the Open Cluster NGC 1039

    Science.gov (United States)

    Wang, Jiaxin; Ma, Jun; Wu, Zhenyu; Zhou, Xu

    2017-11-01

    In this paper, we analyze the open cluster NGC 1039. This young open cluster is observed as a part of Beijing-Arizona-Taiwan-Connecticut Multicolor Sky Survey. Combining our observations with the Sloan Digital Sky Survey photometric data, we employ the Padova stellar model and the zero-age main-sequence curve to the data to derive a reddening, E(B-V)=0.10+/- 0.02, and a distance modulus, {(m-M)}0=8.4+/- 0.2, for NGC 1039. The photometric membership probabilities of stars in the region of NGC 1039 are derived using the spectral energy distribution-fitting method. According to the membership probabilities ({P}{SED}) obtained here, 582 stars are cluster members with {P}{SED} larger than 60%. In addition, we determine the structural parameters of NGC 1039 by fitting its radial density profile with the King model. These parameters are a core radius, {R}{{c}}=4.44+/- 1.31 {pc}; a tidal radius, {R}{{t}}=13.57+/- 4.85 {pc}; and a concentration parameter of {C}0={log}({R}{{t}}/{R}{{c}})=0.49+/- 0.20. We also fit the observed mass function of NGC 1039 with masses from 0.3 {M}⊙ to 1.65 {M}⊙ with a power-law function {{Φ }}(m)\\propto {m}α to derive its slopes of mass functions of different spatial regions. The results obtained here show that the slope of the mass function of NGC 1039 is flatter in the central regions (α = 0.117), becomes steeper at larger radii (α = -2.878), and breaks at {m}{break}≈ 0.80 {M}⊙ . In particular, for the first time, our results show that the mass segregation appears in NGC 1039.

  13. The Wedding of Modified Dynamics and Non-Exotic Dark Matter in Galaxy Clusters

    Science.gov (United States)

    Famaey, B.; Angus, G. W.; Gentile, G.; Shan, H. Y.; Zhao, H. S.

    2008-04-01

    We summarize the status of Modified Newtonian Dynamics (MOND) in galaxy clusters. The observed acceleration is typically larger than the acceleration threshold of MOND in the central regions, implying that some dark matter is necessary to explain the mass discrepancy there. A plausible resolution of this issue is that the unseen mass in MOND is in the form of ordinary neutrinos with masses just below the experimentally detectable limit. In particular, we show that the lensing mass reconstructions of the rich clusters 1E0657-56 (the bullet cluster) and Cl0024+17 (the ring) do not pose a new challenge to this scenario. However, the mass discrepancy for cool X-ray emitting groups in which neutrinos cannot cluster pose a more serious problem, meaning that dark baryons could present a more satisfactory solution to the problem of unseen mass in MOND clusters.

  14. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... while CuCoNO, Co3NO, Cu3CoNO, Cu2Co3NO, Cu3Co3NO and Cu6CoNO clusters display stronger chemical stability. Magnetic and electronic properties are also discussed. The magnetic moment is affected by charge transfer and the spd hybridization. Keywords. CumConNO (m + n = 2–7) clusters; ...

  15. Dynamical Substructures of Galactic Globular Clusters III. NGC 7006

    Directory of Open Access Journals (Sweden)

    Jonghwan Rhee

    2005-12-01

    Full Text Available To study the effects of giant population on dynamical substructures of the central region of NGC 7006, we examine the radial variations of ellipticity and position angle on BV stellar photometry using ellipse fitting technique. Total variations of ellipticity and position angle lie in the range 0.02˜0.06 and -10° ˜ +90°, respectively, from the center out to three times the half light radius. Our ellipse fitting results, after removing giant populations, show that the apparent central dynamical substructures of NGC 7006 are mainly affected by red giant, horizontal branch stars. On the contrary, the contribution of light from subgiant stars to the inner dynamical substructure seems to be insignificant.

  16. Dynamics of the young LMC cluster NGC 1866

    Science.gov (United States)

    Fischer, Philippe; Welch, Douglas L.; Cote, Patrick; Mateo, Mario; Madore, Barry F.

    1992-01-01

    The 1.0-m telescope at Las Campanas was used to obtain V-band CCD images of the young LMC cluster NGC 1866 out to a projected radius of 100 pc. Radial velocities with a mean precision of 1.0 km/s were measured for 69 member supergiants using the echelle spectrograph on the 2.5-m telescope. The total cluster luminosity is 6.5 +/-0.3 x 10 exp 5 solar luminosities. A star-subtracted, median-filtered U frame was employed to determine photometric shape parameters. The stellar radial velocities indicate that NGC 1866 has a systemic velocity of 301.2 +/-1.0 km/s. A comparison of the derived values for NGC 1866 and the theoretical nu-0/sigma-0 - epsilon relationship indicates that the observed flattening is consistent with rotation. The quality of the fits for models with rotation is clearly superior to those without, and isotropic orbits agree best with the data in both cases.

  17. Self-diffusion dynamic behavior of atomic clusters on Re(0 0 0 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Liu Fusheng [Department of Applied Physics, Hunan University, Changsha 410082 (China); Hu Wangyu, E-mail: wangyuhu2001cn@yahoo.com.cn [Department of Applied Physics, Hunan University, Changsha 410082 (China); Deng Huiqiu; Luo Wenhua; Xiao Shifang [Department of Applied Physics, Hunan University, Changsha 410082 (China); Yang Jianyu [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China)

    2009-08-15

    Using molecular dynamics simulations and a modified analytic embedded atom potential, the self-diffusion dynamics of rhenium atomic clusters up to seven atoms on Re(0 0 0 1) surface have been studied in the temperature ranges from 600 K to 1900 K. The simulation time varies from 20 ns to 200 ns according to the cluster sizes and the temperature. The heptamer and trimer are more stable comparing to other neighboring non-compact clusters. The diffusion coefficients of clusters are derived from the mean square displacement of cluster's mass-center, and diffusion prefactors D{sub 0} and activation energies E{sub a} are derived from the Arrhenius relation. It is found that the Arrhenius relation of the adatom can be divided into two parts at different temperature range. The activation energy of clusters increases with the increasing of the atom number in clusters. The prefactor of the heptamer is 2-3 orders of magnitude higher than a usual prefactor because of a large number of nonequivalent diffusion processes. The trimer and heptamer are the nuclei at different temperature range according to the nucleation theory.

  18. Viscous anisotropic hydrodynamics for the Gubser flow

    Science.gov (United States)

    Martinez, M.; McNelis, M.; Heinz, U.

    2017-11-01

    In this work we describe the dynamics of a highly anisotropic system undergoing boost-invariant longitudinal and azimuthally symmetric radial expansion (Gubser flow) for arbitrary shear viscosity to entropy density ratio. We derive the equations of motion of dissipative anisotropic hydrodynamics by applying to this situation the moments method recently derived by Molnár et al. (MNR) [E. Molnar, H. Niemi, and D. H. Rischke, "Derivation of anisotropic dissipative fluid dynamics from the Boltzmann equation," Phys. Rev. D93 no. 11, (2016) 114025, arxiv:arXiv:1602.00573 [nucl-th], E. Molnar, H. Niemi, and D. H. Rischke, "Closing the equations of motion of anisotropic fluid dynamics by a judicious choice of a moment of the Boltzmann equation," Phys. Rev. D94 no. 12, (2016) 125003, arxiv:arXiv:1606.09019 [nucl-th

  19. On the ultrafast charge migration dynamics in isolated ionized halogen, chalcogen, pnicogen, and tetrel bonded clusters

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, Sankhabrata; Rana, Bhaskar [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore (India); Periyasamy, Ganga [Department of Chemistry, Central College Campus, Bangalore University, Bangalore (India); Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore (India)

    2016-06-15

    Highlights: • Attosecond charge migration following ionization. • Halogen, chalcogen, pnicogen, and tetrel bonds. • Density functional theory. • Linear combination of atomic orbitals (LCAO). - Abstract: Here we demonstrate, compare and contrast relaxation- and correlation-driven charge migration dynamics in halogen, chalcogen, pnicogen and tetrel bonded clusters, following their vertical ionization. For this work, we have selected different isolated A–X:NH{sub 3} clusters, where A represents F, Cl, CN and NH{sub 2} substituents and X features Cl, SH, PH{sub 2} and SiH{sub 3} to exhibit specific noncovalent bonding interaction. The charge migration dynamics in these clusters is studied using the density functional theory (DFT) with the wB97XD functional and the 6-31+G(d,p) basis set. Approximately 400–600 attosecond time scale is predicted for charge migration in (1:1) AX:NH{sub 3} complexes. Effects of basis set and intermolecular distance on the ultrafast charge migration dynamics through the halogen, chalcogen, pnicogen, and tetrel bonded clusters are also discussed. This is the first report on pure relaxation- and correlation-driven charge migration dynamics in chalcogen, pnicogen and tetrel bonded clusters.

  20. Approximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant; Qiongyu, Cheng

    2007-01-01

    Interactive dynamic influence diagrams (I-DIDs) offer a transparent and semantically clear representation for the sequential decision-making problem over multiple time steps in the presence of other interacting agents. Solving I-DIDs exactly involves knowing the solutions of possible models...

  1. Exploring personality clusters among parents of ED subjects. Relationship with parents' psychopathology, attachment, and family dynamics.

    Science.gov (United States)

    Amianto, Federico; Daga, Giovanni Abbate; Bertorello, Antonella; Fassino, Secondo

    2013-10-01

    prototypical mothers and fathers of EDs. Parents not disturbed as regards personality traits are not exceptions. Since EDs are multifactor disorders family dynamics related to parents' personality may be very relevant or even marginal in their pathogenesis. Conversely, parenting may be negatively influenced by relatively marginal personality malfunctions of parents. The clustering approach to the complexity of personality-related dynamics of ED families improves the picture of ED parents. Psychoeducational, counseling and psychotherapeutic family interventions should consider the specific underlying personality of parents. Copyright © 2013 Elsevier Inc. All rights reserved.

  2. Multidimensional Dynamic Programming Algorithm for N-Level Batching with Hierarchical Clustering Structure

    Directory of Open Access Journals (Sweden)

    Seung-Kil Lim

    2017-01-01

    Full Text Available This study focuses on the N-level batching problem with a hierarchical clustering structure. Clustering is the task of grouping a set of item types in such a way that item types in the same cluster are more similar (in some sense or another to each other than to those in other clusters. In hierarchical clustering structure, more and more different item types are clustered together as the level of the hierarchy increases. N-level batching is the process by which items with different types are grouped into several batches passed from level 1 to level N sequentially for given hierarchical clustering structure such that batches in each level should satisfy the maximum and minimum batch size requirements of the level. We consider two types of processing costs of the batches: unit processing cost and batch processing cost. We formulate the N-level batching problem with a hierarchical clustering structure as a nonlinear integer programming model with the objective of minimizing the total processing cost. To solve the problem optimally, we propose a multidimensional dynamic programming algorithm with an example.

  3. Energy Efficient Cooperative Spectrum Sensing in Cognitive Radio Networks Using Distributed Dynamic Load Balanced Clustering Scheme

    Directory of Open Access Journals (Sweden)

    Muthukkumar R.

    2017-04-01

    Full Text Available Cognitive Radio (CR is a promising and potential technique to enable secondary users (SUs or unlicenced users to exploit the unused spectrum resources effectively possessed by primary users (PUs or licenced users. The proven clustering approach is used to organize nodes in the network into the logical groups to attain energy efficiency, network scalability, and stability for improving the sensing accuracy in CR through cooperative spectrum sensing (CSS. In this paper, a distributed dynamic load balanced clustering (DDLBC algorithm is proposed. In this algorithm, each member in the cluster is to calculate the cooperative gain, residual energy, distance, and sensing cost from the neighboring clusters to perform the optimal decision. Each member in a cluster participates in selecting a cluster head (CH through cooperative gain, and residual energy that minimises network energy consumption and enhances the channel sensing. First, we form the number of clusters using the Markov decision process (MDP model to reduce the energy consumption in a network. In this algorithm, CR users effectively utilize the PUs reporting time slots of unavailability. The simulation results reveal that the clusters convergence, energy efficiency, and accuracy of channel sensing increased considerably by using the proposed algorithm.

  4. Energy Efficient Cooperative Spectrum Sensing in Cognitive Radio Networks Using Distributed Dynamic Load Balanced Clustering Scheme

    Directory of Open Access Journals (Sweden)

    Muthukkumar R.

    2016-07-01

    Full Text Available Cognitive Radio (CR is a promising and potential technique to enable secondary users (SUs or unlicenced users to exploit the unused spectrum resources effectively possessed by primary users (PUs or licenced users. The proven clustering approach is used to organize nodes in the network into the logical groups to attain energy efficiency, network scalability, and stability for improving the sensing accuracy in CR through cooperative spectrum sensing (CSS. In this paper, a distributed dynamic load balanced clustering (DDLBC algorithm is proposed. In this algorithm, each member in the cluster is to calculate the cooperative gain, residual energy, distance, and sensing cost from the neighboring clusters to perform the optimal decision. Each member in a cluster participates in selecting a cluster head (CH through cooperative gain, and residual energy that minimises network energy consumption and enhances the channel sensing. First, we form the number of clusters using the Markov decision process (MDP model to reduce the energy consumption in a network. In this algorithm, CR users effectively utilize the PUs reporting time slots of unavailability. The simulation results reveal that the clusters convergence, energy efficiency, and accuracy of channel sensing increased considerably by using the proposed algorithm.

  5. Analysis of the structure and dynamics of the stellar tails of open star clusters

    Science.gov (United States)

    Chumak, Ya. O.; Rastorguev, A. S.

    2006-03-01

    We have analyzed the formation, structure, and dynamical evolution of the population of stars that escaped from open clusters by numerical simulations using S. Aarseth’s modified NBODY6 code. In the Galactic tidal field, the population of stars that escaped from a cluster is shown to be elongated along the orbit of the cluster symmetrically about its core in the form of stellar tails of increasing sizes. We analyze the parameters of stellar tails as a function of such initial simulation conditions as the number of stars, the cluster density, the eccentricity of the Galactic cluster orbit in the plane of the Galactic disk, and the z velocity component. As a result, we constructed a grid of model stellar tails of open clusters. The grid includes such time-dependent parameters of the stellar tails as the length, the cross section, the number of stars, the velocity distribution, etc. Our simulations allow us to clarify the origin of moving clusters and stellar streams and to assess the role of star clusters in forming the stellar velocity field in the solar neighborhood.

  6. Antisymmetrized molecular dynamics studies for exotic clustering phenomena in neutron-rich nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Kimura, M. [Hokkaido University, Department of Physics, Sapporo (Japan); Hokkaido University, Nuclear Reaction Data Centre, Faculty of Science, Sapporo (Japan); Suhara, T. [Matsue College of Technology, Matsue (Japan); Kanada-En' yo, Y. [Kyoto University, Department of Physics, Kyoto (Japan)

    2016-12-15

    We present a review of recent works on clustering phenomena in unstable nuclei studied by antisymmetrized molecular dynamics (AMD). The AMD studies in these decades have uncovered novel types of clustering phenomena brought about by the excess neutrons. Among them, this review focuses on the molecule-like structure of unstable nuclei. One of the earliest discussions on the clustering in unstable nuclei was made for neutron-rich Be and B isotopes. AMD calculations predicted that the ground state clustering is enhanced or reduced depending on the number of excess neutrons. Today, the experiments are confirming this prediction as the change of the proton radii. Behind this enhancement and reduction of the clustering, there are underlying shell effects called molecular and atomic orbits. These orbits form covalent and ionic bonding of the clusters analogous to the atomic molecules. It was found that this ''molecular-orbit picture'' reasonably explains the low-lying spectra of Be isotopes. The molecular-orbit picture is extended to other systems having parity asymmetric cluster cores and to the three cluster systems. O and Ne isotopes are the candidates of the former, while the 3α linear chains in C isotopes are the latter. For both subjects, many intensive studies are now in progress. We also pay a special attention to the observables which are the fingerprint of the clustering. In particular, we focus on the monopole and dipole transitions which are recently regarded as good probe for the clustering. We discuss how they have and will reveal the exotic clustering. (orig.)

  7. Centroid path integral molecular dynamics simulation of lithium para-hydrogen clusters

    Science.gov (United States)

    Kinugawa, Kenichi; Moore, Preston B.; Klein, Michael L.

    1997-01-01

    The real-time quantum dynamics of a series of lithium para-hydrogen clusters, Li(p-H2)n (n=13, 55, and 180), has been investigated at 2.5 and 4.0 K by means of normal mode centroid path integral molecular dynamics (NMCMD) simulation, following the methodology originally proposed by Cao and Voth [J. Chem. Phys. 101, 6168 (1994)]. The Li(p-H2)34 and neat (p-H2)34 clusters have also been simulated at 2.5 K to see the effect of doping of a Li atom on the cluster dynamics. We explicitly display both the microcanonical and the constant-temperature equations of motion for NMCMD simulations using the Nosé-Hoover chain thermostats and the reference system propagator algorithm (RESPA). In addition to the energetic and structural properties, the real-time semi-classical dynamics of the centroids of the Li atom and p-H2 molecules in the clusters has been explored to investigate the diffusive and vibrational properties. In general, quantization of the nuclear motion enhances the ease of melting and diffusion, and also causes the power spectra of the velocity autocorrelation functions of hydrogen molecules to be dramatically shifted to lower frequency than in the classical regime. The self-diffusion coefficient of p-H2 molecules in the Li(p-H2)13 cluster, which is melted completely at both 2.5 and 4.0 K, is comparable to the experimental value of bulk liquid p-H2 just above the melting temperature (14 K). No significant differences have been found for the structural properties, molecular diffusion, and the quantum vibrational spectra of p-H2 molecules between the neat (p-H2)34 and Li(p-H2)34 clusters at 2.5 K. The n=34, 55, and 180 clusters show a solidlike core and a tendency towards surface melting at 2.5 K, with diffusion restricted to the outer region. The core of the Li(p-H2)55 cluster exhibits slow liquidlike diffusion at 4.0 K, whereas that of the Li(p-H2)180 cluster remains solidlike at this temperature. The quantum power spectrum of the velocity autocorrelation

  8. Priority Based Congestion Control Dynamic Clustering Protocol in Mobile Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    R. Beulah Jayakumari

    2015-01-01

    Full Text Available Wireless sensor network is widely used to monitor natural phenomena because natural disaster has globally increased which causes significant loss of life, economic setback, and social development. Saving energy in a wireless sensor network (WSN is a critical factor to be considered. The sensor nodes are deployed to sense, compute, and communicate alerts in a WSN which are used to prevent natural hazards. Generally communication consumes more energy than sensing and computing; hence cluster based protocol is preferred. Even with clustering, multiclass traffic creates congested hotspots in the cluster, thereby causing packet loss and delay. In order to conserve energy and to avoid congestion during multiclass traffic a novel Priority Based Congestion Control Dynamic Clustering (PCCDC protocol is developed. PCCDC is designed with mobile nodes which are organized dynamically into clusters to provide complete coverage and connectivity. PCCDC computes congestion at intra- and intercluster level using linear and binary feedback method. Each mobile node within the cluster has an appropriate queue model for scheduling prioritized packet during congestion without drop or delay. Simulation results have proven that packet drop, control overhead, and end-to-end delay are much lower in PCCDC which in turn significantly increases packet delivery ratio, network lifetime, and residual energy when compared with PASCC protocol.

  9. Fast optimization of binary clusters using a novel dynamic lattice searching method

    International Nuclear Information System (INIS)

    Wu, Xia; Cheng, Wen

    2014-01-01

    Global optimization of binary clusters has been a difficult task despite of much effort and many efficient methods. Directing toward two types of elements (i.e., homotop problem) in binary clusters, two classes of virtual dynamic lattices are constructed and a modified dynamic lattice searching (DLS) method, i.e., binary DLS (BDLS) method, is developed. However, it was found that the BDLS can only be utilized for the optimization of binary clusters with small sizes because homotop problem is hard to be solved without atomic exchange operation. Therefore, the iterated local search (ILS) method is adopted to solve homotop problem and an efficient method based on the BDLS method and ILS, named as BDLS-ILS, is presented for global optimization of binary clusters. In order to assess the efficiency of the proposed method, binary Lennard-Jones clusters with up to 100 atoms are investigated. Results show that the method is proved to be efficient. Furthermore, the BDLS-ILS method is also adopted to study the geometrical structures of (AuPd) 79 clusters with DFT-fit parameters of Gupta potential

  10. Cluster-based Dynamic Energy Management for Collaborative Target Tracking in Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Dao-Wei Bi

    2007-07-01

    Full Text Available A primary criterion of wireless sensor network is energy efficiency. Focused onthe energy problem of target tracking in wireless sensor networks, this paper proposes acluster-based dynamic energy management mechanism. Target tracking problem isformulated by the multi-sensor detection model as well as energy consumption model. Adistributed adaptive clustering approach is investigated to form a reasonable routingframework which has uniform cluster head distribution. Dijkstra’s algorithm is utilized toobtain optimal intra-cluster routing. Target position is predicted by particle filter. Thepredicted target position is adopted to estimate the idle interval of sensor nodes. Hence,dynamic awakening approach is exploited to prolong sleep time of sensor nodes so that theoperation energy consumption of wireless sensor network can be reduced. The sensornodes around the target wake up on time and act as sensing candidates. With the candidatesensor nodes and predicted target position, the optimal sensor node selection is considered.Binary particle swarm optimization is proposed to minimize the total energy consumptionduring collaborative sensing and data reporting. Experimental results verify that theproposed clustering approach establishes a low-energy communication structure while theenergy efficiency of wireless sensor networks is enhanced by cluster-based dynamic energymanagement.

  11. Dynamics of the baryonic component in hierarchical clustering universes

    Science.gov (United States)

    Navarro, Julio

    1993-01-01

    I present self-consistent 3-D simulations of the formation of virialized systems containing both gas and dark matter in a flat universe. A fully Lagrangian code based on the Smoothed Particle Hydrodynamics technique and a tree data structure has been used to evolve regions of comoving radius 2-3 Mpc. Tidal effects are included by coarse-sampling the density of the outer regions up to a radius approx. 20 Mpc. Initial conditions are set at high redshift (z greater than 7) using a standard Cold Dark Matter perturbation spectrum and a baryon mass fraction of 10 percent (omega(sub b) = 0.1). Simulations in which the gas evolves either adiabatically or radiates energy at a rate determined locally by its cooling function were performed. This allows us to investigate with the same set of simulations the importance of radiative losses in the formation of galaxies and the equilibrium structure of virialized systems where cooling is very inefficient. In the absence of radiative losses, the simulations can be rescaled to the density and radius typical of galaxy clusters. A summary of the main results is presented.

  12. Nonlinear dynamics of clustering in particle-laden turbulent flows

    Science.gov (United States)

    Esmaily, Mahdi; Mani, Ali

    2017-11-01

    Heavy inertial particles in spatially and temporally varying flows can form clusters if their relaxation time is on the order of the dissipation time scale of the flow. This regime, identified by St = O (1) , is investigated in this study using analytical tools. We show that the nonlinear variation of segregation versus St can be explained by considering a one-dimensional canonical setting where particles are subjected to an oscillatory velocity gradient that is constant in space. Our analysis shows that the Lyapunov exponent, as a measure of particle segregation, reaches a minimum at St = O (1) and becomes positive at St >> 1 and approaches zero as St -> 0 or ∞. These predictions, which are corroborated by the numerical results, are directly linked and compared against measurements of the dispersion and segregation in three-dimensional turbulence. Our analysis reveals a strongly nonlinear behavior of the Lyapunov exponents in the straining regimes of strong oscillations. This work was supported by the United States Department of Energy under the Predictive Science Academic Alliance Program 2 (PSAAP2) at Stanford University.

  13. Molecular diagnostics based on clustering dynamics of magnetic nanobeads

    DEFF Research Database (Denmark)

    Donolato, Marco; Bejhed, Rebecca S.; de la Torre, Teresa Zardán Gómez

    2014-01-01

    or on the polymerase chain reaction (PCR) [1]. In this work we demonstrate detection of DNA coils formed from a Vibrio Cholerae DNA target at pM concentrations using a novel opto-magnetic approach exploiting the dynamic collective behavior of magnetic nanobeads. The technique relies on measurements of the light...... and isothermal rolling circle amplification from Vibrio cholerae DNA. The detection method is shown in Figure 1. MNBs which specifically bind to the micrometric sized DNA coil cannot rotate under the field action as free beads and form chains; this results in a strongly modified opto-magnetic signal. As a core...

  14. Proton transfer reactions and dynamics in protonated water clusters.

    Science.gov (United States)

    Lao-Ngam, Charoensak; Asawakun, Prapasri; Wannarat, Sornthep; Sagarik, Kritsana

    2011-03-14

    Proton transfer reactions and dynamics were theoretically studied using the hydrogen-bond (H-bond) complexes formed from H(3)O(+) and nH(2)O, n = 1-4, as model systems. The investigations began with searching for characteristics of transferring protons in the gas phase and continuum aqueous solution using DFT method at the B3LYP/TZVP level, followed by Born-Oppenheimer molecular dynamics (BOMD) simulations at 350 K. B3LYP/TZVP calculations revealed the threshold asymmetric O-H stretching frequencies (ν(OH)*) for the proton transfers in the Zundel complex (H(5)O) in the gas phase and continuum aqueous solution at 1984 and 1881 cm(-1), respectively. BOMD simulations suggested lower threshold frequencies (ν(OH,MD)* = 1917 and 1736 cm(-1), respectively), with two characteristic ν(OH,MD) being the IR spectral signatures of the transferring protons. The low-frequency band could be associated with the "oscillatory shuttling motion" and the high-frequency band with the "structural diffusion motion". These can be regarded as the spectroscopic evidences of the formations of the shared-proton structure (O···H(+)···O) and the H(3)O(+)-H(2)O contact structure (O-H(+)···O), respectively. Since the quasi-dynamic equilibrium between the Zundel and Eigen complexes was suggested to be the rate-determining step, in order to achieve an "ideal" maximum efficiency of proton transfer, a concerted reaction pathway should be taken. The most effective interconversion between the two proton states, the shared-proton structure and the H(3)O(+)-H(2)O contact structure, can be reflected from comparable intensities of the oscillatory shuttling and structural diffusion bands. The present results iterated the previous conclusions that static proton transfer potentials cannot provide complete description of the structural diffusion process and it is essential to incorporate thermal energy fluctuations and dynamics in the model calculations.

  15. Anisotropic diffusion of concentrated hard-sphere colloids near a hard wall studied by evanescent wave dynamic light scattering.

    Science.gov (United States)

    Michailidou, V N; Swan, J W; Brady, J F; Petekidis, G

    2013-10-28

    Evanescent wave dynamic light scattering and Stokesian dynamics simulations were employed to study the dynamics of hard-sphere colloidal particles near a hard wall in concentrated suspensions. The evanescent wave averaged short-time diffusion coefficients were determined from experimental correlation functions over a range of scattering wave vectors and penetration depths. Stokesian dynamics simulations performed for similar conditions allow a direct comparison of both the short-time self- and collective diffusivity. As seen earlier [V. N. Michailidou, G. Petekidis, J. W. Swan, and J. F. Brady, Phys. Rev. Lett. 102, 068302 (2009)] while the near wall dynamics in the dilute regime slow down compared to the free bulk diffusion, the reduction is negligible at higher volume fractions due to an interplay between the particle-wall and particle-particle hydrodynamic interactions. Here, we provide a comprehensive comparison between experiments and simulations and discuss the interplay of particle-wall and particle-particle hydrodynamics in the self- and cooperative dynamics determined at different scattering wave vectors and penetration depths.

  16. cluster

    Indian Academy of Sciences (India)

    has been investigated electrochemically in positive and negative microenvironments, both in solution and in film. Charge nature around the active centre ... in plants, bacteria and also in mammals. This cluster is also an important constituent of a ..... selection of non-cysteine amino acid in the active centre of Rieske proteins.

  17. Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics

    Science.gov (United States)

    Lau, Gabriel V.; Hunt, Patricia A.; Müller, Erich A.; Jackson, George; Ford, Ian J.

    2015-12-01

    Atmospheric aerosols play a vital role in affecting climate by influencing the properties and lifetimes of clouds and precipitation. Understanding the underlying microscopic mechanisms involved in the nucleation of aerosol droplets from the vapour phase is therefore of great interest. One key thermodynamic quantity in nucleation is the excess free energy of cluster formation relative to that of the saturated vapour. In our current study, the excess free energy is extracted for clusters of pure water modelled with the TIP4P/2005 intermolecular potential using a method based on nonequilibrium molecular dynamics and the Jarzynski relation. The change in free energy associated with the "mitosis" or division of a cluster of N water molecules into two N/2 sub-clusters is evaluated. This methodology is an extension of the disassembly procedure used recently to calculate the excess free energy of argon clusters [H. Y. Tang and I. J. Ford, Phys. Rev. E 91, 023308 (2015)]. Our findings are compared to the corresponding excess free energies obtained from classical nucleation theory (CNT) as well as internally consistent classical theory (ICCT). The values of the excess free energy that we obtain with the mitosis method are consistent with CNT for large cluster sizes but for the smallest clusters, the results tend towards ICCT; for intermediate sized clusters, we obtain values between the ICCT and CNT predictions. Furthermore, the curvature-dependent surface tension which can be obtained by regarding the clusters as spherical droplets of bulk density is found to be a monotonically increasing function of cluster size for the studied range. The data are compared to other values reported in the literature, agreeing qualitatively with some but disagreeing with the values determined by Joswiak et al. [J. Phys. Chem. Lett. 4, 4267 (2013)] using a biased mitosis approach; an assessment of the differences is the main motivation for our current study.

  18. Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Lau, Gabriel V.; Müller, Erich A.; Jackson, George [Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Hunt, Patricia A. [Department of Chemistry, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Ford, Ian J. [Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2015-12-28

    Atmospheric aerosols play a vital role in affecting climate by influencing the properties and lifetimes of clouds and precipitation. Understanding the underlying microscopic mechanisms involved in the nucleation of aerosol droplets from the vapour phase is therefore of great interest. One key thermodynamic quantity in nucleation is the excess free energy of cluster formation relative to that of the saturated vapour. In our current study, the excess free energy is extracted for clusters of pure water modelled with the TIP4P/2005 intermolecular potential using a method based on nonequilibrium molecular dynamics and the Jarzynski relation. The change in free energy associated with the “mitosis” or division of a cluster of N water molecules into two N/2 sub-clusters is evaluated. This methodology is an extension of the disassembly procedure used recently to calculate the excess free energy of argon clusters [H. Y. Tang and I. J. Ford, Phys. Rev. E 91, 023308 (2015)]. Our findings are compared to the corresponding excess free energies obtained from classical nucleation theory (CNT) as well as internally consistent classical theory (ICCT). The values of the excess free energy that we obtain with the mitosis method are consistent with CNT for large cluster sizes but for the smallest clusters, the results tend towards ICCT; for intermediate sized clusters, we obtain values between the ICCT and CNT predictions. Furthermore, the curvature-dependent surface tension which can be obtained by regarding the clusters as spherical droplets of bulk density is found to be a monotonically increasing function of cluster size for the studied range. The data are compared to other values reported in the literature, agreeing qualitatively with some but disagreeing with the values determined by Joswiak et al. [J. Phys. Chem. Lett. 4, 4267 (2013)] using a biased mitosis approach; an assessment of the differences is the main motivation for our current study.

  19. Dynamics and molecular determinants of cytoplasmic lipid droplet clustering and dispersion.

    Directory of Open Access Journals (Sweden)

    David J Orlicky

    Full Text Available Perilipin-1 (Plin1, a prominent cytoplasmic lipid droplet (CLD binding phosphoprotein and key physiological regulator of triglyceride storage and lipolysis in adipocytes, is thought to regulate the fragmentation and dispersion of CLD that occurs in response to β-adrenergic activation of adenylate cyclase. Here we investigate the dynamics and molecular determinants of these processes using cell lines stably expressing recombinant forms of Plin1 and/or other members of the perilipin family. Plin1 and a C-terminal CLD-binding fragment of Plin1 (Plin1CT induced formation of single dense CLD clusters near the microtubule organizing center, whereas neither an N-terminal CLD-binding fragment of Plin1, nor Plin2 or Plin3 induced clustering. Clustered CLD coated by Plin1, or Plin1CT, dispersed in response to isoproterenol, or other agents that activate adenylate cyclase, in a process inhibited by the protein kinase A inhibitor, H89, and blocked by microtubule disruption. Isoproterenol-stimulated phosphorylation of CLD-associated Plin1 on serine 492 preceded their dispersion, and live cell imaging showed that cluster dispersion involved initial fragmentation of tight clusters into multiple smaller clusters, which then fragmented into well-dispersed individual CLD. siRNA knockdown of the cortical actin binding protein, moesin, induced disaggregation of tight clusters into multiple smaller clusters, and inhibited the reaggregation of dispersed CLD into tight clusters. Together these data suggest that the clustering and dispersion processes involve a complex orchestration of phosphorylation-dependent, microtubule-dependent and independent, and microfilament dependent steps.

  20. Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals

    Directory of Open Access Journals (Sweden)

    Xiaogang Liang

    2016-06-01

    Full Text Available The dynamic stabilities of the icosahedral-like clusters containing up to 2200 atoms are investigated for 15 metal elements. The clusters originate from five different initial structures (icosahedron, truncated decahedron, octahedron, closed-shell fragment of an HCP structure, and non-closed-shell fragment of an HCP structure. The obtained order of the dynamic stabilities of the icosahedral-like clusters can be assigned to three groups, from stronger to weaker, according to the size ranges involved: (Zr, Al, Ti > (Cu, Fe, Co, Ni, Mg, Ag > (Pb, Au, Pd, Pt, Rh, Ir, which correspond to the predicted formation ability of the quasicrystals. Thedifferences of the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.

  1. Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Xiaogang; Hamid, Ilyar; Duan, Haiming, E-mail: dhm@xju.edu.cn [College of Physics Science and Technology. Xinjiang University, Urumqi 830046 (China)

    2016-06-15

    The dynamic stabilities of the icosahedral-like clusters containing up to 2200 atoms are investigated for 15 metal elements. The clusters originate from five different initial structures (icosahedron, truncated decahedron, octahedron, closed-shell fragment of an HCP structure, and non-closed-shell fragment of an HCP structure). The obtained order of the dynamic stabilities of the icosahedral-like clusters can be assigned to three groups, from stronger to weaker, according to the size ranges involved: (Zr, Al, Ti) > (Cu, Fe, Co, Ni, Mg, Ag) > (Pb, Au, Pd, Pt, Rh, Ir), which correspond to the predicted formation ability of the quasicrystals. The differences of the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.

  2. Experimental and theoretical investigation of the magnetization dynamics of an artificial square spin ice cluster

    Energy Technology Data Exchange (ETDEWEB)

    Pohlit, Merlin, E-mail: pohlit@physik.uni-frankfurt.de; Porrati, Fabrizio; Huth, Michael; Müller, Jens [Institute of Physics, Goethe-University Frankfurt, Frankfurt/Main (Germany); Stockem, Irina; Schröder, Christian [Bielefeld Institute for Applied Materials Research, FH Bielefeld-University of Applied Sciences, Bielefeld (Germany)

    2016-10-14

    We study the magnetization dynamics of a spin ice cluster which is a building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition both experimentally and theoretically. The spin ice cluster is composed of twelve interacting Co nanoislands grown directly on top of a high-resolution micro-Hall sensor. By employing micromagnetic simulations and a macrospin model, we calculate the magnetization and the experimentally investigated stray field emanating from a single nanoisland. The parameters determined from a comparison with the experimental hysteresis loop are used to derive an effective single-dipole macrospin model that allows us to investigate the dynamics of the spin ice cluster. Our model reproduces the experimentally observed non-deterministic sequences in the magnetization curves as well as the distinct temperature dependence of the hysteresis loop.

  3. Melting behaviour of gold-platinum nanoalloy clusters by molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ong, Yee Pin; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    The melting behavior of bimetallic gold-platinum nanoclusters is studied by applying Brownian-type isothermal molecular dynamics (MD) simulation, a program modified from the cubic coupling scheme (CCS). The process begins with the ground-state structures obtained from global minimum search algorithm and proceeds with the investigation of the effect of temperature on the thermal properties of gold-platinum nanoalloy clusters. N-body Gupta potential has been employed in order to account for the interactions between gold and platinum atoms. The ground states of the nanoalloy clusters, which are core-shell segregated, are heated until they become thermally segregated. The detailed melting mechanism of the nanoalloy clusters is studied via this approach to provide insight into the thermal stability of the nanoalloy clusters.

  4. Semiclassical Hybrid Approach to Condensed Phase Molecular Dynamics: Application to the I2Kr17 Cluster

    Czech Academy of Sciences Publication Activity Database

    Buchholz, M.; Goletz, Ch. M.; Grossman, F.; Schmidt, B.; Heyda, J.; Jungwirth, Pavel

    2012-01-01

    Roč. 116, č. 46 (2012), s. 11199-11210 ISSN 1089-5639 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : semiclassical molecular dynamics * cluster * wavepacket * coherence * spectra Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012

  5. PoD: dynamically create and use remote PROOF clusters. A thin client concept.

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    PoD’s newly developed “pod-remote” command made it possible for users to utilize a thin client concept. In order to create dynamic PROOF clusters, users are now able to select a remote computer, even behind a firewall, to control a PoD server on...

  6. Oxidation of ligand-protected aluminum clusters: An ab initio molecular dynamics study

    International Nuclear Information System (INIS)

    Alnemrat, Sufian; Hooper, Joseph P.

    2014-01-01

    We report Car-Parrinello molecular dynamics simulations of the oxidation of ligand-protected aluminum clusters that form a prototypical cluster-assembled material. These clusters contain a small aluminum core surrounded by a monolayer of organic ligand. The aromatic cyclopentadienyl ligands form a strong bond with surface Al atoms, giving rise to an organometallic cluster that crystallizes into a low-symmetry solid and is briefly stable in air before oxidizing. Our calculations of isolated aluminum/cyclopentadienyl clusters reacting with oxygen show minimal reaction between the ligand and O 2 molecules at simulation temperatures of 500 and 1000 K. In all cases, the reaction pathway involves O 2 diffusing through the ligand barrier, splitting into atomic oxygen upon contact with the aluminum, and forming an oxide cluster with aluminum/ligand bonds still largely intact. Loss of individual aluminum-ligand units, as expected from unimolecular decomposition calculations, is not observed except following significant oxidation. These calculations highlight the role of the ligand in providing a steric barrier against oxidizers and in maintaining the large aluminum surface area of the solid-state cluster material

  7. Analyzing Dynamic Probabilistic Risk Assessment Data through Topology-Based Clustering

    Energy Technology Data Exchange (ETDEWEB)

    Diego Mandelli; Dan Maljovec; BeiWang; Valerio Pascucci; Peer-Timo Bremer

    2013-09-01

    We investigate the use of a topology-based clustering technique on the data generated by dynamic event tree methodologies. The clustering technique we utilizes focuses on a domain-partitioning algorithm based on topological structures known as the Morse-Smale complex, which partitions the data points into clusters based on their uniform gradient flow behavior. We perform both end state analysis and transient analysis to classify the set of nuclear scenarios. We demonstrate our methodology on a dataset generated for a sodium-cooled fast reactor during an aircraft crash scenario. The simulation tracks the temperature of the reactor as well as the time for a recovery team to fix the passive cooling system. Combined with clustering results obtained previously through mean shift methodology, we present the user with complementary views of the data that help illuminate key features that may be otherwise hidden using a single methodology. By clustering the data, the number of relevant test cases to be selected for further analysis can be drastically reduced by selecting a representative from each cluster. Identifying the similarities of simulations within a cluster can also aid in the drawing of important conclusions with respect to safety analysis.

  8. Anisotropic magnetic interactions and spin dynamics in the spin-chain compound Cu (py) 2Br2 : An experimental and theoretical study

    Science.gov (United States)

    Zeisner, J.; Brockmann, M.; Zimmermann, S.; Weiße, A.; Thede, M.; Ressouche, E.; Povarov, K. Yu.; Zheludev, A.; Klümper, A.; Büchner, B.; Kataev, V.; Göhmann, F.

    2017-07-01

    We compare theoretical results for electron spin resonance (ESR) properties of the Heisenberg-Ising Hamiltonian with ESR experiments on the quasi-one-dimensional magnet Cu (py) 2Br2 (CPB). Our measurements were performed over a wide frequency and temperature range giving insight into the spin dynamics, spin structure, and magnetic anisotropy of this compound. By analyzing the angular dependence of ESR parameters (resonance shift and linewidth) at room temperature, we show that the two weakly coupled inequivalent spin-chain types inside the compound are well described by Heisenberg-Ising chains with their magnetic anisotropy axes perpendicular to the chain direction and almost perpendicular to each other. We further determine the full g tensor from these data. In addition, the angular dependence of the linewidth at high temperatures gives us access to the exponent of the algebraic decay of a dynamical correlation function of the isotropic Heisenberg chain. From the temperature dependence of static susceptibilities, we extract the strength of the exchange coupling (J /kB=52.0 K ) and the anisotropy parameter (δ ≈-0.02 ) of the model Hamiltonian. An independent compatible value of δ is obtained by comparing the exact prediction for the resonance shift at low temperatures with high-frequency ESR data recorded at 4 K . The spin structure in the ordered state implied by the two (almost) perpendicular anisotropy axes is in accordance with the propagation vector determined from neutron scattering experiments. In addition to undoped samples, we study the impact of partial substitution of Br by Cl ions on spin dynamics. From the dependence of the ESR linewidth on the doping level, we infer an effective decoupling of the anisotropic component J δ from the isotropic exchange J in these systems.

  9. Molecular diagnostics based on clustering dynamics of magnetic nanobeads

    DEFF Research Database (Denmark)

    Donolato, Marco; Bejhed, Rebecca S.; de la Torre, Teresa Zardán Gómez

    2014-01-01

    or on the polymerase chain reaction (PCR) [1]. In this work we demonstrate detection of DNA coils formed from a Vibrio Cholerae DNA target at pM concentrations using a novel opto-magnetic approach exploiting the dynamic collective behavior of magnetic nanobeads. The technique relies on measurements of the light...... transmission modulation caused by the AC magnetic field-stimulated reversible formation and disruption of elongated MNB supra-structures during a cycle of the uniaxial applied magnetic field. As a specific clinically relevant diagnostic case, we detect DNA coils formed via padlock probe recognition...... and isothermal rolling circle amplification from Vibrio cholerae DNA. The detection method is shown in Figure 1. MNBs which specifically bind to the micrometric sized DNA coil cannot rotate under the field action as free beads and form chains; this results in a strongly modified opto-magnetic signal. As a core...

  10. Experimental and Numerical Evaluation of the Mechanical Behavior of Strongly Anisotropic Light-Weight Metallic Fiber Structures under Static and Dynamic Compressive Loading

    Directory of Open Access Journals (Sweden)

    Olaf Andersen

    2016-05-01

    Full Text Available Rigid metallic fiber structures made from a variety of different metals and alloys have been investigated mainly with regard to their functional properties such as heat transfer, pressure drop, or filtration characteristics. With the recent advent of aluminum and magnesium-based fiber structures, the application of such structures in light-weight crash absorbers has become conceivable. The present paper therefore elucidates the mechanical behavior of rigid sintered fiber structures under quasi-static and dynamic loading. Special attention is paid to the strongly anisotropic properties observed for different directions of loading in relation to the main fiber orientation. Basically, the structures show an orthotropic behavior; however, a finite thickness of the fiber slabs results in moderate deviations from a purely orthotropic behavior. The morphology of the tested specimens is examined by computed tomography, and experimental results for different directions of loading as well as different relative densities are presented. Numerical calculations were carried out using real structural data derived from the computed tomography data. Depending on the direction of loading, the fiber structures show a distinctively different deformation behavior both experimentally and numerically. Based on these results, the prevalent modes of deformation are discussed and a first comparison with an established polymer foam and an assessment of the applicability of aluminum fiber structures in crash protection devices is attempted.

  11. Clustering Effect on the Dynamics in a Spatial Rock-Paper-Scissors System

    Science.gov (United States)

    Hashimoto, Tsuyoshi; Sato, Kazunori; Ichinose, Genki; Miyazaki, Rinko; Tainaka, Kei-ichi

    2018-01-01

    The lattice dynamics for rock-paper-scissors games is related to population theories in ecology. In most cases, simulations are performed by local and global interactions. It is known in the former case that the dynamics is usually stable. We find two types of non-random distributions in the stationary state. One is a cluster formation of endangered species: when the density of a species approaches zero, its clumping degree diverges to infinity. The other is the strong aggregations of high-density species. Such spatial pattern formations play important roles in population dynamics.

  12. Dynamic scaling of ferromagnetic micro-rod clusters under a weak magnetic field.

    Science.gov (United States)

    Cheng, Rui; Zhu, Lu; Huang, Weijie; Mao, Leidong; Zhao, Yiping

    2016-10-12

    A controlled configurational change of micro-clusters in suspensions is essential for many smart material applications. In this paper, the dynamic process of ferromagnetic microrod clusters (FMRCs) under an external magnetic field was studied as a function of the cluster size N and the applied field B. The FMRCs rearranged from a side-by-side raft-like structure to an end-to-end chain-like structure, originating from coupled motions through the field-driven alignment of both ferromagnetic microrods and FMRCs. A theoretical model based on an extension of a zig-zag chain was developed, and both the cluster length and orientation could be characterized by a retardation time constant τ, with a relationship τ ∼ N 2 /B, which agrees well with the experimental results, τ ∼ N 2.2±0.2 /B 0.8±0.1 . Such a model can be used to predict other cluster dynamics or the magneto-elastic behavior of other soft matters consisting of FMRCs.

  13. Global Analysis of miRNA Gene Clusters and Gene Families Reveals Dynamic and Coordinated Expression

    Directory of Open Access Journals (Sweden)

    Li Guo

    2014-01-01

    Full Text Available To further understand the potential expression relationships of miRNAs in miRNA gene clusters and gene families, a global analysis was performed in 4 paired tumor (breast cancer and adjacent normal tissue samples using deep sequencing datasets. The compositions of miRNA gene clusters and families are not random, and clustered and homologous miRNAs may have close relationships with overlapped miRNA species. Members in the miRNA group always had various expression levels, and even some showed larger expression divergence. Despite the dynamic expression as well as individual difference, these miRNAs always indicated consistent or similar deregulation patterns. The consistent deregulation expression may contribute to dynamic and coordinated interaction between different miRNAs in regulatory network. Further, we found that those clustered or homologous miRNAs that were also identified as sense and antisense miRNAs showed larger expression divergence. miRNA gene clusters and families indicated important biological roles, and the specific distribution and expression further enrich and ensure the flexible and robust regulatory network.

  14. Highly Anisotropic Conductors.

    Science.gov (United States)

    Wan, Jiayu; Song, Jianwei; Yang, Zhi; Kirsch, Dylan; Jia, Chao; Xu, Rui; Dai, Jiaqi; Zhu, Mingwei; Xu, Lisha; Chen, Chaoji; Wang, Yanbin; Wang, Yilin; Hitz, Emily; Lacey, Steven D; Li, Yongfeng; Yang, Bao; Hu, Liangbing

    2017-11-01

    Composite materials with ordered microstructures often lead to enhanced functionalities that a single material can hardly achieve. Many biomaterials with unusual microstructures can be found in nature; among them, many possess anisotropic and even directional physical and chemical properties. With inspiration from nature, artificial composite materials can be rationally designed to achieve this anisotropic behavior with desired properties. Here, a metallic wood with metal continuously filling the wood vessels is developed, which demonstrates excellent anisotropic electrical, thermal, and mechanical properties. The well-aligned metal rods are confined and separated by the wood vessels, which deliver directional electron transport parallel to the alignment direction. Thus, the novel metallic wood composite boasts an extraordinary anisotropic electrical conductivity (σ || /σ ⊥ ) in the order of 10 11 , and anisotropic thermal conductivity (κ || /κ ⊥ ) of 18. These values exceed the highest reported values in existing anisotropic composite materials. The anisotropic functionality of the metallic wood enables it to be used for thermal management applications, such as thermal insulation and thermal dissipation. The highly anisotropic metallic wood serves as an example for further anisotropic materials design; other composite materials with different biotemplates/hosts and fillers can achieve even higher anisotropic ratios, allowing them to be implemented in a variety of applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Coupled dynamic analysis of a single gimbal control moment gyro cluster integrated with an isolation system

    Science.gov (United States)

    Luo, Qing; Li, Dongxu; Jiang, Jianping

    2014-01-01

    Control moment gyros (CMGs) are widely used as actuators for attitude control in spacecraft. However, micro-vibrations produced by CMGs will degrade the pointing performance of high-sensitivity instruments on-board the spacecraft. This paper addresses dynamic modelling and performs an analysis on the micro-vibration isolation for a single gimbal CMG (SGCMG) cluster. First, an analytical model was developed to describe both the coupled SGCMG cluster and the multi-axis isolation system that can express the dynamic outputs. This analytical model accurately reflects the mass and inertia properties, the gyroscopic effects and flexible modes of the coupled system, which can be generalized for isolation applications of SGCMG clusters. Second, the analytical model was validated using MSC.NASTRAN software based on the finite element technique. The dynamic characteristics of the coupled system are affected by the mass distribution and the gyroscopic effects of the SGCMGs. The gyroscopic effects produced by the rotary flywheel will stiffen or soften several of the structural modes of the coupled system. In addition, the gyroscopic effect of each SGCMG can interact with or counteract that of others, which induce vibration modes coupled together. Finally, the performance of the passive isolation was analysed. It was demonstrated that the gyroscopic effects should be considered in isolation studies on SGCMG clusters; otherwise, the isolation performance will be underestimated if they are ignored.

  16. Novel approaches to pin cluster synchronization on complex dynamical networks in Lur'e forms

    Science.gov (United States)

    Tang, Ze; Park, Ju H.; Feng, Jianwen

    2018-04-01

    This paper investigates the cluster synchronization of complex dynamical networks consisted of identical or nonidentical Lur'e systems. Due to the special topology structure of the complex networks and the existence of stochastic perturbations, a kind of randomly occurring pinning controller is designed which not only synchronizes all Lur'e systems in the same cluster but also decreases the negative influence among different clusters. Firstly, based on an extended integral inequality, the convex combination theorem and S-procedure, the conditions for cluster synchronization of identical Lur'e networks are derived in a convex domain. Secondly, randomly occurring adaptive pinning controllers with two independent Bernoulli stochastic variables are designed and then sufficient conditions are obtained for the cluster synchronization on complex networks consisted of nonidentical Lur'e systems. In addition, suitable control gains for successful cluster synchronization of nonidentical Lur'e networks are acquired by designing some adaptive updating laws. Finally, we present two numerical examples to demonstrate the validity of the control scheme and the theoretical analysis.

  17. Roles of dynamical symmetry breaking in driving oblate-prolate transitions of atomic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Oka, Yurie, E-mail: ok-yu@fuji.waseda.jp; Yanao, Tomohiro, E-mail: yanao@waseda.jp [Department of Applied Mechanics and Aerospace Engineering, Waseda University, Tokyo 169-8555 (Japan); Koon, Wang Sang, E-mail: koon@cds.caltech.edu [Control and Dynamical Systems, California Institute of Technology, Pasadena, California 91125 (United States)

    2015-04-07

    This paper explores the driving mechanisms for structural transitions of atomic clusters between oblate and prolate isomers. We employ the hyperspherical coordinates to investigate structural dynamics of a seven-atom cluster at a coarse-grained level in terms of the dynamics of three gyration radii and three principal axes, which characterize overall mass distributions of the cluster. Dynamics of gyration radii is governed by two kinds of forces. One is the potential force originating from the interactions between atoms. The other is the dynamical forces called the internal centrifugal forces, which originate from twisting and shearing motions of the system. The internal centrifugal force arising from twisting motions has an effect of breaking the symmetry between two gyration radii. As a result, in an oblate isomer, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two largest gyration radii is crucial in triggering structural transitions into prolate isomers. In a prolate isomer, on the other hand, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two smallest gyration radii is crucial in triggering structural transitions into oblate isomers. Activation of a twisting motion that switches the movement patterns of three principal axes is also important for the onset of structural transitions between oblate and prolate isomers. Based on these trigger mechanisms, we finally show that selective activations of specific gyration radii and twisting motions, depending on the isomer of the cluster, can effectively induce structural transitions of the cluster. The results presented here could provide further insights into the control of molecular reactions.

  18. Roles of dynamical symmetry breaking in driving oblate-prolate transitions of atomic clusters

    Science.gov (United States)

    Oka, Yurie; Yanao, Tomohiro; Koon, Wang Sang

    2015-04-01

    This paper explores the driving mechanisms for structural transitions of atomic clusters between oblate and prolate isomers. We employ the hyperspherical coordinates to investigate structural dynamics of a seven-atom cluster at a coarse-grained level in terms of the dynamics of three gyration radii and three principal axes, which characterize overall mass distributions of the cluster. Dynamics of gyration radii is governed by two kinds of forces. One is the potential force originating from the interactions between atoms. The other is the dynamical forces called the internal centrifugal forces, which originate from twisting and shearing motions of the system. The internal centrifugal force arising from twisting motions has an effect of breaking the symmetry between two gyration radii. As a result, in an oblate isomer, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two largest gyration radii is crucial in triggering structural transitions into prolate isomers. In a prolate isomer, on the other hand, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two smallest gyration radii is crucial in triggering structural transitions into oblate isomers. Activation of a twisting motion that switches the movement patterns of three principal axes is also important for the onset of structural transitions between oblate and prolate isomers. Based on these trigger mechanisms, we finally show that selective activations of specific gyration radii and twisting motions, depending on the isomer of the cluster, can effectively induce structural transitions of the cluster. The results presented here could provide further insights into the control of molecular reactions.

  19. Roles of dynamical symmetry breaking in driving oblate-prolate transitions of atomic clusters

    International Nuclear Information System (INIS)

    Oka, Yurie; Yanao, Tomohiro; Koon, Wang Sang

    2015-01-01

    This paper explores the driving mechanisms for structural transitions of atomic clusters between oblate and prolate isomers. We employ the hyperspherical coordinates to investigate structural dynamics of a seven-atom cluster at a coarse-grained level in terms of the dynamics of three gyration radii and three principal axes, which characterize overall mass distributions of the cluster. Dynamics of gyration radii is governed by two kinds of forces. One is the potential force originating from the interactions between atoms. The other is the dynamical forces called the internal centrifugal forces, which originate from twisting and shearing motions of the system. The internal centrifugal force arising from twisting motions has an effect of breaking the symmetry between two gyration radii. As a result, in an oblate isomer, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two largest gyration radii is crucial in triggering structural transitions into prolate isomers. In a prolate isomer, on the other hand, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two smallest gyration radii is crucial in triggering structural transitions into oblate isomers. Activation of a twisting motion that switches the movement patterns of three principal axes is also important for the onset of structural transitions between oblate and prolate isomers. Based on these trigger mechanisms, we finally show that selective activations of specific gyration radii and twisting motions, depending on the isomer of the cluster, can effectively induce structural transitions of the cluster. The results presented here could provide further insights into the control of molecular reactions

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

    Science.gov (United States)

    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.

  1. Nonequilibrium Dynamics of Anisotropic Large Spins in the Kondo Regime: Time-Dependent Numerical Renormalization Group Analysis

    Science.gov (United States)

    Roosen, David; Wegewijs, Maarten R.; Hofstetter, Walter

    2008-02-01

    We investigate the time-dependent Kondo effect in a single-molecule magnet (SMM) strongly coupled to metallic electrodes. Describing the SMM by a Kondo model with large spin S>1/2, we analyze the underscreening of the local moment and the effect of anisotropy terms on the relaxation dynamics of the magnetization. Underscreening by single-channel Kondo processes leads to a logarithmically slow relaxation, while finite uniaxial anisotropy causes a saturation of the SMM’s magnetization. Additional transverse anisotropy terms induce quantum spin tunneling and a pseudospin-1/2 Kondo effect sensitive to the spin parity.

  2. Single Molecule Cluster Analysis Identifies Signature Dynamic Conformations along the Splicing Pathway

    Science.gov (United States)

    Blanco, Mario R.; Martin, Joshua S.; Kahlscheuer, Matthew L.; Krishnan, Ramya; Abelson, John; Laederach, Alain; Walter, Nils G.

    2016-01-01

    The spliceosome is the dynamic RNA-protein machine responsible for faithfully splicing introns from precursor messenger RNAs (pre-mRNAs). Many of the dynamic processes required for the proper assembly, catalytic activation, and disassembly of the spliceosome as it acts on its pre-mRNA substrate remain poorly understood, a challenge that persists for many biomolecular machines. Here, we developed a fluorescence-based Single Molecule Cluster Analysis (SiMCAn) tool to dissect the manifold conformational dynamics of a pre-mRNA through the splicing cycle. By clustering common dynamic behaviors derived from selectively blocked splicing reactions, SiMCAn was able to identify signature conformations and dynamic behaviors of multiple ATP-dependent intermediates. In addition, it identified a conformation adopted late in splicing by a 3′ splice site mutant, invoking a mechanism for substrate proofreading. SiMCAn presents a novel framework for interpreting complex single molecule behaviors that should prove widely useful for the comprehensive analysis of a plethora of dynamic cellular machines. PMID:26414013

  3. Dynamical scaling, domain-growth kinetics, and domain-wall shapes of quenched two-dimensional anisotropic XY models

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Praestgaard, Eigil

    1988-01-01

    obeys dynamical scaling and the shape of the dynamical scaling function pertaining to the structure factor is found to depend on P. Specifically, this function is described by a Porod-law behavior, q-ω, where ω increases with the wall softness. The kinetic exponent, which describes how the linear domain...... infinite to zero temperature as well as to nonzero temperatures below the ordering transition. The continuous nature of the spin variables causes the domain walls to be ‘‘soft’’ and characterized by a finite thickness. The steady-state thickness of the walls can be varied by a model parameter, P. At zero...... size varies with time, R(t)∼tn, is for both models at zero temperature determined to be n≃0.25, independent of P. At finite temperatures, the growth kinetics is found to cross over to the Lifshitz-Allen-Cahn law characterized by n≃0.50. The results support the idea of two separate zero...

  4. Comparing cluster-level dynamic treatment regimens using sequential, multiple assignment, randomized trials: Regression estimation and sample size considerations.

    Science.gov (United States)

    NeCamp, Timothy; Kilbourne, Amy; Almirall, Daniel

    2017-08-01

    Cluster-level dynamic treatment regimens can be used to guide sequential treatment decision-making at the cluster level in order to improve outcomes at the individual or patient-level. In a cluster-level dynamic treatment regimen, the treatment is potentially adapted and re-adapted over time based on changes in the cluster that could be impacted by prior intervention, including aggregate measures of the individuals or patients that compose it. Cluster-randomized sequential multiple assignment randomized trials can be used to answer multiple open questions preventing scientists from developing high-quality cluster-level dynamic treatment regimens. In a cluster-randomized sequential multiple assignment randomized trial, sequential randomizations occur at the cluster level and outcomes are observed at the individual level. This manuscript makes two contributions to the design and analysis of cluster-randomized sequential multiple assignment randomized trials. First, a weighted least squares regression approach is proposed for comparing the mean of a patient-level outcome between the cluster-level dynamic treatment regimens embedded in a sequential multiple assignment randomized trial. The regression approach facilitates the use of baseline covariates which is often critical in the analysis of cluster-level trials. Second, sample size calculators are derived for two common cluster-randomized sequential multiple assignment randomized trial designs for use when the primary aim is a between-dynamic treatment regimen comparison of the mean of a continuous patient-level outcome. The methods are motivated by the Adaptive Implementation of Effective Programs Trial which is, to our knowledge, the first-ever cluster-randomized sequential multiple assignment randomized trial in psychiatry.

  5. Using Dynamic Quantum Clustering to Analyze Hierarchically Heterogeneous Samples on the Nanoscale

    Energy Technology Data Exchange (ETDEWEB)

    Hume, Allison; /Princeton U. /SLAC

    2012-09-07

    Dynamic Quantum Clustering (DQC) is an unsupervised, high visual data mining technique. DQC was tested as an analysis method for X-ray Absorption Near Edge Structure (XANES) data from the Transmission X-ray Microscopy (TXM) group. The TXM group images hierarchically heterogeneous materials with nanoscale resolution and large field of view. XANES data consists of energy spectra for each pixel of an image. It was determined that DQC successfully identifies structure in data of this type without prior knowledge of the components in the sample. Clusters and sub-clusters clearly reflected features of the spectra that identified chemical component, chemical environment, and density in the image. DQC can also be used in conjunction with the established data analysis technique, which does require knowledge of components present.

  6. Molecular dynamics computer simulation study of Pdn (n=13, 19, 38 and 55) clusters

    International Nuclear Information System (INIS)

    Karabacak, M.; Oezcelik, S.; Guevenc, Z.B.

    2002-01-01

    Using constant-energy molecular dynamics and thermal quenching simulations, we have studied minimum-energy structures and energetics, Pd n (n=13, 19, 38, and 55) clusters employing the Voter and Chen's version of parameterisation of the embedded-atom potential surface. Isomer statistics for Pdn ( n = 13 and 19 ) is obtained from 10000 initial independent configurations, which have been generated along high-energy trajectories (chosen energy values are high enough to melt the clusters). The thermal quenching technique is employed to remove the internal kinetic energy of the clusters. The locally stable isomers are separated from metastable ones. Probabilities belonging to sampling the basins of attractions of each isomers are computed, and then, isomers' energy spectra are analyzed

  7. Semi-implicit anisotropic cosmic ray transport on an unstructured moving mesh

    Science.gov (United States)

    Pakmor, Rüdiger; Pfrommer, Christoph; Simpson, Christine M.; Kannan, Rahul; Springel, Volker

    2016-11-01

    In the interstellar medium of galaxies and the intracluster gas of galaxy clusters, the charged particles making up cosmic rays are moving almost exclusively along (but not across) magnetic field lines. The resulting anisotropic transport of cosmic rays in the form of diffusion or streaming not only affects the gas dynamics but also rearranges the magnetic fields themselves. The coupled dynamics of magnetic fields and cosmic rays can thus impact the formation and evolution of galaxies and the thermal evolution of galaxy clusters in critical ways. Numerically studying these effects requires solvers for anisotropic diffusion that are accurate, efficient, and robust, requirements that have proved difficult to be satisfied in practice. Here, we present an anisotropic diffusion solver on an unstructured moving mesh that is conservative, does not violate the entropy condition, allows for semi-implicit time integration with individual timesteps, and only requires solving a single linear system of equations per timestep. We apply our new scheme to a large number of test problems and show that it works as well or better than previous implementations. Finally, we demonstrate for a numerically demanding simulation of the formation of an isolated disc galaxy that our local time-stepping scheme reproduces the results obtained with global time-stepping at a fraction of the computational cost.

  8. Field control of anisotropic spin transport and spin helix dynamics in a modulation-doped GaAs quantum well

    Science.gov (United States)

    Anghel, S.; Passmann, F.; Singh, A.; Ruppert, C.; Poshakinskiy, A. V.; Tarasenko, S. A.; Moore, J. N.; Yusa, G.; Mano, T.; Noda, T.; Li, X.; Bristow, A. D.; Betz, M.

    2018-03-01

    Electron spin transport and dynamics are investigated in a single, high-mobility, modulation-doped, GaAs quantum well using ultrafast two-color Kerr-rotation microspectroscopy, supported by qualitative kinetic theory simulations of spin diffusion and transport. Evolution of the spins is governed by the Dresselhaus bulk and Rashba structural inversion asymmetries, which manifest as an effective magnetic field that can be extracted directly from the experimental coherent spin precession. A spin-precession length λSOI is defined as one complete precession in the effective magnetic field. It is observed that application of (i) an out-of-plane electric field changes the spin decay time and λSOI through the Rashba component of the spin-orbit coupling, (ii) an in-plane magnetic field allows for extraction of the Dresselhaus and Rashba parameters, and (iii) an in-plane electric field markedly modifies both the λSOI and diffusion coefficient.

  9. Spatial clustering in the spatio-temporal dynamics of endemic cholera

    Directory of Open Access Journals (Sweden)

    Emch Michael

    2010-03-01

    Full Text Available Abstract Background The spatio-temporal patterns of infectious diseases that are environmentally driven reflect the combined effects of transmission dynamics and environmental heterogeneity. They contain important information on different routes of transmission, including the role of environmental reservoirs. Consideration of the spatial component in infectious disease dynamics has led to insights on the propagation of fronts at the level of counties in rabies in the US, and the metapopulation behavior at the level of cities in childhood diseases such as measles in the UK, both at relatively coarse scales. As epidemiological data on individual infections become available, spatio-temporal patterns can be examined at higher resolutions. Methods The extensive spatio-temporal data set for cholera in Matlab, Bangladesh, maps the individual location of cases from 1983 to 2003. This unique record allows us to examine the spatial structure of cholera outbreaks, to address the role of primary transmission, occurring from an aquatic reservoir to the human host, and that of secondary transmission, involving a feedback between current and past levels of infection. We use Ripley's K and L indices and bootstrapping methods to evaluate the occurrence of spatial clustering in the cases during outbreaks using different temporal windows. The spatial location of cases was also confronted against the spatial location of water sources. Results Spatial clustering of cholera cases was detected at different temporal and spatial scales. Cases relative to water sources also exhibit spatial clustering. Conclusions The clustering of cases supports an important role of secondary transmission in the dynamics of cholera epidemics in Matlab, Bangladesh. The spatial clustering of cases relative to water sources, and its timing, suggests an effective role of water reservoirs during the onset of cholera outbreaks. Once primary transmission has initiated an outbreak, secondary

  10. Beyond clustering: mean-field dynamics on networks with arbitrary subgraph composition.

    Science.gov (United States)

    Ritchie, Martin; Berthouze, Luc; Kiss, Istvan Z

    2016-01-01

    Clustering is the propensity of nodes that share a common neighbour to be connected. It is ubiquitous in many networks but poses many modelling challenges. Clustering typically manifests itself by a higher than expected frequency of triangles, and this has led to the principle of constructing networks from such building blocks. This approach has been generalised to networks being constructed from a set of more exotic subgraphs. As long as these are fully connected, it is then possible to derive mean-field models that approximate epidemic dynamics well. However, there are virtually no results for non-fully connected subgraphs. In this paper, we provide a general and automated approach to deriving a set of ordinary differential equations, or mean-field model, that describes, to a high degree of accuracy, the expected values of system-level quantities, such as the prevalence of infection. Our approach offers a previously unattainable degree of control over the arrangement of subgraphs and network characteristics such as classical node degree, variance and clustering. The combination of these features makes it possible to generate families of networks with different subgraph compositions while keeping classical network metrics constant. Using our approach, we show that higher-order structure realised either through the introduction of loops of different sizes or by generating networks based on different subgraphs but with identical degree distribution and clustering, leads to non-negligible differences in epidemic dynamics.

  11. HOW SIGNIFICANT IS RADIATION PRESSURE IN THE DYNAMICS OF THE GAS AROUND YOUNG STELLAR CLUSTERS?

    Energy Technology Data Exchange (ETDEWEB)

    Silich, Sergiy; Tenorio-Tagle, Guillermo, E-mail: silich@inaoep.mx [Instituto Nacional de Astrofisica Optica y Electronica, AP 51, 72000 Puebla (Mexico)

    2013-03-01

    The impact of radiation pressure on the dynamics of the gas in the vicinity of young stellar clusters is thoroughly discussed. The radiation over the thermal/ram pressure ratio time evolution is calculated explicitly and the crucial roles of the cluster mechanical power, the strong time evolution of the ionizing photon flux, and the bolometric luminosity of the exciting cluster are stressed. It is shown that radiation has only a narrow window of opportunity to dominate the wind-driven shell dynamics. This may occur only at early stages of the bubble evolution and if the shell expands into a dusty and/or a very dense proto-cluster medium. The impact of radiation pressure on the wind-driven shell always becomes negligible after about 3 Myr. Finally, the wind-driven model results allow one to compare the model predictions with the distribution of thermal pressure derived from X-ray observations. The shape of the thermal pressure profile then allows us to distinguish between the energy and the momentum-dominated regimes of expansion and thus conclude whether radiative losses of energy or the leakage of hot gas from the bubble interior have been significant during bubble evolution.

  12. Dynamics of photoprocesses induced by femtosecond infrared radiation in free molecules and clusters of iron pentacarbonyl

    International Nuclear Information System (INIS)

    Kompanets, V. O.; Lokhman, V. N.; Poydashev, D. G.; Chekalin, S. V.; Ryabov, E. A.

    2016-01-01

    The dynamics of photoprocesses induced by femtosecond infrared radiation in free Fe(CO) 5 molecules and their clusters owing to the resonant excitation of vibrations of CO bonds in the 5-μm range has been studied. The technique of infrared excitation and photoionization probing (λ = 400 nm) by femtosecond pulses has been used in combination with time-of-flight mass spectrometry. It has been found that an infrared pulse selectively excites vibrations of CO bonds in free molecules, which results in a decrease in the yield of the Fe(CO) 5 + molecular ion. Subsequent relaxation processes have been analyzed and the results have been interpreted. The time of the energy transfer from excited vibrations to other vibrations of the molecule owing to intramolecular relaxation has been measured. The dynamics of dissociation of [Fe(CO) 5 ] n clusters irradiated by femtosecond infrared radiation has been studied. The time dependence of the yield of free molecules has been measured under different infrared laser excitation conditions. We have proposed a model that well describes the results of the experiment and makes it possible, in particular, to calculate the profile of variation of the temperature of clusters within the “evaporation ensemble” concept. The intramolecular and intracluster vibrational relaxation rates in [Fe(CO) 5 ] n clusters have been estimated.

  13. Dynamical evolution of stars and gas of young embedded stellar sub-clusters

    Science.gov (United States)

    Sills, Alison; Rieder, Steven; Scora, Jennifer; McCloskey, Jessica; Jaffa, Sarah

    2018-03-01

    We present simulations of the dynamical evolution of young embedded star clusters. Our initial conditions are directly derived from X-ray, infrared, and radio observations of local systems, and our models evolve both gas and stars simultaneously. Our regions begin with both clustered and extended distributions of stars, and a gas distribution which can include a filamentary structure in addition to gas surrounding the stellar subclusters. We find that the regions become spherical, monolithic, and smooth quite quickly, and that the dynamical evolution is dominated by the gravitational interactions between the stars. In the absence of stellar feedback, the gas moves gently out of the centre of our regions but does not have a significant impact on the motions of the stars at the earliest stages of cluster formation. Our models at later times are consistent with observations of similar regions in the local neighbourhood. We conclude that the evolution of young proto-star clusters is relatively insensitive to reasonable choices of initial conditions. Models with more realism, such as an initial population of binary and multiple stars and ongoing star formation, are the next step needed to confirm these findings.

  14. Dynamics of Brokerage Positions in Clusters: Evidence from the Spanish Foodstuffs Industry

    Directory of Open Access Journals (Sweden)

    José Antonio Belso-Martínez

    2017-02-01

    Full Text Available Shifting away from traditional approaches orientated towards the analysis of the benefits associated with brokerage, this paper provides valuable insights into the dynamics of this network position and the opportunities to innovate that it provides. Using fine grain micro data collected in a foodstuff Spanish cluster, the evolution of different brokerage profiles is analyzed in depth. It was particularly evident how firm-level characteristics (status, former mediating experience and external openness and their interactions may generate changes in the different brokerage roles over a period of time. The findings of this work partially validate expectations based on the network dynamics approaches. Status and previous mediating experience facilitate the creation of partnerships, fostering brokerage. Conversely, interaction effects demote brokerage activity at the intra-cluster level, suggesting the selective nature of brokers’ relational behavior.

  15. Dynamic quantum clustering: a tool for visual exploration of structures in data

    Energy Technology Data Exchange (ETDEWEB)

    Weinstein, Marvin; /SLAC; Horn, David; /Tel Aviv U.

    2009-10-17

    A given set of data-points in some feature space may be associated with a Schroedinger equation whose potential is determined by the data. This is known to lead to good clustering solutions. Here we extend this approach into a full-fledged dynamical scheme using a time-dependent Schroedinger equation. Moreover, we approximate this 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 or feature filtering.

  16. Dynamic Quantum Clustering: A Tool for Unsupervised Exploration of Structures in Data

    Energy Technology Data Exchange (ETDEWEB)

    Weinstein, Marvin; /SLAC; Horn, David; /Tel Aviv U.

    2008-10-30

    A given set of data-points in some feature space may be associated with a Schroedinger equation whose potential is determined by the data. This is known to lead to good clustering solutions. Here we extend this approach into a full-fledged dynamical scheme using a time-dependent Schroedinger equation with a small diffusion component. Moreover, we approximate this 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 or feature filtering.

  17. Decomposition Patterns of Three C20 Isomer Clusters: Tight-binding Molecular Dynamics Simulation

    International Nuclear Information System (INIS)

    Lee, Changhoon; Lee, Kee Hag

    2016-01-01

    We investigated the decomposition pattern of three C 20 carbon isomer clusters using molecular dynamics simulations combined with the empirical tight-binding total energy calculation method. Here, the thermodynamic behaviors show up for 2 ps. Dynamic behavior is researched by considering the change in assembly energy, bond distance distribution, total energy, and potential energy as a function of temperature. The bonds start breaking around 3300, 4500, and 5100 K for cage, bowl, and ring isomers, respectively. Once a bond is broken, strain accumulates on the neighbors of that atom, and bond cleavage is further accelerated at the neighboring atoms. Based on the snapshots of decomposition, we suggest a C 20 formation scenario from linear carbon clusters to ring, bowl, or cage isomers.

  18. Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

    Science.gov (United States)

    Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L.

    2018-02-01

    Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

  19. Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties

    Czech Academy of Sciences Publication Activity Database

    Kessler, Jiří; Dračínský, Martin; Bouř, Petr

    2013-01-01

    Roč. 34, č. 5 (2013), s. 366-371 ISSN 0192-8651 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : molecular dynamics * clusters * density functional theory * Raman optical activity * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.601, year: 2013

  20. Spin dynamics study of magnetic molecular clusters by means of Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Cianchi, L.; Del Giallo, F.; Spina, G.; Reiff, W.; Caneschi, A.

    2002-01-01

    Spin dynamics of the two magnetic molecular clusters Fe4 and Fe8, with four and eight Fe(III) ions, respectively, was studied by means of Moessbauer spectroscopy. The transition probabilities W's between the spin states of the ground multiplet were obtained from the fitting of the spectra. For the Fe4 cluster we found that, in the range from 1.38 to 77 K, the trend of W's versus the temperature corresponds to an Orbach's process involving an excited state with energy of about 160 K. For the Fe8, which, due to the presence of a low-energy excited state, could not be studied at temperatures greater than 20 K, the trend of W's in the range from 4 to 18 K seems to correspond to a direct process. The correlation functions of the magnetization were then calculated in terms of the W's. They have an exponential trend for the Fe4 cluster, while a small oscillating component is also present for the Fe8 cluster. For the first of the clusters, τ vs T (τ is the decay time of the magnetization) has a trend which, at low temperatures (T 15 K, τ follows the trend of W -1 . For the Fe8, τ follows an Arrhenius law, but with a prefactor which is smaller than the one obtained susceptibility measurements

  1. Improving estimation of kinetic parameters in dynamic force spectroscopy using cluster analysis

    Science.gov (United States)

    Yen, Chi-Fu; Sivasankar, Sanjeevi

    2018-03-01

    Dynamic Force Spectroscopy (DFS) is a widely used technique to characterize the dissociation kinetics and interaction energy landscape of receptor-ligand complexes with single-molecule resolution. In an Atomic Force Microscope (AFM)-based DFS experiment, receptor-ligand complexes, sandwiched between an AFM tip and substrate, are ruptured at different stress rates by varying the speed at which the AFM-tip and substrate are pulled away from each other. The rupture events are grouped according to their pulling speeds, and the mean force and loading rate of each group are calculated. These data are subsequently fit to established models, and energy landscape parameters such as the intrinsic off-rate (koff) and the width of the potential energy barrier (xβ) are extracted. However, due to large uncertainties in determining mean forces and loading rates of the groups, errors in the estimated koff and xβ can be substantial. Here, we demonstrate that the accuracy of fitted parameters in a DFS experiment can be dramatically improved by sorting rupture events into groups using cluster analysis instead of sorting them according to their pulling speeds. We test different clustering algorithms including Gaussian mixture, logistic regression, and K-means clustering, under conditions that closely mimic DFS experiments. Using Monte Carlo simulations, we benchmark the performance of these clustering algorithms over a wide range of koff and xβ, under different levels of thermal noise, and as a function of both the number of unbinding events and the number of pulling speeds. Our results demonstrate that cluster analysis, particularly K-means clustering, is very effective in improving the accuracy of parameter estimation, particularly when the number of unbinding events are limited and not well separated into distinct groups. Cluster analysis is easy to implement, and our performance benchmarks serve as a guide in choosing an appropriate method for DFS data analysis.

  2. Vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 clusters

    Science.gov (United States)

    Nimlos, M. R.; Young, M. A.; Bernstein, E. R.; Kelley, D. F.

    1989-11-01

    The first excited electronic state (S1) vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 van der Waals (vdW) clusters have been studied using molecular jet and time resolved emission spectroscopic techniques. The rates of intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) as functions of vibrational energy are reported for both clusters. For vibrational energy in excess of the cluster binding energy, both clusters are observed to dissociate. The dispersed emission spectra of these clusters demonstrate that aniline(Ar)1 dissociates to all energetically accessible bare molecule states and that aniline(CH4)1 dissociates selectively to only the bare molecule vibrationless state. The emission kinetics show that in the aniline(Ar)1 case, the initially excited states have nanosecond lifetimes, and intermediate cluster states have very short lifetimes. In contrast, the initially excited aniline(CH4)1 states and other intermediate vibrationally excited cluster states are very short lived (golden rule, and the density of vdW vibrational states is the most important factor in determining the relative [aniline(Ar)1 vs aniline(CH4)1] rates of IVR; (2) IVR among the vdW modes is rapid; and (3) VP rates can be calculated by a restricted vdW mode phase space Rice-Ramsberger-Kassel-Marcus theory. Since the density of vdW states is three orders of magnitude greater for aniline(CH4)1 than aniline(Ar)1 at 700 cm-1, the model predicts that IVR is slow and rate limiting in aniline(Ar)1, whereas VP is slow and rate limiting in aniline(CH4)1. The agreement of these predictions with the experimental results is very good and is discussed in detail.

  3. Dynamics in dense stellar clusters: binary black holes in galactic centres

    Science.gov (United States)

    Hemsendorf, M.

    2001-06-01

    The dynamics of a massive binary system in a galactic nucleus are presented. These are the first results from simulations applying a hybrid "self consistent field" (SCF) and direct Aarseth N-body integrator (NBODY6), which synthesises the advantages of the direct force calculation with the efficiency of the field method. The code is aimed for use on parallel architectures and is therefore applicable for collisional N-body integrations with extraordinarily large particle numbers (>105). It opens the perspective to simulate the dynamics of globular clusters with realistic collisional relaxation, as well as stellar systems surrounding a supermassive black hole in galactic nuclei.

  4. Dynamics of Dense Stellar Clusters: Binary Black Holes in Galactic Centres

    Science.gov (United States)

    Hemsendorf, M.

    The dynamics of a massive binary system in a galactic nucleus are presented. These are the first results from simulations applying a hybrid "self consistent field" (SCF) and direct Aarseth N-body integrator (NBODY6), which synthesises the advantages of the direct force calculation with the efficiency of the field method. The code is aimed for use on parallel architectures and is therefore applicable for collisional N-body integrations with extraordinarily large particle numbers (> 105). It opens the perspective to simulate the dynamics of globular clusters with realistic collisional relaxation, as well as stellar systems surrounding a supermassive black hole in galactic nuclei.

  5. Static and dynamic experimental behaviour of sands and anisotropic elasto-viscoplastic modelling in small and medium deformations

    International Nuclear Information System (INIS)

    Ezaoui, A.

    2008-06-01

    In the first part, based on various works realized in situ, the author discusses the importance of a fine characterization of soils within the field of small and medium deformations. He also presents the rheological background on which the modelling will be based. Then, he presents the experimental device, a tri-axial apparatus, 'StaDy', which allows high precision measurements, possesses force sensors comprising a piezoelectric device to generate compression and shear waves. He also presents the different static and dynamic prompting systems. He reports the experimental campaign performed on a Hostun S28 sand, and the analysis of its results. He describes the procedure of determination of the elastic tensor, and analyses and discusses the evolutions of this tensor in terms of the stress-strain status. Viscous phenomena creep and relaxation stages, and plastic behaviours are quantified and discussed with respect to the loading status, the initial granular arrangement, and the efforts applied to the material. The small deformation modelling is then presented and predictions are compared with experimental results obtained in the literature about a bus station. A general analog formulation is introduced, which associates three components (elastic, plastic and viscous). Models are calibrated with triaxial test results, and simulations of viscous and plastic phenomena allow the proposed approaches to be validated

  6. UAV-Assisted Dynamic Clustering of Wireless Sensor Networks for Crop Health Monitoring

    Directory of Open Access Journals (Sweden)

    Mohammad Ammad Uddin

    2018-02-01

    Full Text Available In this study, a crop health monitoring system is developed by using state of the art technologies including wireless sensors and Unmanned Aerial Vehicles (UAVs. Conventionally data is collected from sensor nodes either by fixed base stations or mobile sinks. Mobile sinks are considered a better choice nowadays due to their improved network coverage and energy utilization. Usually, the mobile sink is used in two ways: either it goes for random walk to find the scattered nodes and collect data, or follows a pre-defined path established by the ground network/clusters. Neither of these options is suitable in our scenario due to the factors like dynamic data collection, the strict targeted area required to be scanned, unavailability of a large number of nodes, dynamic path of the UAV, and most importantly, none of these are known in advance. The contribution of this paper is the formation of dynamic runtime clusters of field sensors by considering the above mentioned factors. Furthermore a mechanism (Bayesian classifier is defined to select best node as cluster head. The proposed system is validated through simulation results, lab and infield experiments using concept devices. The obtained results are encouraging, especially in terms of deployment time, energy, efficiency, throughput and ease of use.

  7. UAV-Assisted Dynamic Clustering of Wireless Sensor Networks for Crop Health Monitoring.

    Science.gov (United States)

    Uddin, Mohammad Ammad; Mansour, Ali; Jeune, Denis Le; Ayaz, Mohammad; Aggoune, El-Hadi M

    2018-02-11

    In this study, a crop health monitoring system is developed by using state of the art technologies including wireless sensors and Unmanned Aerial Vehicles (UAVs). Conventionally data is collected from sensor nodes either by fixed base stations or mobile sinks. Mobile sinks are considered a better choice nowadays due to their improved network coverage and energy utilization. Usually, the mobile sink is used in two ways: either it goes for random walk to find the scattered nodes and collect data, or follows a pre-defined path established by the ground network/clusters. Neither of these options is suitable in our scenario due to the factors like dynamic data collection, the strict targeted area required to be scanned, unavailability of a large number of nodes, dynamic path of the UAV, and most importantly, none of these are known in advance. The contribution of this paper is the formation of dynamic runtime clusters of field sensors by considering the above mentioned factors. Furthermore a mechanism (Bayesian classifier) is defined to select best node as cluster head. The proposed system is validated through simulation results, lab and infield experiments using concept devices. The obtained results are encouraging, especially in terms of deployment time, energy, efficiency, throughput and ease of use.

  8. Electronic relaxation dynamics of a metal atom deposited on argon cluster

    International Nuclear Information System (INIS)

    Awali, Slim

    2014-01-01

    This thesis is a study on the interaction between electronically excited atomic states and a non-reactive environment. We have theoretically and experimentally studied situations where a metal atom (Ba or K) is placed in a finite size environment (argon cluster). The presence of the medium affects the electronic levels of the atom. On the other side, the excitation of the atom induces a relaxation dynamics of the electronic energy through the deformation of the cluster. The experimental part of this work focuses on two aspects: the spectroscopy and the dynamics. In both cases a first laser electronically excites the metal atom and the second ionizes the excited system. The observable is the photoelectron spectrum recorded after photoionization and possibly information on the photoion which are also produced. This pump/probe technique, with also two lasers, provide the ultrafast dynamic when the lasers pulses used are of ultrashort (60 fs). The use of nanosecond lasers leads to resonance spectroscopic measurement, unresolved temporally, which give information on the position of the energy levels of the studied system. From a theoretical point-of-view, the excited states of M-Ar n were calculated at the ab initio level, using large core pseudo-potential to limit the active electrons of the metal to valence electrons. The study of alkali metals (potassium) is especially well adapted to this method since only one electron is active. The ab-initio calculation and a Monte-Carlo simulation where coupled to optimize the geometry of the KAr n (n = 1-10) cluster when K is in the ground state of the neutral and the ion, or excited in the 4p or 5s state. Calculations were also conducted in collaboration with B. Gervais (CIMAP, Caen) on KAr n clusters having several tens of argon atoms. Absorption spectra were also calculated. From an experimental point-of-view, we were able to characterize the excited states of potassium and barium perturbed by the clusters. In both cases a

  9. Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles

    Science.gov (United States)

    Huang, Rao; Lo, Li-Ta; Wen, Yuhua; Voter, Arthur F.; Perez, Danny

    2017-10-01

    Modern molecular-dynamics-based techniques are extremely powerful to investigate the dynamical evolution of materials. With the increase in sophistication of the simulation techniques and the ubiquity of massively parallel computing platforms, atomistic simulations now generate very large amounts of data, which have to be carefully analyzed in order to reveal key features of the underlying trajectories, including the nature and characteristics of the relevant reaction pathways. We show that clustering algorithms, such as the Perron Cluster Cluster Analysis, can provide reduced representations that greatly facilitate the interpretation of complex trajectories. To illustrate this point, clustering tools are used to identify the key kinetic steps in complex accelerated molecular dynamics trajectories exhibiting shape fluctuations in Pt nanoclusters. This analysis provides an easily interpretable coarse representation of the reaction pathways in terms of a handful of clusters, in contrast to the raw trajectory that contains thousands of unique states and tens of thousands of transitions.

  10. Optimal clustering of kinetic patterns on malignant breast lesions: comparison between K-means clustering and three-time-points method in dynamic contrast-enhanced MRI.

    Science.gov (United States)

    Lee, S H; Kim, J H; Kim, K G; Park, J S; Park, S J; Moon, W K

    2007-01-01

    Dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is useful for breast cancer diagnosis and treatment planning. Nevertheless, due to the multi-temporal nature of DCE-MRI data, the assessment of early stage breast cancer is a challenging task. In this study, we applied an unsupervised clustering approach and cluster validation technique to the analysis of malignant intral-tumoral kinetic curves in DCE-MRI. K-means cluster analysis was performed from real world malignant tumor cases and the data were transformed into an optimal number of reference patterns representative each cluster. The optimal number of clusters was estimated by a cluster validation index, which was calculated with the ratio of inter-class scatter to intra-class scatter. This technique then classifies tumor specific patterns from a given MRI data by measuring the vector distances from the reference pattern set, and compared the result from the k-means clustering with that from three-time-points (3TP) method, which represents a clinical standard protocol for analysis of tumor kinetics. The evaluation of twenty five cases indicates that optimal k-means clustering reflects partitioning intra-tumoral kinetic patterns better than the 3TP technique. This method will greatly enhance the capability of radiologists to identify and characterize internal kinetic heterogeneity and vascular change of a tumor in breast DCE-MRI.

  11. Molecular dynamics simulations of nucleation and phase transitions in molecular clusters of hexafluorides

    International Nuclear Information System (INIS)

    Xu, S.

    1993-01-01

    Molecular dynamics simulations of nucleation and phase transitions in TeF 6 and SeF 6 clusters containing 100-350 molecules were carried out. Simulations successfully reproduced the crystalline structures observed in electron diffraction studies of large clusters (containing about 10 4 molecules) of the same materials. When the clusters were cooled, they spontaneously underwent the same bcc the monoclinic phase transition in simulations as in experiment, despite the million-fold difference in the time scales involved. Other transitions observed included melting and freezing. Several new techniques based on molecular translation and orientation were introduced to identify different condensed phases, to study nucleation and phase transitions, and to define characteristic temperatures of transitions. The solid-state transition temperatures decreased with cluster size in the same way as did the melting temperature, in that the depression of transition temperature was inversely proportional to the cluster radius. Rotational melting temperatures, as inferred from the rotational diffusion of molecules, coincided with those of the solid-state transition. Nucleation in liquid-solid and bcc-monoclinic transitions started in the interior of clusters on cooling, and at the surface on heating. Transition temperatures on cooling were always lower than those on heating due to the barriers to nucleation. Linear growth rates of nuclei in freezing were an order of magnitude lower than those in the bcc-monoclinic transition. Revealing evidence about the molecular behavior associated with phase changes was found. Simulations showed the formation of the actual transition complexes along the transition pathway, i.e., the critical nuclei of the new phase. These nuclei, consisting of a few dozen molecules, were distinguishable in the midst of the surrounding matter

  12. Icosahedron-fcc transition size by molecular dynamics simulation of Lennard-Jones clusters at a finite temperature.

    Science.gov (United States)

    Ikeshoji, T; Torchet, G; de Feraudy, M F; Koga, K

    2001-03-01

    We studied finite-temperature ensembles of solid clusters produced by cooling liquid droplets either by evaporation or by a thermostat through a molecular dynamics calculation using the Lennard-Jones potential. The ensembles consist of either single or binary component clusters with 25% of the atoms 8% smaller in diameter than the other 75%. These clusters (380 clusters in total) exhibit various structures in the size range of n=160-2200, where n is the number of atoms in a cluster. For increasing size, the clusters show a gradual transition from icosahedral to a variety of structures: decahedral, face centered cubic, a small amount of hexagonal, and some icosahedral structures. They are asymmetrical or faulted. Electron diffraction patterns calculated with average structure factors of clusters after grouping them into several size regions are very similar to those experimentally observed. The size transition is around n=450 for single component clusters whatever the cooling process, evaporation or thermostat. This size is smaller than the experimental transition size estimated for argon clusters formed in a supersonic expansion. The transition size for binary component clusters is around n=600 for evaporative cooling, and larger for thermostatic cooling. The larger transition size found for the binary component clusters is consistent with the large icosahedral Au-Fe and Au-Cu alloy clusters observed experimentally.

  13. Automatic segmentation of dynamic neuroreceptor single-photon emission tomography images using fuzzy clustering

    International Nuclear Information System (INIS)

    Acton, P.D.; Pilowsky, L.S.; Kung, H.F.; Ell, P.J.

    1999-01-01

    The segmentation of medical images is one of the most important steps in the analysis and quantification of imaging data. However, partial volume artefacts make accurate tissue boundary definition difficult, particularly for images with lower resolution commonly used in nuclear medicine. In single-photon emission tomography (SPET) neuroreceptor studies, areas of specific binding are usually delineated by manually drawing regions of interest (ROIs), a time-consuming and subjective process. This paper applies the technique of fuzzy c-means clustering (FCM) to automatically segment dynamic neuroreceptor SPET images. Fuzzy clustering was tested using a realistic, computer-generated, dynamic SPET phantom derived from segmenting an MR image of an anthropomorphic brain phantom. Also, the utility of applying FCM to real clinical data was assessed by comparison against conventional ROI analysis of iodine-123 iodobenzamide (IBZM) binding to dopamine D 2 /D 3 receptors in the brains of humans. In addition, a further test of the methodology was assessed by applying FCM segmentation to [ 123 I]IDAM images (5-iodo-2-[[2-2-[(dimethylamino)methyl]phenyl]thio] benzyl alcohol) of serotonin transporters in non-human primates. In the simulated dynamic SPET phantom, over a wide range of counts and ratios of specific binding to background, FCM correlated very strongly with the true counts (correlation coefficient r 2 >0.99, P 123 I]IBZM data comparable with manual ROI analysis, with the binding ratios derived from both methods significantly correlated (r 2 =0.83, P<0.0001). Fuzzy clustering is a powerful tool for the automatic, unsupervised segmentation of dynamic neuroreceptor SPET images. Where other automated techniques fail completely, and manual ROI definition would be highly subjective, FCM is capable of segmenting noisy images in a robust and repeatable manner. (orig.)

  14. Exploring the expansion dynamics of the universe from galaxy cluster surveys

    Science.gov (United States)

    Wang, Deng; Meng, Xin-He

    2017-12-01

    To understand the expansion dynamics of the universe from galaxy cluster scales, using the angular diameter distance (ADD) data from two different galaxy cluster surveys, we constrain four cosmological models to explore the underlying value of H0 and employ the model-independent Gaussian Processes to investigate the evolution of the equation of state of dark energy. The ADD data in the X-ray bands consists of two samples covering the redshift ranges [0.023, 0.784] and [0.14, 0.89], respectively. We find that: (i) For these two samples, the obtained values of H0 are more consistent with the recent local observation by Riess et al. than the global measurement by the Planck Collaboration, and the ΛCDM model is still preferred utilizing the information criterions; (ii) For the first sample, there is no evidence of dynamical dark energy (DDE) at the 2 σ confidence level (CL); (iii) For the second one, the reconstructed equation of state of dark energy exhibits a phantom-crossing behavior in the relatively low redshift range over the 2 σ CL, which gives a hint that the late-time universe may be actually dominated by the DDE from galaxy cluster scales; (iv) By adding a combination of Type Ia Supernovae, cosmic chronometers and Planck-2015 shift parameter and HII galaxy measurements into both ADD samples, the DDE exists evidently over the 2 σ CL.

  15. On helium cluster dynamics in tungsten plasma facing components of fusion devices

    International Nuclear Information System (INIS)

    Krasheninnikov, S.I.; Faney, T.; Wirth, B.D.

    2014-01-01

    This paper describes the dynamics of helium clustering behaviour within either a nanometer-sized tendril of fuzz, or a half-space domain, as predicted by a reaction–diffusion model. This analysis has identified a dimensionless parameter, P Δ , which is a balance of the reaction and diffusion actions of insoluble He in a metal matrix and which governs the self-trapping effects of He into growing bubbles within a tendril. The impact of He self-trapping, as well as trapping caused by pre-existing traps in the form of lattice defects or clusters of impurities, within a half-space domain results in the formation of a densely packed layer of nanometer-sized bubbles with high number density. This prediction is consistent with available experimental observations in which a dense zone of helium bubbles is observed in tungsten, which are compared to estimates of the layer characteristics. Direct numerical simulation of the reaction–diffusion cluster dynamics supports the analysis presented here. (paper)

  16. Real-time dynamics of RNA Polymerase II clustering in live human cells

    Science.gov (United States)

    Cisse, Ibrahim

    2014-03-01

    Transcription is the first step in the central dogma of molecular biology, when genetic information encoded on DNA is made into messenger RNA. How this fundamental process occurs within living cells (in vivo) is poorly understood,[1] despite extensive biochemical characterizations with isolated biomolecules (in vitro). For high-order organisms, like humans, transcription is reported to be spatially compartmentalized in nuclear foci consisting of clusters of RNA Polymerase II, the enzyme responsible for synthesizing all messenger RNAs. However, little is known of when these foci assemble or their relative stability. We developed an approach based on photo-activation localization microscopy (PALM) combined with a temporal correlation analysis, which we refer to as tcPALM. The tcPALM method enables the real-time characterization of biomolecular spatiotemporal organization, with single-molecule sensitivity, directly in living cells.[2] Using tcPALM, we observed that RNA Polymerase II clusters form transiently, with an average lifetime of 5.1 (+/- 0.4) seconds. Stimuli affecting transcription regulation yielded orders of magnitude changes in the dynamics of the polymerase clusters, implying that clustering is regulated and plays a role in the cells ability to effect rapid response to external signals. Our results suggest that the transient crowding of enzymes may aid in rate-limiting steps of genome regulation.

  17. VR-Cluster: Dynamic Migration for Resource Fragmentation Problem in Virtual Router Platform

    Directory of Open Access Journals (Sweden)

    Xianming Gao

    2016-01-01

    Full Text Available Network virtualization technology is regarded as one of gradual schemes to network architecture evolution. With the development of network functions virtualization, operators make lots of effort to achieve router virtualization by using general servers. In order to ensure high performance, virtual router platform usually adopts a cluster of general servers, which can be also regarded as a special cloud computing environment. However, due to frequent creation and deletion of router instances, it may generate lots of resource fragmentation to prevent platform from establishing new router instances. In order to solve “resource fragmentation problem,” we firstly propose VR-Cluster, which introduces two extra function planes including switching plane and resource management plane. Switching plane is mainly used to support seamless migration of router instances without packet loss; resource management plane can dynamically move router instances from one server to another server by using VR-mapping algorithms. Besides, three VR-mapping algorithms including first-fit mapping algorithm, best-fit mapping algorithm, and worst-fit mapping algorithm are proposed based on VR-Cluster. At last, we establish VR-Cluster protosystem by using general X86 servers, evaluate its migration time, and further analyze advantages and disadvantages of our proposed VR-mapping algorithms to solve resource fragmentation problem.

  18. Cluster formation restricts dynamic nuclear polarization of xenon in solid mixtures.

    Science.gov (United States)

    Kuzma, N N; Pourfathi, M; Kara, H; Manasseh, P; Ghosh, R K; Ardenkjaer-Larsen, J H; Kadlecek, S J; Rizi, R R

    2012-09-14

    During dynamic nuclear polarization (DNP) at 1.5 K and 5 T, (129)Xe nuclear magnetic resonance (NMR) spectra of a homogeneous xenon/1-propanol/trityl-radical solid mixture exhibit a single peak, broadened by (1)H neighbors. A second peak appears upon annealing for several hours at 125 K. Its characteristic width and chemical shift indicate the presence of spontaneously formed pure Xe clusters. Microwave irradiation at the appropriate frequencies can bring both peaks to either positive or negative polarization. The peculiar time evolution of (129)Xe polarization in pure Xe clusters during DNP can be modelled as an interplay of spin diffusion and T(1) relaxation. Our simple spherical-cluster model offers a sensitive tool to evaluate major DNP parameters in situ, revealing a severe spin-diffusion bottleneck at the cluster boundaries and a significant sample overheating due to microwave irradiation. Subsequent DNP system modifications designed to reduce the overheating resulted in four-fold increase of (129)Xe polarization, from 5.3% to 21%.

  19. Energetics and dynamics of the neutralization of clustered ions in ammonia and water vapour

    International Nuclear Information System (INIS)

    Sennhauser, E.S.; Armstrong, D.A.

    1978-01-01

    The energetics and dynamics of neutralization reactions of clustered ions in ammonia and water vapour have been analysed. Neutralization rate coefficients were calculated for the ions in ammonia and for H + .(H 2 O)sub(n) combining with various clustered anions in water vapour up to densities of 4 x 10 19 molecule cm -3 at 390 K. In the case of ammonia, calculations were also performed at 298 K. For all systems, fractional contributions of the neutralization coefficients for specific cluster sizes to the overall coefficient αsub(eff) were evaluated. The computed value of αsub(eff) for NH 3 was in reasonable agreement with experimental data in the [NH 3 ] range 0.3 to 4 x 10 19 molecule cm -3 , and general trends stemming from the effects of increasing ion mass were pointed out. Calculations of energies of individual cluster sizes indicate possible neutralization reaction mechanisms. With some exception, proton transfer is the only possible path and no H atoms should be formed. This is in general agreement with literature results for water vapour at approximately 390 K and with [H 2 O] >= 2 x 10 x 10 19 molecule cm -3 . (author)

  20. Anisotropic nonequilibrium hydrodynamic attractor

    Science.gov (United States)

    Strickland, Michael; Noronha, Jorge; Denicol, Gabriel S.

    2018-02-01

    We determine the dynamical attractors associated with anisotropic hydrodynamics (aHydro) and the DNMR equations for a 0 +1 d conformal system using kinetic theory in the relaxation time approximation. We compare our results to the nonequilibrium attractor obtained from the exact solution of the 0 +1 d conformal Boltzmann equation, the Navier-Stokes theory, and the second-order Mueller-Israel-Stewart theory. We demonstrate that the aHydro attractor equation resums an infinite number of terms in the inverse Reynolds number. The resulting resummed aHydro attractor possesses a positive longitudinal-to-transverse pressure ratio and is virtually indistinguishable from the exact attractor. This suggests that an optimized hydrodynamic treatment of kinetic theory involves a resummation not only in gradients (Knudsen number) but also in the inverse Reynolds number. We also demonstrate that the DNMR result provides a better approximation of the exact kinetic theory attractor than the Mueller-Israel-Stewart theory. Finally, we introduce a new method for obtaining approximate aHydro equations which relies solely on an expansion in the inverse Reynolds number. We then carry this expansion out to the third order, and compare these third-order results to the exact kinetic theory solution.

  1. Dynamics of the intermediate-age elliptical LMC cluster NGC 1978

    Science.gov (United States)

    Fischer, Philippe; Welch, Douglas L.; Mateo, Mario

    1992-01-01

    BV CCD images and echelle spectra of 35 giants are used to examine the internal dynamics of the elliptical LMC cluster NGC 1978. Projected radii for the giants range from 1.4 to 20.0, and the mean estimated stellar velocity uncertainty is 1.6 km/s; the mean cluster velocity is 293.3 +/-1.0 km/s. BV profiles were constructed to projected radii of greater than 100 pc. The single-mass models provided better agreement with the surface photometry. Among multimass models, there is slightly better agreement seen for the models with shallow mass functions. The nonrotating model was found to be in better agreement with the kinematic data, although the rotating models could not be completely ruled out. No morphological evidence for a merger was found.

  2. Clustering, advection, and patterns in a model of population dynamics with neighborhood-dependent rates

    Science.gov (United States)

    Hernández-García, Emilio; López, Cristóbal

    2004-07-01

    We introduce a simple model of population dynamics which considers reproducing individuals or particles with birth and death rates depending on the number of other individuals in their neighborhood. The model shows an inhomogeneous quasistationary pattern with many different clusters of particles arranged periodically in space. We derive the equation for the macroscopic density of particles, perform a linear stability analysis on it, and show that there is a finite-wavelength instability leading to pattern formation. This is responsible for the approximate periodicity with which the clusters of particles arrange in the microscopic model. In addition, we consider the population when immersed in a fluid medium and analyze the influence of advection on global properties of the model, such as the average number of individuals.

  3. Dynamic connectivity algorithms for Monte Carlo simulations of the random-cluster model

    Science.gov (United States)

    Metin Elçi, Eren; Weigel, Martin

    2014-05-01

    We review Sweeny's algorithm for Monte Carlo simulations of the random cluster model. Straightforward implementations suffer from the problem of computational critical slowing down, where the computational effort per edge operation scales with a power of the system size. By using a tailored dynamic connectivity algorithm we are able to perform all operations with a poly-logarithmic computational effort. This approach is shown to be efficient in keeping online connectivity information and is of use for a number of applications also beyond cluster-update simulations, for instance in monitoring droplet shape transitions. As the handling of the relevant data structures is non-trivial, we provide a Python module with a full implementation for future reference.

  4. Dynamic connectivity algorithms for Monte Carlo simulations of the random-cluster model

    International Nuclear Information System (INIS)

    Elçi, Eren Metin; Weigel, Martin

    2014-01-01

    We review Sweeny's algorithm for Monte Carlo simulations of the random cluster model. Straightforward implementations suffer from the problem of computational critical slowing down, where the computational effort per edge operation scales with a power of the system size. By using a tailored dynamic connectivity algorithm we are able to perform all operations with a poly-logarithmic computational effort. This approach is shown to be efficient in keeping online connectivity information and is of use for a number of applications also beyond cluster-update simulations, for instance in monitoring droplet shape transitions. As the handling of the relevant data structures is non-trivial, we provide a Python module with a full implementation for future reference.

  5. Resistivity recovery simulations of electron-irradiated iron: Kinetic Monte Carlo versus cluster dynamics

    International Nuclear Information System (INIS)

    Dalla Torre, J.; Fu, C.-C.; Willaime, F.; Barbu, A.; Bocquet, J.-L.

    2006-01-01

    The isochronal resistivity recovery in high purity α-iron irradiated by electrons was successfully reproduced by a multiscale modelling approach. The stability and mobility of small self-defect clusters determined by ab initio methods were used as input data for an event based Kinetic Monte Carlo (KMC) model, used to explore the defect population evolution during the annealing and to extract the resistivity recovery peaks. In this paper, we investigate the possibility of using an efficient mesoscale model, the Cluster Dynamics (CD), instead of KMC in this approach. The comparison between the two methods for various CD initial conditions shows the importance of spatial correlations between defects, which are neglected in the CD model. However, using appropriate initial conditions, e.g. starting from the concentration of Frenkel pairs after the uncorrelated stage I E , the CD model captures the main characteristics of subsequent defect population evolution, and it can therefore be used for fast and semi-quantitative investigations

  6. Vibrational dynamics of aniline (N2)1 clusters in their first excited singlet state

    Science.gov (United States)

    Hineman, M. F.; Kim, S. K.; Bernstein, E. R.; Kelley, D. F.

    1992-04-01

    The first excited singlet state S1 vibrational dynamics of aniline(N2)1 clusters are studied and compared to previous results on aniline(CH4)1 and aniline(Ar)1. Intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) rates fall between the two extremes of the CH4 (fast IVR, slow VP) and Ar (slow IVR, fast VP) cluster results as is predicted by a serial IVR/VP model using Fermi's golden rule to describe IVR processes and a restricted Rice-Ramsperger-Kassel-Marcus (RRKM) theory to describe unimolecular VP rates. The density of states is the most important factor determining the rates. Two product states, 00 and 10b1, of bare aniline and one intermediate state ˜(00) in the overall IVR/VP process are observed and time resolved measurements are obtained for the 000 and ˜(000) transitions. The results are modeled with the serial mechanism described above.

  7. Molecular dynamics study of B18H22 cluster implantation into silicon

    International Nuclear Information System (INIS)

    Marques, Luis A.; Pelaz, Lourdes; Santos, Ivan

    2007-01-01

    We have carried out molecular dynamics simulations of monatomic B and octadecaborane cluster implantations into Si in order to make a comparative study and determine the advantages and drawbacks of each approach when used to fabricate shallow junctions. We have simulated a total of 1000 cascades of monatomic boron and an equivalent of 56 cascades of octadecaborane in order to have good statistics. We have obtained and analyzed the doping profiles and the amount and morphology of the damage produced within the target. Our simulation results indicate that the use of octadecaborane clusters for the implantation process shows several advantages with respect to monatomic B beams, mainly related to the reduction of channeling and the lower amount of residual damage at the end of range

  8. High dynamics of rDNA cluster location in kissing bug holocentric chromosomes (Triatominae, Heteroptera).

    Science.gov (United States)

    Panzera, Y; Pita, S; Ferreiro, M J; Ferrandis, I; Lages, C; Pérez, R; Silva, A E; Guerra, M; Panzera, F

    2012-01-01

    In this paper, we determine by fluorescent in situ hybridization the variability in the chromosomal location of 45S rDNA clusters in 38 species belonging to 7 genera of the Triatominae subfamily, using a triatomine-specific 18S rDNA probe. Our results show a striking variability at the inter- and intraspecific level, never reported so far in holocentric chromosomes, revealing the extraordinary genomic dynamics that occurred during the evolution in this group of insects. Our results also demonstrate that the chromosomal position of rDNA clusters is an important marker to disclose chromosomal differentiation in species karyotypically homogenous in their chromosome number. Copyright © 2012 S. Karger AG, Basel.

  9. Anisotropic light diffusion: an oxymoron?

    Science.gov (United States)

    Kienle, Alwin

    2007-05-25

    Light propagation in anisotropic random media is studied in the steady-state and time domains. Solutions of the anisotropic diffusion equation are compared to results obtained by the Monte Carlo method. Contrary to what has been reported so far, we find that even in the "diffusive regime" the anisotropic diffusion equation does not describe correctly the light propagation in anisotropic random media.

  10. Dynamic PROOF clusters with PoD: architecture and user experience

    Science.gov (United States)

    Manafov, Anar

    2011-12-01

    PROOF on Demand (PoD) is a tool-set, which sets up a PROOF cluster on any resource management system. PoD is a user oriented product with an easy to use GUI and a command-line interface. It is fully automated. No administrative privileges or special knowledge is required to use it. PoD utilizes a plug-in system, to use different job submission front-ends. The current PoD distribution is shipped with LSF, Torque (PBS), Grid Engine, Condor, gLite, and SSH plug-ins. The product is to be extended. We therefore plan to implement a plug-in for AliEn Grid as well. Recently developed algorithms made it possible to efficiently maintain two types of connections: packet-forwarding and native PROOF connections. This helps to properly handle most kinds of workers, with and without firewalls. PoD maintains the PROOF environment automatically and, for example, prevents resource misusage in case when workers idle for too long. As PoD matures as a product and provides more plug-ins, it's used as a standard for setting up dynamic PROOF clusters in many different institutions. The GSI Analysis Facility (GSIAF) is in production since 2007. The static PROOF cluster has been phased out end of 2009. GSIAF is now completely based on PoD. Users create private dynamic PROOF clusters on the general purpose batch farm. This provides an easier resource sharing between interactive local batch and Grid usage. The main user communities are FAIR and ALICE.

  11. Evolution of rotating star clusters at the inelastic-collision stage. II. Dynamics of a disk of gas and stars

    International Nuclear Information System (INIS)

    Romanova, M.M.

    1985-01-01

    The dynamics of a gas--star disk embedded in a dense, mildly oblate (flattening epsilon-c or approx. =0.2--0.3 the stable disk will survive for at least half the cluster evolution time. The possibility of a thin disk of stars existing inside a dense star cluster is considered. For small epsilon-c and for disk member stars having > or approx. =0.04 the mass of the cluster members, collisions between cluster and disk stars will have no effect on the disk evolution prior to instability

  12. Molecular dynamics simulations of the interaction between 60 deg. dislocation and self-interstitial cluster in silicon

    International Nuclear Information System (INIS)

    Jing Yuhang; Meng Qingyuan; Zhao Wei

    2009-01-01

    Molecular dynamics simulations are performed to investigate the interaction between 60 deg. shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I 4 cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I 4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60 deg. dislocation from the I 4 cluster decreases as the temperature increases in the models.

  13. Biophysical controls on cluster dynamics and architectural differentiation of microbial biofilms in contrasting flow environments

    Science.gov (United States)

    Hödl, Iris; Mari, Lorenzo; Bertuzzo, Enrico; Suweis, Samir; Besemer, Katharina; Rinaldo, Andrea; Battin, Tom J

    2014-01-01

    Ecology, with a traditional focus on plants and animals, seeks to understand the mechanisms underlying structure and dynamics of communities. In microbial ecology, the focus is changing from planktonic communities to attached biofilms that dominate microbial life in numerous systems. Therefore, interest in the structure and function of biofilms is on the rise. Biofilms can form reproducible physical structures (i.e. architecture) at the millimetre-scale, which are central to their functioning. However, the spatial dynamics of the clusters conferring physical structure to biofilms remains often elusive. By experimenting with complex microbial communities forming biofilms in contrasting hydrodynamic microenvironments in stream mesocosms, we show that morphogenesis results in ‘ripple-like’ and ‘star-like’ architectures – as they have also been reported from monospecies bacterial biofilms, for instance. To explore the potential contribution of demographic processes to these architectures, we propose a size-structured population model to simulate the dynamics of biofilm growth and cluster size distribution. Our findings establish that basic physical and demographic processes are key forces that shape apparently universal biofilm architectures as they occur in diverse microbial but also in single-species bacterial biofilms. PMID:23879839

  14. Dynamics of water clusters confined in proteins: a molecular dynamics simulation study of interfacial waters in a dimeric hemoglobin.

    Science.gov (United States)

    Gnanasekaran, Ramachandran; Xu, Yao; Leitner, David M

    2010-12-23

    Water confined in proteins exhibits dynamics distinct from the dynamics of water in the bulk or near the surface of a biomolecule. We examine the water dynamics at the interface of the two globules of the homodimeric hemoglobin from Scapharca inaequivalvis (HbI) by molecular dynamics (MD) simulations, with focus on water-protein hydrogen bond lifetimes and rotational anisotropy of the interfacial waters. We find that relaxation of the waters at the interface of both deoxy- and oxy-HbI, which contain a cluster of 17 and 11 interfacial waters, respectively, is well described by stretched exponentials with exponents from 0.1 to 0.6 and relaxation times of tens to thousands of picoseconds. The interfacial water molecules of oxy-HbI exhibit slower rotational relaxation and hydrogen bond rearrangement than those of deoxy-HbI, consistent with an allosteric transition from unliganded to liganded conformers involving the expulsion of several water molecules from the interface. Though the interfacial waters are translationally and rotationally static on the picosecond time scale, they contribute to fast communication between the globules via vibrations. We find that the interfacial waters enhance vibrational energy transport across the interface by ≈10%.

  15. Dynamics of voids and clusters and fluctuations in the cosmic background radiation

    International Nuclear Information System (INIS)

    Salpeter, E.E.

    1983-01-01

    The author summarizes briefly calculations on spherically symmetric models without dissipation for the dynamical development of large voids and galaxy (super)clusters from small underdensities and overdensities, respectively, at the recombination era. Implications are mentioned and conjectures for more complex geometries are discussed. He infers the density fluctuations which must have been present just after the recombination era to produce some present-day configuration. Fluctuations in the present-day cosmic background radiation are related to this and their inferred amplitude depends very strongly on the present-day value of the cosmological density parameter. The relation to observed upper limits on these fluctuations are discussed. (Auth.)

  16. Internal dynamics of the radio-halo cluster A2219: A multi-wavelength analysis

    Science.gov (United States)

    Boschin, W.; Girardi, M.; Barrena, R.; Biviano, A.; Feretti, L.; Ramella, M.

    2004-03-01

    We present the results of the dynamical analysis of the rich, hot, and X-ray very luminous galaxy cluster A2219, containing a powerful diffuse radio-halo. Our analysis is based on new redshift data for 27 galaxies in the cluster region, measured from spectra obtained at the TNG, with the addition of other 105 galaxies recovered from reduction of CFHT archive data in a cluster region of ˜5 arcmin radius (˜ 0.8 h-1 Mpc ; at the cluster distance) centered on the cD galaxy. The investigation of the dynamical status is also performed using X-ray data stored in the Chandra archive. Further, valuable information comes from other bands - optical photometric, infrared, and radio data - which are analyzed and/or discussed, too. We find that A2219 appears as a peak in the velocity space at z=0.225, and select 113 cluster members. We compute a high value for the line-of-sight velocity dispersion, σv= 1438+109-86 km s-1, consistent with the high average X-ray temperature of 10.3 keV. If dynamical equilibrium is assumed, the virial theorem leads to M˜2.8× 1015 M⊙ ;sun for the global mass within the virial region. However, further investigation based on both optical and X-ray data shows significant signs of a young dynamical status. In fact, we find strong evidence for the elongation of the cluster in the SE-NW direction coupled with a significant velocity gradient, as well as for the presence of substructure both in optical data and X-ray data. Moreover, we point out the presence of several active galaxies. We discuss the results of our multi-wavelength investigation suggesting a complex merging scenario where the main, original structure is subject to an ongoing merger with a few clumps aligned in a filament in the foreground oriented in an oblique direction with respect to the line-of-sight. Our conclusion supports the view of the connection between extended radio emission and merging phenomena in galaxy clusters. Based on observations made on the island of La Palma

  17. Detecting brain dynamics during resting state: a tensor based evolutionary clustering approach

    Science.gov (United States)

    Al-sharoa, Esraa; Al-khassaweneh, Mahmood; Aviyente, Selin

    2017-08-01

    Human brain is a complex network with connections across different regions. Understanding the functional connectivity (FC) of the brain is important both during resting state and task; as disruptions in connectivity patterns are indicators of different psychopathological and neurological diseases. In this work, we study the resting state functional connectivity networks (FCNs) of the brain from fMRI BOLD signals. Recent studies have shown that FCNs are dynamic even during resting state and understanding the temporal dynamics of FCNs is important for differentiating between different conditions. Therefore, it is important to develop algorithms to track the dynamic formation and dissociation of FCNs of the brain during resting state. In this paper, we propose a two step tensor based community detection algorithm to identify and track the brain network community structure across time. First, we introduce an information-theoretic function to reduce the dynamic FCN and identify the time points that are similar topologically to combine them into a tensor. These time points will be used to identify the different FC states. Second, a tensor based spectral clustering approach is developed to identify the community structure of the constructed tensors. The proposed algorithm applies Tucker decomposition to the constructed tensors and extract the orthogonal factor matrices along the connectivity mode to determine the common subspace within each FC state. The detected community structure is summarized and described as FC states. The results illustrate the dynamic structure of resting state networks (RSNs), including the default mode network, somatomotor network, subcortical network and visual network.

  18. Minimally coupled scalar field cosmology in anisotropic ...

    Indian Academy of Sciences (India)

    We study a spatially homogeneous and anisotropic cosmological model in the Einstein gravitational theory with a minimally coupled scalar field. We consider a non-interacting combination of scalar field and perfect fluid as the source of matter components which are separately conserved. The dynamics of cosmic scalar ...

  19. Algebraic solution of an anisotropic nonquadratic potential

    International Nuclear Information System (INIS)

    Boschi Filho, H.; Vaidya, A.N.

    1990-06-01

    We show that an anisotropic nonquadratic potential, for which a path integral treatment had been recently discussed in the literature, possesses the (SO(2,1)xSO(2,1))ΛSO(2,1) dynamical symmetry and constructs its Green function algebraically. A particular case which generates new eigenvalues and eigenfunctions is also discussed. (author). 11 refs

  20. The method of images for anisotropic media

    International Nuclear Information System (INIS)

    Iosilevskii, Ya.A.

    1978-01-01

    The method of images is suggested to construct a scalar macroscopic field (dynamic or static) of a point source in an anisotropic half-space or flat slab. The field is found for an arbitrary orientation of the boundaries with respect to the crystallographic axes. (Auth.)

  1. Characterization and application of microearthquake clusters to problems of scaling, fault zone dynamics, and seismic monitoring at Parkfield, California

    Energy Technology Data Exchange (ETDEWEB)

    Nadeau, Robert Michael [Univ. of California, Berkeley, CA (United States)

    1995-10-01

    This document contains information about the characterization and application of microearthquake clusters and fault zone dynamics. Topics discussed include: Seismological studies; fault-zone dynamics; periodic recurrence; scaling of microearthquakes to large earthquakes; implications of fault mechanics and seismic hazards; and wave propagation and temporal changes.

  2. Dynamics of fragment capture for cluster structures of weakly bound 7Li

    Directory of Open Access Journals (Sweden)

    Shrivastava A.

    2013-12-01

    Full Text Available Role of cluster structures of 7Li on reaction dynamics have been studied by performing exclusive measurements of prompt-γ rays from residues with scattered particles at energy, E/Vb = 1.6, with 198Pt target. Yields of the residues resulting after capture of t and 4,5,6He, corresponding to different excitation energies of the composite system were estimated. The results were compared with three body classical-dynamical model for breakup fusion, constrained by the measured fusion, α and t capture cross-sections. The cross-section of residues from capture of α and t agreed well with the prediction of the model showing dominance of the two step process - breakup fusion, while those from tightly bound 6He showed massive transfer to be the dominant mechanism.

  3. Anisotropic ray trace

    Science.gov (United States)

    Lam, Wai Sze Tiffany

    Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for

  4. Molecular dynamics simulations of 1-ethyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide clusters and nanodrops.

    Science.gov (United States)

    Prince, Benjamin D; Tiruppathi, Pavithra; Bemish, Raymond J; Chiu, Yu-Hui; Maginn, Edward J

    2015-01-15

    Atomistic molecular dynamics simulations of small clusters and nanodroplets of the ionic liquid 1-ethyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide [EMIM-Tf2N] subject to an external electric field were performed. A 125-ion-pair droplet was found to be nearly spherical with an isotropic distribution of cations and anions under vacuum conditions. The droplet was subjected to external electric fields of varying strength, and ion emission events were observed. The initially spherical droplet is elongated along the electric field axis, resulting in nonspherical behavior and increased net dipole values after the application of strong electric fields. The critical electric field required for ion field emission was determined to be 0.985 V/nm, in agreement with the experimental value of 1.0 V/nm. Excellent agreement is found in the prediction of ionic emission products for a neutral 125-ion-pair droplet of the ionic liquid at an electric field strength of 1.2 V/nm when compared to the results of two independent experiments. Small ionic liquid clusters were investigated with respect to their thermal stabilities and were found to be thermally stable well above room temperature. The role of electric fields in the dissociation of small charged ion clusters was also investigated.

  5. Automatic detection of arterial input function in dynamic contrast enhanced MRI based on affinity propagation clustering.

    Science.gov (United States)

    Shi, Lin; Wang, Defeng; Liu, Wen; Fang, Kui; Wang, Yi-Xiang J; Huang, Wenhua; King, Ann D; Heng, Pheng Ann; Ahuja, Anil T

    2014-05-01

    To automatically and robustly detect the arterial input function (AIF) with high detection accuracy and low computational cost in dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). In this study, we developed an automatic AIF detection method using an accelerated version (Fast-AP) of affinity propagation (AP) clustering. The validity of this Fast-AP-based method was proved on two DCE-MRI datasets, i.e., rat kidney and human head and neck. The detailed AIF detection performance of this proposed method was assessed in comparison with other clustering-based methods, namely original AP and K-means, as well as the manual AIF detection method. Both the automatic AP- and Fast-AP-based methods achieved satisfactory AIF detection accuracy, but the computational cost of Fast-AP could be reduced by 64.37-92.10% on rat dataset and 73.18-90.18% on human dataset compared with the cost of AP. The K-means yielded the lowest computational cost, but resulted in the lowest AIF detection accuracy. The experimental results demonstrated that both the AP- and Fast-AP-based methods were insensitive to the initialization of cluster centers, and had superior robustness compared with K-means method. The Fast-AP-based method enables automatic AIF detection with high accuracy and efficiency. Copyright © 2013 Wiley Periodicals, Inc.

  6. A Human Activity Recognition System Based on Dynamic Clustering of Skeleton Data

    Directory of Open Access Journals (Sweden)

    Alessandro Manzi

    2017-05-01

    Full Text Available Human activity recognition is an important area in computer vision, with its wide range of applications including ambient assisted living. In this paper, an activity recognition system based on skeleton data extracted from a depth camera is presented. The system makes use of machine learning techniques to classify the actions that are described with a set of a few basic postures. The training phase creates several models related to the number of clustered postures by means of a multiclass Support Vector Machine (SVM, trained with Sequential Minimal Optimization (SMO. The classification phase adopts the X-means algorithm to find the optimal number of clusters dynamically. The contribution of the paper is twofold. The first aim is to perform activity recognition employing features based on a small number of informative postures, extracted independently from each activity instance; secondly, it aims to assess the minimum number of frames needed for an adequate classification. The system is evaluated on two publicly available datasets, the Cornell Activity Dataset (CAD-60 and the Telecommunication Systems Team (TST Fall detection dataset. The number of clusters needed to model each instance ranges from two to four elements. The proposed approach reaches excellent performances using only about 4 s of input data (~100 frames and outperforms the state of the art when it uses approximately 500 frames on the CAD-60 dataset. The results are promising for the test in real context.

  7. A Survey of Energy Conservation Mechanisms for Dynamic Cluster Based Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Rabia Noor Enam

    2018-04-01

    Full Text Available WSN (Wireless Sensor Network is an emerging technology that has unlimited potential for numerous application areas including military, crisis management, environmental, transportation, medical, home/ city automations and smart spaces. But energy constrained nature of WSNs necessitates that their architecture and communicating protocols to be designed in an energy aware manner. Sensor data collection through clustering mechanisms has become a common strategy in WSN. This paper presents a survey report on the major perspectives with which energy conservation mechanisms has been proposed in dynamic cluster based WSNs so far. All the solutions discussed in this paper focus on the cluster based protocols only.We have covered a vast scale of existing energy efficient protocols and have categorized them in six categories. In the beginning of this paper the fundamentals of the energy constraint issues of WSNs have been discussed and an overview of the causes of energy consumptions at all layers of WSN has been given. Later in this paper several previously proposed energy efficient protocols of WSNs are presented.

  8. Cluster synchronization in the adaptive complex dynamical networks via a novel approach

    International Nuclear Information System (INIS)

    Wu Xiangjun; Lu Hongtao

    2011-01-01

    This Letter investigates cluster synchronization in the adaptive complex dynamical networks with nonidentical nodes by a local control method and a novel adaptive strategy for the coupling strengths of the networks. In this approach, the coupling strength of each node adjusts adaptively only based on the state information of its neighborhood. By means of the proposed scheme, the sufficient conditions for achieving cluster synchronization are derived analytically by utilizing Lyapunov stability theory. It is demonstrated that the synchronization performance is sensitively affected by the control gain, the inner-coupling matrix and the network topological structure. The numerical simulations are performed to verify the effectiveness of the theoretical results. - Highlights: → We present a more realistic adaptive complex network model with diverse nodes. → The local controllers are designed based the community structure of the network. → Each node's coupling strength adapts self only by the state of its neighborhood. → The synchronization effect is affected by the network structure and control gain. → The Cluster synchronization method is robust against noise perturbation.

  9. Modelling of CMUTs with Anisotropic Plates

    DEFF Research Database (Denmark)

    la Cour, Mette Funding; Christiansen, Thomas Lehrmann; Jensen, Jørgen Arendt

    2012-01-01

    Traditionally, CMUTs are modelled using the isotropic plate equation and this leads to deviations between analytical calculations and FEM simulations. In this paper, the deflection profile and material parameters are calculated using the anisotropic plate equation. It is shown that the anisotropic...... calculations match perfectly with FEM while an isotropic approach causes up to 10% deviations in deflection profile. Furthermore, we show how commonly used analytic modelling methods such as static calculations of the pull-in voltage and dynamic modelling through an equivalent circuit representation can...

  10. The shape of velocity dispersion profiles and the dynamical state of galaxy clusters

    Science.gov (United States)

    Costa, A. P.; Ribeiro, A. L. B.; de Carvalho, R. R.

    2018-01-01

    Motivated by the existence of the relationship between the dynamical state of clusters and the shape of the velocity dispersion profiles (VDPs), we study the VDPs for Gaussian (G) and non-Gaussian (NG) systems for a subsample of clusters from the Yang catalogue. The groups cover a redshift interval of 0.03 ≤ z ≤ 0.1 with halo mass ≥1014 M⊙. We use a robust statistical method, Hellinger Distance, to classify the dynamical state of the systems according to their velocity distribution. The stacked VDP of each class, G and NG, is then determined using either Bright or Faint galaxies. The stacked VDP for G groups displays a central peak followed by a monotonically decreasing trend which indicates a predominance of radial orbits, with the Bright stacked VDP showing lower velocity dispersions in all radii. The distinct features we find in NG systems are manifested not only by the characteristic shape of VDP, with a depression in the central region, but also by a possible higher infall rate associated with galaxies in the Faint stacked VDP.

  11. Dynamic clustering and dispersion of lipid rafts contribute to fusion competence of myogenic cells

    International Nuclear Information System (INIS)

    Mukai, Atsushi; Kurisaki, Tomohiro; Sato, Satoshi B.; Kobayashi, Toshihide; Kondoh, Gen; Hashimoto, Naohiro

    2009-01-01

    Recent research indicates that the leading edge of lamellipodia of myogenic cells (myoblasts and myotubes) contains presumptive fusion sites, yet the mechanisms that render the plasma membrane fusion-competent remain largely unknown. Here we show that dynamic clustering and dispersion of lipid rafts contribute to both cell adhesion and plasma membrane union during myogenic cell fusion. Adhesion-complex proteins including M-cadherin, β-catenin, and p120-catenin accumulated at the leading edge of lamellipodia, which contains the presumptive fusion sites of the plasma membrane, in a lipid raft-dependent fashion prior to cell contact. In addition, disruption of lipid rafts by cholesterol depletion directly prevented the membrane union of myogenic cell fusion. Time-lapse recording showed that lipid rafts were laterally dispersed from the center of the lamellipodia prior to membrane fusion. Adhesion proteins that had accumulated at lipid rafts were also removed from the presumptive fusion sites when lipid rafts were laterally dispersed. The resultant lipid raft- and adhesion complex-free area at the leading edge fused with the opposing plasma membrane. These results demonstrate a key role for dynamic clustering/dispersion of lipid rafts in establishing fusion-competent sites of the myogenic cell membrane, providing a novel mechanistic insight into the regulation of myogenic cell fusion.

  12. Dynamic clustering and dispersion of lipid rafts contribute to fusion competence of myogenic cells

    Energy Technology Data Exchange (ETDEWEB)

    Mukai, Atsushi [Department of Regenerative Medicine, National Institute for Longevity Sciences, National Center for Geriatrics and Gerontology, 36-3 Gengo, Morioka, Oobu, Aichi 474-8522 (Japan); Kurisaki, Tomohiro [Department of Growth Regulation, Institute for Frontier Medical Sciences, Kyoto University, 53 Shogoin-Kawahara-cho, Sakyo-ku, Kyoto 606-8507 (Japan); Sato, Satoshi B. [Research Center for Low Temperature and Material Sciences, Kyoto University, Yoshida-honmachi, Kyoto 606-8501 (Japan); Kobayashi, Toshihide [Lipid Biology Laboratory, Discovery Research Institute, RIKEN, Wako, Saitama 351-0198 (Japan); Kondoh, Gen [Laboratory of Animal Experiments for Regeneration, Institute for Frontier Medical Sciences, Kyoto University, 53 Shogoin-Kawahara-cho, Sakyo-ku, Kyoto 606-8507 (Japan); Hashimoto, Naohiro, E-mail: nao@nils.go.jp [Department of Regenerative Medicine, National Institute for Longevity Sciences, National Center for Geriatrics and Gerontology, 36-3 Gengo, Morioka, Oobu, Aichi 474-8522 (Japan)

    2009-10-15

    Recent research indicates that the leading edge of lamellipodia of myogenic cells (myoblasts and myotubes) contains presumptive fusion sites, yet the mechanisms that render the plasma membrane fusion-competent remain largely unknown. Here we show that dynamic clustering and dispersion of lipid rafts contribute to both cell adhesion and plasma membrane union during myogenic cell fusion. Adhesion-complex proteins including M-cadherin, {beta}-catenin, and p120-catenin accumulated at the leading edge of lamellipodia, which contains the presumptive fusion sites of the plasma membrane, in a lipid raft-dependent fashion prior to cell contact. In addition, disruption of lipid rafts by cholesterol depletion directly prevented the membrane union of myogenic cell fusion. Time-lapse recording showed that lipid rafts were laterally dispersed from the center of the lamellipodia prior to membrane fusion. Adhesion proteins that had accumulated at lipid rafts were also removed from the presumptive fusion sites when lipid rafts were laterally dispersed. The resultant lipid raft- and adhesion complex-free area at the leading edge fused with the opposing plasma membrane. These results demonstrate a key role for dynamic clustering/dispersion of lipid rafts in establishing fusion-competent sites of the myogenic cell membrane, providing a novel mechanistic insight into the regulation of myogenic cell fusion.

  13. Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation

    Science.gov (United States)

    Ke, Jia-Hong; Ke, Huibin; Odette, G. Robert; Morgan, Dane

    2018-01-01

    Mn-Ni-Si precipitates (MNSPs) are known to be responsible for irradiation-induced hardening and embrittlement in structural alloys used in nuclear reactors. Studies have shown that precipitation of the MNSPs in 9-Cr ferritic-martensitic (F-M) alloys, such as T91, is strongly associated with heterogeneous nucleation on dislocations, coupled with radiation-induced solute segregation to these sinks. Therefore it is important to develop advanced predictive models for Mn-Ni-Si precipitation in F-M alloys under irradiation based on an understanding of the underlying mechanisms. Here we use a cluster dynamics model, which includes multiple effects of dislocations, to study the evolution of MNSPs in a commercial F-M alloy T91. The model predictions are calibrated by data from proton irradiation experiments at 400 °C. Radiation induced solute segregation at dislocations is evaluated by a continuum model that is integrated into the cluster dynamics simulations, including the effects of dislocations as heterogeneous nucleation sites. The result shows that MNSPs in T91 are primarily irradiation-induced and, in particular, both heterogeneous nucleation and radiation-induced segregation at dislocations are necessary to rationalize the experimental observations.

  14. The Dynamics of the Globular Star Cluster 47 TUC (NGC 104)

    Science.gov (United States)

    Murphy, B. W.; Moore, C. A.; Trotter, T. E.; Cohn, H. N.; Lugger, P. M.

    1998-12-01

    We have fit dynamically evolving Fokker-Planck models to the globular star cluster 47 Tuc (Ngc 104). Using mass-function and star-count data from the Hubble Space Telescope, we have determined the global stellar mass function down to 0.1 Msun. In addition to the mass function and star-count data, the velocity-dispersion profile and millisecond pulsar acceleration are well fit by the model. The best-fitting model is a pre-core-collapse model that mimics the behavior of a cluster with a sizable population of primordial binaries. These Fokker-Planck models are far more successful than are King-Mitchie model for fitting the full set of observational data. The best-fitting model has a mass function with power-law indices of 1.35, -1.0, 0.5, and -1.0 (where 1.35 is the Salpeter index) over the mass intervals of 60 to 1.0 Msun, 1.0 to 0.55 Msun, 0.55 to 0.25 Msun, and 0.35 to 0.1 Msun, respectively. The total mass of the cluster is 1.1x 10(6) Msun, the half-mass radius is 7 parsecs, and the core radius is 0.2 parsecs. The model contains a large number (4.6% of the total cluster mass) in nonluminous objects of 1.4 Msun. If most of these objects are neutron stars, the large inferred number suggest that either the upper main sequence mass function was flatter that the Salpeter mass function or that the progenitor stellar mass range for neutron star formation may extend to lower masses in low-metallicity systems than in high metallicity systems.

  15. U1 snDNA clusters in grasshoppers: chromosomal dynamics and genomic organization.

    Science.gov (United States)

    Anjos, A; Ruiz-Ruano, F J; Camacho, J P M; Loreto, V; Cabrero, J; de Souza, M J; Cabral-de-Mello, D C

    2015-02-01

    The spliceosome, constituted by a protein set associated with small nuclear RNA (snRNA), is responsible for mRNA maturation through intron removal. Among snRNA genes, U1 is generally a conserved repetitive sequence. To unveil the chromosomal/genomic dynamics of this multigene family in grasshoppers, we mapped U1 genes by fluorescence in situ hybridization in 70 species belonging to the families Proscopiidae, Pyrgomorphidae, Ommexechidae, Romaleidae and Acrididae. Evident clusters were observed in all species, indicating that, at least, some U1 repeats are tandemly arrayed. High conservation was observed in the first four families, with most species carrying a single U1 cluster, frequently located in the third or fourth longest autosome. By contrast, extensive variation was observed among Acrididae, from a single chromosome pair carrying U1 to all chromosome pairs carrying it, with occasional occurrence of two or more clusters in the same chromosome. DNA sequence analysis in Eyprepocnemis plorans (species carrying U1 clusters on seven different chromosome pairs) and Locusta migratoria (carrying U1 in a single chromosome pair) supported the coexistence of functional and pseudogenic lineages. One of these pseudogenic lineages was truncated in the same nucleotide position in both species, suggesting that it was present in a common ancestor to both species. At least in E. plorans, this U1 snDNA pseudogenic lineage was associated with 5S rDNA and short interspersed elements (SINE)-like mobile elements. Given that we conclude in grasshoppers that the U1 snDNA had evolved under the birth-and-death model and that its intragenomic spread might be related with mobile elements.

  16. U1 snDNA clusters in grasshoppers: chromosomal dynamics and genomic organization

    Science.gov (United States)

    Anjos, A; Ruiz-Ruano, F J; Camacho, J P M; Loreto, V; Cabrero, J; de Souza, M J; Cabral-de-Mello, D C

    2015-01-01

    The spliceosome, constituted by a protein set associated with small nuclear RNA (snRNA), is responsible for mRNA maturation through intron removal. Among snRNA genes, U1 is generally a conserved repetitive sequence. To unveil the chromosomal/genomic dynamics of this multigene family in grasshoppers, we mapped U1 genes by fluorescence in situ hybridization in 70 species belonging to the families Proscopiidae, Pyrgomorphidae, Ommexechidae, Romaleidae and Acrididae. Evident clusters were observed in all species, indicating that, at least, some U1 repeats are tandemly arrayed. High conservation was observed in the first four families, with most species carrying a single U1 cluster, frequently located in the third or fourth longest autosome. By contrast, extensive variation was observed among Acrididae, from a single chromosome pair carrying U1 to all chromosome pairs carrying it, with occasional occurrence of two or more clusters in the same chromosome. DNA sequence analysis in Eyprepocnemis plorans (species carrying U1 clusters on seven different chromosome pairs) and Locusta migratoria (carrying U1 in a single chromosome pair) supported the coexistence of functional and pseudogenic lineages. One of these pseudogenic lineages was truncated in the same nucleotide position in both species, suggesting that it was present in a common ancestor to both species. At least in E. plorans, this U1 snDNA pseudogenic lineage was associated with 5S rDNA and short interspersed elements (SINE)-like mobile elements. Given that we conclude in grasshoppers that the U1 snDNA had evolved under the birth-and-death model and that its intragenomic spread might be related with mobile elements. PMID:25248465

  17. Head-wave coefficients in anisotropic media

    Science.gov (United States)

    Chapman, Chris

    2018-03-01

    Reflections and transmissions from interfaces can generate head waves. Although the kinematic properties of head waves are modelled simply using ray concepts, the dynamic properties require an extension of ray theory or the use of wave theory. Head waves are important in exploration and crustal seismology as they indicate the existence of an interface and the velocity of the generating wave. Head waves have been described in the literature for isotropic media but the extension to anisotropic media seems to be lacking. The expressions for the head-wave coefficients using ray concepts or wave theory differ, and their equality is not obvious. This paper extends the theory for head-wave coefficients to anisotropic media using both ray theory and wave theory, and generalizes the proof of equality of the two methods. Simple numerical examples confirm this equality and indicate how the head-wave results can be calculated in anisotropic media and included in a ray-tracing algorithm.

  18. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

    Science.gov (United States)

    Daub, Christopher D; Cann, Natalie M

    2012-11-01

    We study small clusters of water or methanol containing a single Ca(2+), Na(+), or Cl(-) ion with classical molecular dynamics simulations, using models that incorporate polarizability via the Drude oscillator framework. Evaporation and condensation of solvent from these clusters is examined in two systems, (1) for isolated clusters initially prepared at different temperatures and (2) those with a surrounding inert (Ar) gas of varying temperature. We examine these clusters over a range of sizes, from almost bare ions up to 40 solvent molecules. We report data on the evaporation and condensation of solvent from the clusters and argue that the observed temperature dependence of evaporation in the smallest clusters demonstrates that the presence of heated gas alone cannot, in most cases, solely account for bare ion production in electrospray ionization (ESI), neglecting the key contribution of the electric field. We also present our findings on the structure and energetics of the clusters as a function of size. Our data agree well with the abundant literature on hydrated ion clusters and offer some novel insight into the structure of methanol and ion clusters, especially those with a Cl(-) anion, where we observe the presence of chain-like structures of methanol molecules. Finally, we provide some data on the reparameterizations necessary to simulate ions in methanol using the separately developed Drude oscillator models for methanol and for ions in water.

  19. 2nd International Symposium "Atomic Cluster Collisions : Structure and Dynamics from the Nuclear to the Biological Scale"

    CERN Document Server

    Solov'yov, Andrey; ISACC 2007; Latest advances in atomic cluster collisions

    2008-01-01

    This book presents a 'snapshot' of the most recent and significant advances in the field of cluster physics. It is a comprehensive review based on contributions by the participants of the 2nd International Symposium on Atomic Cluster Collisions (ISACC 2007) held in July 19-23, 2007 at GSI, Darmstadt, Germany. The purpose of the Symposium is to promote the growth and exchange of scientific information on the structure and properties of nuclear, atomic, molecular, biological and complex cluster systems studied by means of photonic, electronic, heavy particle and atomic collisions. Particular attention is devoted to dynamic phenomena, many-body effects taking place in cluster systems of a different nature - these include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, etc.Both the experimental and theoretical aspects of cluster physics, uniquely placed between nuclear physics on the one hand and atomic, molecular and solid state physics on the other, are discuss...

  20. Preferential segregation of Pd atoms in the Ag-Pd bimetallic cluster: Density functional theory and molecular dynamics simulation

    Science.gov (United States)

    Kim, Hyun You; Kim, Hyoung Gyu; Ryu, Ji Hoon; Lee, Hyuck Mo

    2007-06-01

    Classical molecular dynamics simulations of the coalescence between an Ag cluster composed of 135 atoms and a Pd cluster of 16 atoms were performed at 500K . All Pd atoms penetrated into the Ag cluster and preferentially segregated at the subsurface layer. The density functional theory calculations revealed that the center site is the most stable position for Pd atoms. However, the energy barrier for further penetration of Pd atoms located at the subsurface was too high to overcome, and thus a metastable structure with Pd atoms segregated at the subsurface did not evolve.

  1. Study of ice cluster impacts on amorphous silica using the ReaxFF reactive force field molecular dynamics simulation method

    Energy Technology Data Exchange (ETDEWEB)

    Rahnamoun, A. [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, 234 Research East, University Park, Pennsylvania 16802 (United States); Duin, A. C. T. van [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, 240 Research East, University Park, Pennsylvania 16802 (United States)

    2016-03-07

    We study the dynamics of the collisions between amorphous silica structures and amorphous and crystal ice clusters with impact velocities of 1 km/s, 4 km/s, and 7 km/s using the ReaxFF reactive molecular dynamics simulation method. The initial ice clusters consist of 150 water molecules for the amorphous ice cluster and 128 water molecules for the crystal ice cluster. The ice clusters are collided on the surface of amorphous fully oxidized and suboxide silica. These simulations show that at 1 km/s impact velocities, all the ice clusters accumulate on the surface and at 4 km/s and 7 km/s impact velocities, some of the ice cluster molecules bounce back from the surface. At 4 km/s and 7 km/s impact velocities, few of the water molecules dissociations are observed. The effect of the second ice cluster impacts on the surfaces which are fully covered with ice, on the mass loss/accumulation is studied. These studies show that at 1 km/s impacts, the entire ice cluster accumulates on the surface at both first and second ice impacts. At higher impact velocities, some ice molecules which after the first ice impacts have been attached to the surface will separate from the surface after the second ice impacts at 7 km/s impact velocity. For the 4 km/s ice cluster impact, ice accumulation is observed for the crystal ice cluster impacts and ice separation is observed for the amorphous ice impacts. Observing the temperatures of the ice clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting ice clusters increase to about 2000 K, with individual molecules occasionally reaching temperatures of over 8000 K and thus it will be prudent to consider the concept of electron excitation at

  2. Anisotropic contrast optical microscope.

    Science.gov (United States)

    Peev, D; Hofmann, T; Kananizadeh, N; Beeram, S; Rodriguez, E; Wimer, S; Rodenhausen, K B; Herzinger, C M; Kasputis, T; Pfaunmiller, E; Nguyen, A; Korlacki, R; Pannier, A; Li, Y; Schubert, E; Hage, D; Schubert, M

    2016-11-01

    An optical microscope is described that reveals contrast in the Mueller matrix images of a thin, transparent, or semi-transparent specimen located within an anisotropic object plane (anisotropic filter). The specimen changes the anisotropy of the filter and thereby produces contrast within the Mueller matrix images. Here we use an anisotropic filter composed of a semi-transparent, nanostructured thin film with sub-wavelength thickness placed within the object plane. The sample is illuminated as in common optical microscopy but the light is modulated in its polarization using combinations of linear polarizers and phase plate (compensator) to control and analyze the state of polarization. Direct generalized ellipsometry data analysis approaches permit extraction of fundamental Mueller matrix object plane images dispensing with the need of Fourier expansion methods. Generalized ellipsometry model approaches are used for quantitative image analyses. These images are obtained from sets of multiple images obtained under various polarizer, analyzer, and compensator settings. Up to 16 independent Mueller matrix images can be obtained, while our current setup is limited to 11 images normalized by the unpolarized intensity. We demonstrate the anisotropic contrast optical microscope by measuring lithographically defined micro-patterned anisotropic filters, and we quantify the adsorption of an organic self-assembled monolayer film onto the anisotropic filter. Comparison with an isotropic glass slide demonstrates the image enhancement obtained by our method over microscopy without the use of an anisotropic filter. In our current instrument, we estimate the limit of detection for organic volumetric mass within the object plane of ≈49 fg within ≈7 × 7 μm 2 object surface area. Compared to a quartz crystal microbalance with dissipation instrumentation, where contemporary limits require a total load of ≈500 pg for detection, the instrumentation demonstrated here improves

  3. Anisotropic Weyl invariance

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Nadal, Guillem [Universidad de Buenos Aires, Buenos Aires (Argentina)

    2017-07-15

    We consider a non-relativistic free scalar field theory with a type of anisotropic scale invariance in which the number of coordinates ''scaling like time'' is generically greater than one. We propose the Cartesian product of two curved spaces, the metric of each space being parameterized by the other space, as a notion of curved background to which the theory can be extended. We study this type of geometries, and find a family of extensions of the theory to curved backgrounds in which the anisotropic scale invariance is promoted to a local, Weyl-type symmetry. (orig.)

  4. Photodissociation dynamics of the Kr-HBr cluster: the effect of the rare gas atom substitution.

    Science.gov (United States)

    López-López, S; García-Vela, A

    2004-01-08

    The ultraviolet photolysis dynamics of Kr-HBr(v=0) is investigated by means of wave packet calculations, focusing on the fragmentation pathway Kr-HBr+ variant Planck's over 2pi omega-->H+Kr-Br. Photolysis is simulated by starting from two different cluster initial states, namely the ground van der Waals (vdW) and an excited vdW bending state, associated with the Kr-H-Br and Kr-Br-H isomers, respectively. The results show that, for the two initial states of the cluster, the Kr-Br product yield is lower than that of Ar-Br radicals found in previous studies on Ar-HBr photolysis. Despite this decrease, the Kr-Br yield is found to be still rather high, in particular for the initial excited vdW state of Kr-HBr(v=0). In addition, the Kr-Br product state distributions exhibit a remarkably higher excitation (mainly rotational) than the corresponding Ar-Br distributions. The lower yield and higher excitation of Kr-Br as compared to Ar-Br, are attributed to a larger share of the energy available for the radical going to internal excitation in the case of the Kr-Br product. The different partition of the energy available for Kr-Br also causes significant deviations in the photolysis behavior of Kr-HBr when compared to that of Ar-HBr, in the case of the initial excited vdW state of both clusters. A common feature of the photodissociation of Kr-HBr and Ar-HBr is the manifestation of quantum interference effects in the Kr-Br and Ar-Br rotational state distributions, in the form of pronounced structures of supernumerary rotational rainbows. (c) 2004 American Institute of Physics

  5. Dimension dependence of clustering dynamics in models of ballistic aggregation and freely cooling granular gas

    Science.gov (United States)

    Paul, Subhajit; Das, Subir K.

    2018-03-01

    Via event-driven molecular dynamics simulations we study kinetics of clustering in assemblies of inelastic particles in various space dimensions. We consider two models, viz., the ballistic aggregation model (BAM) and the freely cooling granular gas model (GGM), for each of which we quantify the time dependence of kinetic energy and average mass of clusters (that form due to inelastic collisions). These quantities, for both the models, exhibit power-law behavior, at least in the long time limit. For the BAM, corresponding exponents exhibit strong dimension dependence and follow a hyperscaling relation. In addition, in the high packing fraction limit the behavior of these quantities become consistent with a scaling theory that predicts an inverse relation between energy and mass. On the other hand, in the case of the GGM we do not find any evidence for such a picture. In this case, even though the energy decay, irrespective of packing fraction, matches quantitatively with that for the high packing fraction picture of the BAM, it is inversely proportional to the growth of mass only in one dimension, and the growth appears to be rather insensitive to the choice of the dimension, unlike the BAM.

  6. Dynamic Clustering-Based Estimation of Missing Values in Mixed Type Data

    Science.gov (United States)

    Ayuyev, Vadim V.; Jupin, Joseph; Harris, Philip W.; Obradovic, Zoran

    The appropriate choice of a method for imputation of missing data becomes especially important when the fraction of missing values is large and the data are of mixed type. The proposed dynamic clustering imputation (DCI) algorithm relies on similarity information from shared neighbors, where mixed type variables are considered together. When evaluated on a public social science dataset of 46,043 mixed type instances with up to 33% missing values, DCI resulted in more than 20% improved imputation accuracy over Multiple Imputation, Predictive Mean Matching, Linear and Multilevel Regression, and Mean Mode Replacement methods. Data imputed by 6 methods were used for prediction tests by NB-Tree, Random Subset Selection and Neural Network-based classification models. In our experiments classification accuracy obtained using DCI-preprocessed data was much better than when relying on alternative imputation methods for data preprocessing.

  7. Dynamical Structure of the Cross-tail Current Sheet During Substorms Observed by Cluster

    Science.gov (United States)

    Asano, Y.; Nakamura, R.; Runov, A.; Takada, T.; Baumjohann, W.; Balogh, A.; Klecker, B.; Rème, H.

    2005-12-01

    We report on the dynamical variation of the current sheet structure in the magnetotail using magnetic field and plasma data obtained by the Cluster multi-satellites. It is found that in some cases the thickness of the cross-tail current sheet shows temporal variations repeatedly. This sausage-mode-like variation is associated with substorm onsets or occurrence of fast plasma flows, with the time scale of several minutes before substorm onsets or fast flows and of a half to one minute afterwards. It frequently coexists with kink-mode-like wave or flapping motion. Such sausage-mode-like variation is mainly observed in the central part of the plasma sheet, and forms transient bifurcated currents or the intense current in the center.

  8. Clustering reveals limits of parameter identifiability in multi-parameter models of biochemical dynamics.

    Science.gov (United States)

    Nienałtowski, Karol; Włodarczyk, Michał; Lipniacki, Tomasz; Komorowski, Michał

    2015-09-29

    Compared to engineering or physics problems, dynamical models in quantitative biology typically depend on a relatively large number of parameters. Progress in developing mathematics to manipulate such multi-parameter models and so enable their efficient interplay with experiments has been slow. Existing solutions are significantly limited by model size. In order to simplify analysis of multi-parameter models a method for clustering of model parameters is proposed. It is based on a derived statistically meaningful measure of similarity between groups of parameters. The measure quantifies to what extend changes in values of some parameters can be compensated by changes in values of other parameters. The proposed methodology provides a natural mathematical language to precisely communicate and visualise effects resulting from compensatory changes in values of parameters. As a results, a relevant insight into identifiability analysis and experimental planning can be obtained. Analysis of NF-κB and MAPK pathway models shows that highly compensative parameters constitute clusters consistent with the network topology. The method applied to examine an exceptionally rich set of published experiments on the NF-κB dynamics reveals that the experiments jointly ensure identifiability of only 60% of model parameters. The method indicates which further experiments should be performed in order to increase the number of identifiable parameters. We currently lack methods that simplify broadly understood analysis of multi-parameter models. The introduced tools depict mutually compensative effects between parameters to provide insight regarding role of individual parameters, identifiability and experimental design. The method can also find applications in related methodological areas of model simplification and parameters estimation.

  9. Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states

    International Nuclear Information System (INIS)

    Closser, Kristina D.; Head-Gordon, Martin; Gessner, Oliver

    2014-01-01

    The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics. The simulations were performed with configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm. 100 different configurations of He 7 were excited into the 2s and 2p manifold for a total of 2800 trajectories. While the most common outcome (90%) was complete fragmentation to 6 ground state atoms and 1 excited state atom, 3% of trajectories yielded bound, He 2 * , and <0.5% yielded an excited helium trimer. The nature of the dynamics, kinetic energy release, and connections to experiments are discussed

  10. Anisotropic Lyra cosmology

    Indian Academy of Sciences (India)

    Anisotropic Bianchi Type-I cosmological models have been studied on the basis of Lyra's geometry. Two types of models, one with constant deceleration parameter and the other with variable deceleration parameter have been derived by considering a time-dependent displacement field.

  11. Anisotropic Concrete Compressive Strength

    DEFF Research Database (Denmark)

    Gustenhoff Hansen, Søren; Jørgensen, Henrik Brøner; Hoang, Linh Cao

    2017-01-01

    When the load carrying capacity of existing concrete structures is (re-)assessed it is often based on compressive strength of cores drilled out from the structure. Existing studies show that the core compressive strength is anisotropic; i.e. it depends on whether the cores are drilled parallel...

  12. Network Signaling Channel for Improving ZigBee Performance in Dynamic Cluster-Tree Networks

    Directory of Open Access Journals (Sweden)

    D. Hämäläinen

    2008-03-01

    Full Text Available ZigBee is one of the most potential standardized technologies for wireless sensor networks (WSNs. Yet, sufficient energy-efficiency for the lowest power WSNs is achieved only in rather static networks. This severely limits the applicability of ZigBee in outdoor and mobile applications, where operation environment is harsh and link failures are common. This paper proposes a network channel beaconing (NCB algorithm for improving ZigBee performance in dynamic cluster-tree networks. NCB reduces the energy consumption of passive scans by dedicating one frequency channel for network beacon transmissions and by energy optimizing their transmission rate. According to an energy analysis, the power consumption of network maintenance operations reduces by 70%–76% in dynamic networks. In static networks, energy overhead is negligible. Moreover, the service time for data routing increases up to 37%. The performance of NCB is validated by ns-2 simulations. NCB can be implemented as an extension on MAC and NWK layers and it is fully compatible with ZigBee.

  13. Phase Diagram and Sweep Dynamics of a One-Dimensional Generalized Cluster Model

    Science.gov (United States)

    Ohta, Takumi; Tanaka, Shu; Danshita, Ippei; Totsuka, Keisuke

    2015-06-01

    We numerically study quantum phase transitions and dynamical properties in the one-dimensional cluster model with several interactions by using the time-evolving block decimation method for infinite systems and the exact diagonalization. First, boundaries among several quantum phases of the model are determined from energy gap and each phase is characterized by order parameters and the entanglement spectrum (ES). We confirm that in the model with open boundary condition the degeneracy of the lowest levels in the ES corresponds to that of the ground states. Then, using the time-dependent Bogoliubov transformation with open boundary condition, we investigate dynamical properties during an interaction sweep through the critical point which separates two topological phases involving four-fold degeneracy in the ground state. After a slow sweep across the critical point, we observe spatially periodic structures in the string correlation functions and the entanglement entropy. It is shown that the periodicities stem from the Bogoliubov quasiparticles generated near the critical point.

  14. Theoretical studies of zirconium and carbon clusters with molecular dynamics simulations

    International Nuclear Information System (INIS)

    Zhang, B.

    1993-08-01

    In this dissertation, we will present a systematic study of structures of fullerenes ranging from C 20 to C 100 by introducing a novel scheme. Using our new scheme, we not only reproduce all known fullerene structures but also successfully predicted several other fullerene structures which were confirmed by experiments. By utilizing the tight-binding molecular-dynamic (TBMD) simulation, we also studied the dynamical behavior of fullerenes: Vibrations, thermal disintegration of individual clusters as well as collisions between fullerenes. If the beauty of carbon fullerene is not enough, people found that carbon can also form tubules and even speculated that they can form three-dimensional graphite-like networks. By extending our fullerene structure searching scheme, we performed a search for the ground-state structure of three dimensional carbon network. We found the most stable structure people ever proposed for simple cubic based networks. From the difference of this new form of carbon and graphite in the electronic and vibrational properties, we propose an experimental probe to identify these novel three-dimensional carbon networks

  15. Spectroscopic characterization of galaxy clusters in RCS-1: spectroscopic confirmation, redshift accuracy, and dynamical mass-richness relation

    Science.gov (United States)

    Gilbank, David G.; Barrientos, L. Felipe; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.

    2018-05-01

    We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z ˜ 0.2-0.6 observed with multiobject spectroscopy (MOS) on 4-6.5-m class telescopes and a z ˜ 1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5 per cent of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z ˜ 1, the rate rises to ˜20 per cent. Approximately ten per cent of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z ˜ 0.05.

  16. Spectroscopic Characterisation of Galaxy Clusters in RCS-1: spectroscopic confirmation, redshift accuracy, and dynamical mass-richness relation

    Science.gov (United States)

    Gilbank, David G.; Felipe Barrientos, L.; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.

    2018-02-01

    We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z˜0.2-0.6 observed with multi-object spectroscopy (MOS) on 4-6.5-m class telescopes and a z˜1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely-used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously-published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5% of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z˜1 the rate rises to ˜20%. ˜10% of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z˜0.05.

  17. Re-solution of xenon clusters in plutonium dioxide under the collision cascade impact: A molecular dynamics simulation

    Science.gov (United States)

    Seitov, D. D.; Nekrasov, K. A.; Kupryazhkin, A. Ya.; Gupta, S. K.; Akilbekov, A. T.

    2017-09-01

    The interaction of xenon clusters with the collision cascades in the PuO2 crystals is investigated using the molecular dynamics simulation and the approximation of the pair interaction potentials. The potentials of interaction of Xe atoms with the surrounding particles in the crystal lattice are suggested, that are valid in the range of high collision energies. The cascades created by the recoil 235U ions formed as the plutonium α-decay product are considered, and the influence of such cascades on the structure of the xenon clusters is analyzed. It is shown, that the cascade-cluster interaction leads to release of the xenon atoms from the clusters and their subsequent re-solution in the crystal bulk.

  18. Stability of anisotropic stellar filaments

    Science.gov (United States)

    Bhatti, M. Zaeem-ul-Haq; Yousaf, Z.

    2017-12-01

    The study of perturbation of self-gravitating celestial cylindrical object have been carried out in this paper. We have designed a framework to construct the collapse equation by formulating the modified field equations with the background of f(R , T) theory as well as dynamical equations from the contracted form of Bianchi identities with anisotropic matter configuration. We have encapsulated the radial perturbations on metric and material variables of the geometry with some known static profile at Newtonian and post-Newtonian regimes. We examined a strong dependence of unstable regions on stiffness parameter which measures the rigidity of the fluid. Also, the static profile and matter variables with f(R , T) dark source terms control the instability of compact cylindrical system.

  19. Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab Initio molecular dynamics

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Loukonen, Ville; Kjærgaard, Henrik Grum

    2014-01-01

    We present a molecular dynamics (MD) based study of the acetonitrile-hydrogen chloride molecular cluster in the gas phase, aimed at resolving the anomalous features often seen in infrared spectra of hydrogen bonded complexes. We find that the infrared spectrum obtained from the Fourier transform...

  20. The Atacama Cosmology Telescope: Dynamical Masses for 44 SZ-Selected Galaxy Clusters over 755 Square Degrees

    Science.gov (United States)

    Sifon, Cristobal; Battaglia, Nick; Hasselfield, Matthew; Menanteau, Felipe; Barrientos, L. Felipe; Bond, J. Richard; Crichton, Devin; Devlin, Mark J.; Dunner, Rolando; Hilton, Matt; hide

    2016-01-01

    We present galaxy velocity dispersions and dynamical mass estimates for 44 galaxy clusters selected via the Sunyaev-Zeldovich (SZ) effect by the Atacama Cosmology Telescope. Dynamical masses for 18 clusters are reported here for the first time. Using N-body simulations, we model the different observing strategies used to measure the velocity dispersions and account for systematic effects resulting from these strategies. We find that the galaxy velocity distributions may be treated as isotropic, and that an aperture correction of up to 7 per cent in the velocity dispersion is required if the spectroscopic galaxy sample is sufficiently concentrated towards the cluster centre. Accounting for the radial profile of the velocity dispersion in simulations enables consistent dynamical mass estimates regardless of the observing strategy. Cluster masses M200 are in the range (1 - 15) times 10 (sup 14) Solar Masses. Comparing with masses estimated from the SZ distortion assuming a gas pressure profile derived from X-ray observations gives a mean SZ-to-dynamical mass ratio of 1:10 plus or minus 0:13, but there is an additional 0.14 systematic uncertainty due to the unknown velocity bias; the statistical uncertainty is dominated by the scatter in the mass-velocity dispersion scaling relation. This ratio is consistent with previous determinations at these mass scales.

  1. Molecular dynamics simulation investigations of H2/D2 dissocitive chemisorption dynamics on Cun(n=13-14) Rigid/nonrigid clusters

    International Nuclear Information System (INIS)

    Elzein, N.

    2004-01-01

    In this work with a use of molecular dynamic simulations we have reported the results of a quasiclassical simulation study of the interaction of H2/(D2) with Cu N (N=13-14) atoms in both rigid /(non rigid) clusters.The geometry of the cluster is obtained by an embedded-atom (EA) mode potential, and the interaction between the molecule and cIuster is described by a LEPS -London-Eyring -Polanyi-Sato) potential energy function.Both channels the reactive dissociative adsorption of the molecule on the cIuster) and non reactive (scattering of the molecule from the cluster) are considered. The dissociative chemisorption probability, cross section and rate constant are studied as functions of the initial quantal rovibrational state of the molecule, collision energy, impact parameter and the temperature (OK,296K,834K ,1014K,1554K) of the clusters

  2. Dynamic Cooperative Clustering Based Power Assignment: Network Capacity and Lifetime Efficient Topology Control in Cooperative Ad Hoc Networks

    Directory of Open Access Journals (Sweden)

    Xiao-Hong Li

    2014-01-01

    Full Text Available Cooperative communication (CC is used in topology control as it can reduce the transmission power and expand the transmission range. However, all previous research on topology control under the CC model focused on maintaining network connectivity and minimizing the total energy consumption, which would lead to low network capacity, transmission interruption, or even network paralysis. Meanwhile, without considering the balance of energy consumption in the network, it would reduce the network lifetime and greatly affect the network performance. This paper tries to solve the above problems existing in the research on topology control under the CC model by proposing a power assignment (DCCPA algorithm based on dynamic cooperative clustering in cooperative ad hoc networks. The new algorithm clusters the network to maximize network capacity and makes the clusters communicate with each other by CC. To reduce the number of redundant links between clusters, we design a static clustering method by using Kruskal algorithm. To maximize the network lifetime, we also propose a cluster head rotating method which can reach a good tradeoff between residual energy and distance for the cluster head reselection. Experimental results show that DCCPA can improve 80% network capacity with Cooperative Bridges algorithm; meanwhile, it can improve 20% network lifetime.

  3. Hydrodynamic cavitation in Stokes flow of anisotropic fluids.

    Science.gov (United States)

    Stieger, Tillmann; Agha, Hakam; Schoen, Martin; Mazza, Marco G; Sengupta, Anupam

    2017-05-30

    Cavitation, the nucleation of vapour in liquids, is ubiquitous in fluid dynamics, and is often implicated in a myriad of industrial and biomedical applications. Although extensively studied in isotropic liquids, corresponding investigations in anisotropic liquids are largely lacking. Here, by combining liquid crystal microfluidic experiments, nonequilibrium molecular dynamics simulations and theoretical arguments, we report flow-induced cavitation in an anisotropic fluid. The cavitation domain nucleates due to sudden pressure drop upon flow past a cylindrical obstacle within a microchannel. For an anisotropic fluid, the inception and growth of the cavitation domain ensued in the Stokes regime, while no cavitation was observed in isotropic liquids flowing under similar hydrodynamic parameters. Using simulations we identify a critical value of the Reynolds number for cavitation inception that scales inversely with the order parameter of the fluid. Strikingly, the critical Reynolds number for anisotropic fluids can be 50% lower than that of isotropic fluids.

  4. Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and cluster states

    Energy Technology Data Exchange (ETDEWEB)

    Ku, Wai Lim; Girvan, Michelle; Ott, Edward [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States)

    2015-12-15

    In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is “extensive” in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.

  5. Dynamical difference between the cD galaxy and the diffuse, stellar component in simulated galaxy clusters

    Science.gov (United States)

    Dolag, K.; Murante, G.; Borgani, S.

    2010-07-01

    Member galaxies within galaxy clusters nowadays can be routinely identified in cosmological, hydrodynamical simulations using methods based on identifying self bound, locally over dense substructures. However, distinguishing the central galaxy from the stellar diffuse component within clusters is notoriously difficult, and in the centre it is not even clear if two distinct stellar populations exist. Here, after subtracting all member galaxies, we use the velocity distribution of the remaining stars and detect two dynamically, well-distinct stellar components within simulated galaxy clusters. These differences in the dynamics can be used to apply an unbinding procedure which leads to a spatial separation of the two components into a cD and a diffuse stellar component (DSC). Applying our new algorithm to a cosmological, hydrodynamical simulation we find that - in line with previous studies - these two components have clearly distinguished spatial and velocity distributions as well as different star formation histories. We show that the DSC fraction - which can broadly be associated with the observed intracluster light - does not depend on the virial mass of the galaxy cluster and is much more sensitive to the formation history of the cluster. We conclude that the separation of the cD and the DSC in simulations, based on our dynamical criteria, is more physically motivated than current methods which depend on implicit assumptions on a length-scale associated with the cD galaxy and therefore represent a step forward in understanding the different stellar components within galaxy clusters. Our results also show the importance of analysing the dynamics of the DSC to characterize its properties and understand its origin.

  6. Static and dynamic experimental behaviour of sands and anisotropic elasto-viscoplastic modelling in small and medium deformations; Comportement experimental statique et dynamique des sables et modelisation, elasto-visco-plastique, anisotrope en petites et moyennes deformations

    Energy Technology Data Exchange (ETDEWEB)

    Ezaoui, A

    2008-06-15

    In the first part, based on various works realized in situ, the author discusses the importance of a fine characterization of soils within the field of small and medium deformations. He also presents the rheological background on which the modelling will be based. Then, he presents the experimental device, a tri-axial apparatus, 'StaDy', which allows high precision measurements, possesses force sensors comprising a piezoelectric device to generate compression and shear waves. He also presents the different static and dynamic prompting systems. He reports the experimental campaign performed on a Hostun S28 sand, and the analysis of its results. He describes the procedure of determination of the elastic tensor, and analyses and discusses the evolutions of this tensor in terms of the stress-strain status. Viscous phenomena creep and relaxation stages, and plastic behaviours are quantified and discussed with respect to the loading status, the initial granular arrangement, and the efforts applied to the material. The small deformation modelling is then presented and predictions are compared with experimental results obtained in the literature about a bus station. A general analog formulation is introduced, which associates three components (elastic, plastic and viscous). Models are calibrated with triaxial test results, and simulations of viscous and plastic phenomena allow the proposed approaches to be validated.

  7. Dynamical mass of a star cluster in M 83: a test of fibre-fed multi-object spectroscopy

    Science.gov (United States)

    Moll, S. L.; de Grijs, R.; Anders, P.; Crowther, P. A.; Larsen, S. S.; Smith, L. J.; Portegies Zwart, S. F.

    2008-10-01

    Aims: We obtained VLT/FLAMES+UVES high-resolution, fibre-fed spectroscopy of five young massive clusters (YMCs) in M 83 (NGC 5236). This forms the basis of a pilot study testing the feasibility of using fibre-fed spectroscopy to measure the velocity dispersions of several clusters simultaneously, in order to determine their dynamical masses. In principle, this reduces the telescope time required to obtain a statistically significant sample of dynamical cluster masses. These can be used to assess the long-term survivability of YMCs by comparing their dynamical and photometric masses, which are necessary to ascertain the potential evolution of YMCs into second-generation globular clusters. Methods: We adopted two methods for determining the velocity dispersion of the star clusters: cross-correlating the cluster spectrum with the template spectra and minimising a χ2 value between the cluster spectrum and the broadened template spectra. We also considered both red giant and red supergiant template stars. Cluster 805 in M 83 (following the notation of Larsen) was chosen as a control to test the reliability of the results obtained by this observational method, through a comparison with the results obtained from a standard echelle VLT/UVES spectrum obtained by Larsen & Richtler. Results: We find no dependence of the velocity dispersions measured for a cluster on the choice of red giant versus red supergiant templates, nor on the method adopted. However, we do find that the standard deviation of the results obtained with only one method may underestimate the true uncertainty. We measure a velocity dispersion of σ_los = 10.2 ± 1.1 km s-1 for cluster 805 from our fibre-fed spectroscopy. This is in excellent agreement with the velocity dispersion of σ_los = 10.6 ± 1.4 km s-1 determined from the standard echelle UVES spectrum of cluster 805. Our FLAMES+UVES velocity dispersion measurement gives M_vir = (6.6 ± 1.7) × 105 M_⊙, consistent with previous results. This

  8. Pushing ahead the frontier of the Globular Cluster dynamics: the 3D view of the velocity space

    Science.gov (United States)

    Ferraro, Francesco

    2017-08-01

    Globular clusters (GCs) are the only astrophysical systems that, within a Hubble time, undergo nearly all the physical processes known in stellar dynamics. Although they have been studied since the very beginning of modern Astrophysics, little is known from observations about their kinematical richness, thus preventing a complete understanding of their current dynamical state, formation and evolutionary history. Here we propose to determine the internal proper motions of stars down to the sub giant branch for a representative sample of Galactic GCs for which we are measuring line-of-sight velocities from a multi-instrument spectroscopic campaign at the ESO Very Large Telescope. The project will provide the first catalog of 3D velocities of hundreds individual stars in the cluster centers, where the most interesting dynamical processes are expected to occur. Long lasting open issues such as the accurate shape of the velocity dispersion profiles, the existence of systemic rotation and orbital anisotropy (and thus the level of relaxation), and the controversial presence of intermediate mass black holes in star clusters will be finally addressed. This will motivate the development of a new generation of fully constrained dynamical models able to properly describe the structural and dynamical properties of stellar systems and reconstruct the evolutionary paths that led to their current status.

  9. Molecular dynamics study on the interaction of a dislocation and radiation induced defect clusters in Fcc crystals

    International Nuclear Information System (INIS)

    Hideo, Kaburaki; Tomoko, Kadoyoshi; Futoshi, Shimizu; Hajime; Kimizuka; Shiro, Jitsukawa

    2003-01-01

    Irradiation of high-energy neutrons and charged particles into solids is known to cause a significant change in mechanical properties, in particular, hardening of metals. Hardening of solids arises as a result of interactions of dislocations with irradiation induced defect clusters. Molecular dynamics method combined with the visualization method has been used to elucidate these complex pinning structures in details. In particular, we have successfully observed the transient process for the formation of a super-jog from an edge dislocation and interstitial and vacancy clusters under irradiation cascade conditions. Parallel molecular dynamics programs, called as Parallel Molecular Dynamics Stencil (PMDS), have been developed in order to perform these large scale simulations for materials simulations. The contents of the program and its parallel performance are also reported. (authors)

  10. Effects of the mean-field dynamics and the phase-space geometry on the cluster formation

    International Nuclear Information System (INIS)

    Basrak, Z.; Eudes, P.; Abgrall, P.; Haddad, F.; Sebille, F.

    1997-01-01

    A model allowing to simulate the production of clusters is developed and applied to heavy-ion reactions at intermediate energies. The model investigates the geometrical properties of the dynamically generated one-body phase space. The collision process is entirely governed by the Landau-Vlasov model, which provides the time evolution of the one-body phase-space distribution. Particles emitted during successive time intervals of the dynamics are gathered together into subensembles to which a clusterization procedure is applied. Comparison with the experimental data for the Ar(65 MeV/nucleon) + Al reaction shows that the average behaviour of particle-dependent global observables is correctly reproduced within this framework. These results point out that the studied global properties of heavy-ion collisions greatly rely on the dynamical effects of the primary non-steady stage of the nuclear reaction. (orig.)

  11. The mond external field effect on the dynamics of the globular clusters: general considerations and application to NGC 2419

    International Nuclear Information System (INIS)

    Derakhshani, Kamran

    2014-01-01

    In this paper, we investigate the external field effect in the context of the MOdified Newtonian Dynamics (MOND) on the surface brightness and velocity dispersion profiles of globular clusters (GCs). Using N-MODY, which is an N-body simulation code with a MOND potential solver, we show that the general effect of the external field for diffuse clusters, which obey MOND in most of their parts, is that it pushes the dynamics toward the Newtonian regime. On the other hand, for more compact clusters, which are essentially Newtonian in their inner parts, the external field is effective mainly in the outer parts of compact clusters. As a case study, we then choose the remote Galactic GC NGC 2419. By varying the cluster mass, half-light radius, and mass-to-light ratio, we aim to find a model that will reproduce the observational data most effectively, using N-MODY. We find that even if we take the Galactic external field into account, a Newtonian Plummer sphere represents the observational data better than MOND to an order of magnitude in terms of the total χ 2 of surface brightness and velocity dispersion.

  12. Anisotropic elliptic optical fibers

    Science.gov (United States)

    Kang, Soon Ahm

    1991-05-01

    The exact characteristic equation for an anisotropic elliptic optical fiber is obtained for odd and even hybrid modes in terms of infinite determinants utilizing Mathieu and modified Mathieu functions. A simplified characteristic equation is obtained by applying the weakly guiding approximation such that the difference in the refractive indices of the core and the cladding is small. The simplified characteristic equation is used to compute the normalized guide wavelength for an elliptical fiber. When the anisotropic parameter is equal to unity, the results are compared with the previous research and they are in close agreement. For a fixed value normalized cross-section area or major axis, the normalized guide wavelength lambda/lambda(sub 0) for an anisotropic elliptic fiber is small for the larger value of anisotropy. This condition indicates that more energy is carried inside of the fiber. However, the geometry and anisotropy of the fiber have a smaller effect when the normalized cross-section area is very small or very large.

  13. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters

    International Nuclear Information System (INIS)

    Blaise, Philippe

    1998-01-01

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author)

  14. Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Brimbal, Daniel, E-mail: Daniel.brimbal@areva.com [AREVA NP, Tour AREVA, 1 Place Jean Millier, 92084 Paris La Défense (France); Fournier, Lionel [AREVA NP, Tour AREVA, 1 Place Jean Millier, 92084 Paris La Défense (France); Barbu, Alain [Alain Barbu Consultant, 6 Avenue Pasteur Martin Luther King, 78230 Le Pecq (France)

    2016-01-15

    A mean field cluster dynamics model has been developed in order to study the effect of high dose irradiation and helium on the microstructural evolution of metals. In this model, self-interstitial clusters, stacking-fault tetrahedra and helium-vacancy clusters are taken into account, in a configuration well adapted to austenitic stainless steels. For small helium-vacancy cluster sizes, the densities of each small cluster are calculated. However, for large sizes, only the mean number of helium atoms per cluster size is calculated. This aspect allows us to calculate the evolution of the microstructural features up to high irradiation doses in a few minutes. It is shown that the presence of stacking-fault tetrahedra notably reduces cavity sizes below 400 °C, but they have little influence on the microstructure above this temperature. The binding energies of vacancies to cavities are calculated using a new method essentially based on ab initio data. It is shown that helium has little effect on the cavity microstructure at 300 °C. However, at higher temperatures, even small helium production rates such as those typical of sodium-fast-reactors induce a notable increase in cavity density compared to an irradiation without helium. - Highlights: • Irradiation of steels with helium is studied through a new cluster dynamics model. • There is only a small effect of helium on cavity distributions in PWR conditions. • An increase in helium production causes an increase in cavity density over 500 °C. • The role of helium is to stabilize cavities via reduced emission of vacancies.

  15. Conjugate observation of sharp dynamical boundary in the inner magnetosphere by Cluster and DMSP spacecraft and ground network

    Directory of Open Access Journals (Sweden)

    S. V. Apatenkov

    2008-09-01

    Full Text Available We investigate an unusual sharp boundary separating two plasma populations (inner magnetospheric plasma with high fluxes of energetic particles and plasma sheet observed by the Cluster quartet near its perigee on 16 December 2003. Cluster was in a pearl-on-string configuration at 05:00 MLT and mapped along magnetic field lines to ~8–9 RE in the equatorial plane. It was conjugate to the MIRACLE network and the DMSP F16 spacecraft passed close to Cluster footpoint. The properties of the sharp boundary, repeatedly crossed 7 times by five spacecraft during ~10 min, are: (1 upward FAC sheet at the boundary with ~30 nA/m2 current density at Cluster and ~2000 nA/m2 at DMSP; (2 the boundary had an embedded layered structure with different thickness scales, the electron population transition was at ~20 km scale at Cluster (<7 km at DMSP, proton population had a scale ~100 km, while the FAC sheet thickness was estimated to be ~500 km at Cluster (~100 km at DMSP; (3 the boundary propagated in the earthward-eastward direction at ~8 km/s in situ (equatorward-eastward ~0.8 km/s in ionosphere, and then decelerated and/or stopped. We discuss the boundary formation by the collision of two different plasmas which may include dynamical three-dimensional field-aligned current loops.

  16. An anisotropic tertiary creep damage constitutive model for anisotropic materials

    International Nuclear Information System (INIS)

    Stewart, Calvin M.; Gordon, Ali P.; Ma, Young Wha; Neu, Richard W.

    2011-01-01

    When an anisotropic material is subject to creep conditions and a complex state of stress, an anisotropic creep damage behavior is observed. Previous research has focused on the anisotropic creep damage behavior of isotropic materials but few constitutive models have been developed for anisotropic creeping solids. This paper describes the development of a new anisotropic tertiary creep damage constitutive model for anisotropic materials. An advanced tensorial damage formulation is implemented which includes both material orientation relative to loading and the degree of creep damage anisotropy in the model. A variation of the Norton-power law for secondary creep is implemented which includes the Hill's anisotropic analogy. Experiments are conducted on the directionally-solidified bucket material DS GTD-111. The constitutive model is implemented in a user programmable feature (UPF) in ANSYS FEA software. The ability of the constitutive model to regress to the Kachanov-Rabotnov isotropic tertiary creep damage model is demonstrated through comparison with uniaxial experiments. A parametric study of both material orientation and stress rotation are conducted. Results indicate that creep deformation is modeled accurately; however an improved damage evolution law may be necessary. - Highlights: → The deformation of anisotropic creeping solid is directionally dependent. → Few constitutive models have been developed to deal with anisotropic behavior. → A transversely-isotropic nickel base superalloy, DS GTD-111, is studied. → A vector constitutive model based on the Kachanov-Rabotnov formulation is developed. → The new model accurately models deformation at various orientations.

  17. Spatially resolved stochastic cluster dynamics for radiation damage evolution in nanostructured metals

    International Nuclear Information System (INIS)

    Dunn, Aaron Y.; Capolungo, Laurent; Martinez, Enrique; Cherkaoui, Mohammed

    2013-01-01

    A spatially resolved stochastic cluster dynamics (SRSCD) model is introduced to describe radiation-induced defect evolution in metals. The stochastic nature of the method allows SRSCD to model more chemical species and more mobile defects than rate theory methods without loss of computational efficiency, while reaching larger timescales and simulating larger volumes than object-oriented kinetic Monte Carlo (OKMC) methods. To comprehend the capabilities of the method and access new understanding of defect evolution, SRSCD is used in three scenarios. In the first, the results of Frenkel pair implantation are found to match those of rate theory in both spatially homogeneous and spatially resolved media. Next, to study spatial resolution effects and correspondence to OKMC, the results of 20 keV cascade implantation into copper is simulated and an acceptable match with OKMC is found. Finally the method is used to study the problem of helium desorption in thin iron foils. The model is compared with available experimental measures and is found to be in good agreement. The ability of SRSCD to include many mobile species of defects allows a detailed analysis of the mechanisms of helium release from the free surface of the iron foils. As a result new dominant mechanisms of helium release are discussed as well as their operating regimes

  18. Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N

    International Nuclear Information System (INIS)

    Zhang, Yi; Nelson, R.; Siddiqui, Elisha; Tam, K.-M.; Yu, University

    2016-01-01

    We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga-1 - - - x Mn-x N, and find the impurity band is completely localized for Mn concentrations x < 0.03, while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit (x ≈ 0.10) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.

  19. Cluster dynamics modeling and experimental investigation of the effect of injected interstitials

    Science.gov (United States)

    Michaut, B.; Jourdan, T.; Malaplate, J.; Renault-Laborne, A.; Sefta, F.; Décamps, B.

    2017-12-01

    The effect of injected interstitials on loop and cavity microstructures is investigated experimentally and numerically for 304L austenitic stainless steel irradiated at 450 °C with 10 MeV Fe5+ ions up to about 100 dpa. A cluster dynamics model is parametrized on experimental results obtained by transmission electron microscopy (TEM) in a region where injected interstitials can be safely neglected. It is then used to model the damage profile and study the impact of self-ion injection. Results are compared to TEM observations on cross-sections of specimens. It is shown that injected interstitials have a significant effect on cavity density and mean size, even in the sink-dominated regime. To quantitatively match the experimental data in the self-ions injected area, a variation of some parameters is necessary. We propose that the fraction of freely migrating species may vary as a function of depth. Finally, we show that simple rate theory considerations do not seem to be valid for these experimental conditions.

  20. Dynamics of fractal cluster colloidal gels with embedded active Janus particles

    Science.gov (United States)

    Solomon, Michael; Szakasits, Megan; Zhang, Wenxuan

    We find that fractal cluster gels of colloids in which platinum-coated Janus particles have been embedded exhibit enhanced mobility when the Janus particles are made active by the addition of hydrogen peroxide. Gelation is induced through addition of a divalent salt, magnesium chloride, to an initially stable suspension of Janus and polystyrene colloids, each of size about 1 micron. After the gels have been created, the embedded Janus colloids are activated by hydrogen peroxide, which is delivered to the system through a porous hydrogel membrane. We vary the ratio of active to passive colloids in the gels from about 1:20 to 1:8. Changes in structure and dynamics are visualized by two channel confocal laser scanning microscopy. By image analysis, we determine the particle positions and compute the mean squared displacement (MSD) of all particles in the gel. We measure the mobility enhancement in the fractal gels as a function of hydrogen peroxide concentration and Janus particle concentration and discuss the results in terms of the force provided by each active particle to the fractal gel network.

  1. "Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters

    Science.gov (United States)

    Di Liberto, Giovanni; Conte, Riccardo; Ceotto, Michele

    2018-03-01

    We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Liberto, and R. Conte, Phys. Rev. Lett. 119, 010401 (2017)]. This technique allows us to simulate quantum vibrational spectra of high-dimensional systems starting from full-dimensional classical trajectories and projection of the semiclassical propagator onto a set of lower dimensional subspaces. The potential energy surface employed is a many-body representation up to three-body terms, in which monomers and two-body interactions are described by the high level Wang-Huang-Braams-Bowman (WHBB) water potential, while, for three-body interactions, calculations adopt a fast permutationally invariant ab initio surface at the same level of theory of the WHBB 3-body potential. Applications range from the water dimer up to the water decamer, a system made of 84 vibrational degrees of freedom. Results are generally in agreement with previous variational estimates in the literature. This is particularly true for the bending and the high-frequency stretching motions, while estimates of modes strongly influenced by hydrogen bonding are red shifted, in a few instances even substantially, as a consequence of the dynamical and global picture provided by the semiclassical approach.

  2. [Dynamic study of small metallic clusters]; Estudio Dinamico de Pequenos Agregados Metalicos

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, M.J. [Valladolid Univ. (Spain). Dept. de Fisica Teorica; Jellinek, J. [Argonne National Lab., IL (United States)

    1995-12-31

    We present a brief introduction to computer simulation techniques (particularly to classical molecular dynamics) and their application to the study of the thermodynamic properties of a material system. The basic concepts are illustrated in the study of structural and energetic properties such as the liquid-solid transition and the fragmentation of small clusters of nickel. [Espanol] Presentamos una breve introducci{acute o}n de las t{acute e}cnicas de simulaci{acute o}n por ordenador (en particular de la Din{acute a}mica Molecular cl{acute a}sica) y de su aplicaci{acute o}n al estudio de las propiedades termodin{acute a}micas de un sistema material. Los conceptos b{acute a}sicos se ilustran en el estudio de las propieades estructurales y energ{acute e}ticas, as{acute i} como de la transici{acute o}n de fase s{acute o}lido-l{acute i}quido y de las fragmentaciones de peque{tilde n}os agregados de n{acute i}quel.

  3. Phase transformation during silica cluster impact on crystal silicon substrate studied by molecular dynamics simulation

    International Nuclear Information System (INIS)

    Chen Ruling; Luo Jianbin; Guo Dan; Lu Xinchun

    2008-01-01

    The process of a silica cluster impact on a crystal silicon substrate is studied by molecular dynamics simulation. At the impact loading stage, crystal silicon of the impact zone transforms to a locally ordered molten with increasing the local temperature and pressure of the impact zone. And then the transient molten forms amorphous silicon directly as the local temperature and pressure decrease at the impact unloading stage. Moreover, the phase behavior between the locally ordered molten and amorphous silicon exhibits the reversible structural transition. The transient molten contains not only lots of four-fold atom but also many three- and five-fold atoms. And the five-fold atom is similar to the mixture structure of semi-Si-II and semi-bct5-Si. The structure transformation between five- and four-fold atoms is affected by both pressure and temperature. The structure transformation between three- and four-fold atoms is affected mostly by temperature. The direct structure transformation between five- and three-fold atoms is not observed. Finally, these five- and three-fold atoms are also different from the usual five- and three-fold deficient atoms of amorphous silicon. In addition, according to the change of coordination number of atoms the impact process is divided into six stages: elastic, plastic, hysteresis, phase regressive, adhesion and cooling stages

  4. An efficient implementation of parallel molecular dynamics method on SMP cluster architecture

    International Nuclear Information System (INIS)

    Suzuki, Masaaki; Okuda, Hiroshi; Yagawa, Genki

    2003-01-01

    The authors have applied MPI/OpenMP hybrid parallel programming model to parallelize a molecular dynamics (MD) method on a symmetric multiprocessor (SMP) cluster architecture. In that architecture, it can be expected that the hybrid parallel programming model, which uses the message passing library such as MPI for inter-SMP node communication and the loop directive such as OpenMP for intra-SNP node parallelization, is the most effective one. In this study, the parallel performance of the hybrid style has been compared with that of conventional flat parallel programming style, which uses only MPI, both in cases the fast multipole method (FMM) is employed for computing long-distance interactions and that is not employed. The computer environments used here are Hitachi SR8000/MPP placed at the University of Tokyo. The results of calculation are as follows. Without FMM, the parallel efficiency using 16 SMP nodes (128 PEs) is: 90% with the hybrid style, 75% with the flat-MPI style for MD simulation with 33,402 atoms. With FMM, the parallel efficiency using 16 SMP nodes (128 PEs) is: 60% with the hybrid style, 48% with the flat-MPI style for MD simulation with 117,649 atoms. (author)

  5. Cluster dynamics modeling of He accumulation kinetics in W exposed to low-energy He plasma exposure

    Science.gov (United States)

    Blondel, Sophie; Maroudas, Dimitrios; Hu, Lin; Hammond, Karl; Wirth, Brian; PSI SciDAC Collaboration

    2015-11-01

    We report a hierarchical multi-scale modeling study of implanted helium segregation to surfaces of tungsten, considered as a plasma facing component in nuclear fusion reactors. We employ a hierarchy of atomic-scale simulations based on a reliable interatomic interaction potential, including molecular-statics and molecular dynamics simulations to understand the origin of helium surface segregation. The near-surface cluster dynamics found in these simulations have significant effects on the surface morphology, near-surface defect structures, and the amount of helium retained in the material upon plasma exposure. We integrate the findings of such atomic-scale simulations into a properly parameterized and validated spatially-dependent, continuum-scale reaction-diffusion cluster dynamics model, capable of predicting implanted helium evolution, surface segregation, and its near-surface effects in tungsten. This cluster-dynamics model sets the stage for development of fully atomistically informed coarse-grained models for computationally efficient simulation predictions, toward optimal design of plasma facing components.

  6. Material Induced Anisotropic Damage in DP600

    NARCIS (Netherlands)

    Niazi, Muhammad Sohail; Wisselink, H.H.; Meinders, Vincent T.; van den Boogaard, Antonius H.

    2013-01-01

    Plasticity induced damage development in metals is anisotropic by nature. The anisotropy in damage is driven by two different phenomena; anisotropic deformation state i.e. Load Induced Anisotropic Damage (LIAD) and anisotropic microstructure i.e. Material Induced Anisotropic Damage (MIAD). The

  7. Stress propagation in isotropic packs with anisotropic boundaries

    Science.gov (United States)

    Krapf, Nathan; Witten, Thomas

    2010-03-01

    Stresses in marginally jammed, anisotropic packs built up from a solid floor propagate along oblique rays toward the floor footnotetext D. A. Head, A. V. Tkachenko, and T. A. Witten. Eur. Phys. J. E 6, 99-105 (2001)). This clear anisotropic propagation must result from anisotropic packing and/or anisotropic boundary conditions. Here we numerically isolate the effect of anisotropic boundaries by using an explicitly isotropic periodic pack in a marginally jammed, isostatic state. We then remove the periodicity in one direction and anchor the beads along one edge to a substrate. This preserves the isostatic condition while rendering the boundary anisotropic. However, we find hyperstatic modes along one edge of the pack and hypostatic modes at the other. We show that these extra modes decay rapidly away from the boundaries. Remarkably the hypostatic modes cause the pack to be unstable under any force applied to a single bead. This instability can be remedied by applying a suitable cluster of forces to adjacent beads, allowing a clear measurement of the bulk response. We discuss the resulting stress response.

  8. Growth of CdTe on Si(100) surface by ionized cluster beam technique: Experimental and molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Araghi, Houshang, E-mail: araghi@aut.ac.ir [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Zabihi, Zabiholah [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Nayebi, Payman [Department of Physics, College of Technical and Engineering, Saveh Branch, Islamic Azad University, Saveh (Iran, Islamic Republic of); Ehsani, Mohammad Mahdi [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)

    2016-10-15

    II–VI semiconductor CdTe was grown on the Si(100) substrate surface by the ionized cluster beam (ICB) technique. In the ICB method, when vapors of solid materials such as CdTe were ejected through a nozzle of a heated crucible into a vacuum region, nanoclusters were created by an adiabatic expansion phenomenon. The clusters thus obtained were partially ionized by electron bombardment and then accelerated onto the silicon substrate at 473 K by high potentials. The cluster size was determined using a retarding field energy analyzer. The results of X-ray diffraction measurements indicate the cubic zinc blende (ZB) crystalline structure of the CdTe thin film on the silicon substrate. The CdTe thin film prepared by the ICB method had high crystalline quality. The microscopic processes involved in the ICB deposition technique, such as impact and coalescence processes, have been studied in detail by molecular dynamics (MD) simulation.

  9. The clustering of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey DR14 quasar sample: Anisotropic Baryon Acoustic Oscillations measurements in Fourier-space with optimal redshift weights

    Science.gov (United States)

    Wang, Dandan; Zhao, Gong-Bo; Wang, Yuting; Percival, Will J.; Ruggeri, Rossana; Zhu, Fangzhou; Tojeiro, Rita; Myers, Adam D.; Chuang, Chia-Hsun; Baumgarten, Falk; Zhao, Cheng; Gil-Marín, Héctor; Ross, Ashley J.; Burtin, Etienne; Zarrouk, Pauline; Bautista, Julian; Brinkmann, Jonathan; Dawson, Kyle; Brownstein, Joel R.; de la Macorra, Axel; Schneider, Donald P.; Shafieloo, Arman

    2018-03-01

    We present a measurement of the anisotropic and isotropic Baryon Acoustic Oscillations (BAO) from the extended Baryon Oscillation Spectroscopic Survey Data Release 14 quasar sample with optimal redshift weights. Applying the redshift weights improves the constraint on the BAO dilation parameter α(zeff) by 17%. We reconstruct the evolution history of the BAO distance indicators in the redshift range of 0.8 < z < 2.2. This paper is part of a set that analyses the eBOSS DR14 quasar sample.

  10. Anisotropic Concrete Compressive Strength

    DEFF Research Database (Denmark)

    Gustenhoff Hansen, Søren; Jørgensen, Henrik Brøner; Hoang, Linh Cao

    2017-01-01

    When the load carrying capacity of existing concrete structures is (re-)assessed it is often based on compressive strength of cores drilled out from the structure. Existing studies show that the core compressive strength is anisotropic; i.e. it depends on whether the cores are drilled parallel...... correlation to the curing time. The experiments show no correlation between the anisotropy and the curing time and a small strength difference between the two drilling directions. The literature shows variations on which drilling direction that is strongest. Based on a Monto Carlo simulation of the expected...

  11. High-Density Microfluidic Particle-Cluster-Array Device for Parallel and Dynamic Study of Interaction between Engineered Particles.

    Science.gov (United States)

    Kim, Hojin; Lee, Sanghyun; Lee, Wonhyung; Kim, Joonwon

    2017-08-01

    A high-density and high-performance microfluidic particle-cluster-array device utilizing a novel hydrodynamically tunable pneumatic valve (HTPV) is reported for parallel and dynamic monitoring of the interactions taking place in particle clusters. The key concept involves passive operation of the HTPV through elastic deformation of a thin membrane using only the hydrodynamic force inherent in microchannel flows. This unique feature allows the discrete and high-density (≈30 HTPVs mm -2 ) arrangement of numerous HTPVs in a microfluidic channel without any pneumatic connection. In addition, the HTPV achieves high-performance clustering (≈92%) of three different particles in an array format through the optimization of key design and operating parameters. Finally, a contamination-free, parallel, and dynamic biochemical analysis strategy is proposed, which employs a simple one-inlet-one-outlet device operated by the effective combination of several techniques, including particle clustering, the interactions between engineered particles, two-phase partitioning and dehydration control of aqueous plugs, and shape/color-based particle identification. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Fragmentation dynamics of ionized neon clusters (Ne(n), n=3-14) embedded in helium nanodroplets.

    Science.gov (United States)

    Bonhommeau, David; Halberstadt, Nadine; Viel, Alexandra

    2006-01-14

    We report a theoretical study of the nonadiabatic fragmentation dynamics of ionized neon clusters embedded in helium nanodroplets for cluster sizes up to n=14 atoms. The dynamics of the neon atoms is modeled using the molecular dynamics with quantum transitions method of Tully [J. Chem. Phys. 93, 1061 (1990)] with the nuclei treated classically and transitions between electronic states quantum mechanically. The potential-energy surfaces are derived from a diatomics-in-molecules model to which induced dipole-induced dipole interactions are added. The effect of the spin-orbit interaction is also discussed. The helium environment is modeled by a friction force acting on charged atoms whose speed exceeds the critical Landau velocity. The dependence of the fragment size distribution on the friction strength and on the initial nanodroplet size is investigated. By comparing with the available experimental data obtained for Ne3+ and Ne4+, a reasonable value for the friction coefficient, the only parameter of the model, is deduced. This value is then used to predict the effect of the helium environment on the dissociation dynamics of larger neon clusters, n=5-14. The results show stabilization of larger fragments than in the gas phase, but fragmentation is not completely caged. In addition, two types of dynamics are characterized for Ne4+: fast and explosive, therefore leaving no time for friction to cool down the process when dynamics starts on one of the highest electronic states, and slower, therefore leading to some stabilization by helium when it starts on one of the lowest electronic states.

  13. The role of reducing agents in the nucleation and growth of Al metalloid clusters: Ab initio molecular dynamic study

    Science.gov (United States)

    Alnemrat, Sufian

    2017-06-01

    Ab initio simulations are used to study the growth of metalloid aluminum clusters from their monohalide (AlCl) precursors. Molecular dynamics (MD) simulation is used to study the role of reducing agents in the growth process of Al metalloid clusters. Car-Parrinello MD simulations of AlCl liquid and Lithium-Aluminum Hydride reducing agent (LiAlH4) show spontaneous metalloid cluster growth. The growth process is initiated by transferring a proton to a nearby Al atom that helps forming trivalent impurities (AlCl3) in the solution. Growth towards larger metalloid clusters then proceeds via repeated insertion of AlCl into Al-Cl bonds as well as elimination of AlCl3 species. The transferred proton plays a significant role in reducing additional monohalide species from the solution. The energy barrier associated with the Al-Cl bond is dropped from 7.8 eV to 4 eV via proton-hopping between Al centers. However, this process is completely prohibited in the case of sodium borohydride (NaBH4) reducing agent due to strong Coulomb interactions between Na and B centers. Repeated insertion of additional AlCl monomers towards larger clusters was not observed within the same time scale of the previous simulations.

  14. Anisotropic cosmological solutions in massive vector theories

    International Nuclear Information System (INIS)

    Heisenberg, Lavinia; Kase, Ryotaro; Tsujikawa, Shinji

    2016-01-01

    In beyond-generalized Proca theories including the extension to theories higher than second order, we study the role of a spatial component v of a massive vector field on the anisotropic cosmological background. We show that, as in the case of the isotropic cosmological background, there is no additional ghostly degrees of freedom associated with the Ostrogradski instability. In second-order generalized Proca theories we find the existence of anisotropic solutions on which the ratio between the anisotropic expansion rate Σ and the isotropic expansion rate H remains nearly constant in the radiation-dominated epoch. In the regime where Σ/ H is constant, the spatial vector component v works as a dark radiation with the equation of state close to 1/3. During the matter era, the ratio Σ/ H decreases with the decrease of v . As long as the conditions |Σ| || H and v 2 || φ 2 are satisfied around the onset of late-time cosmic acceleration, where φ is the temporal vector component, we find that the solutions approach the isotropic de Sitter fixed point (Σ = 0 = v ) in accordance with the cosmic no-hair conjecture. In the presence of v and Σ the early evolution of the dark energy equation of state w DE in the radiation era is different from that in the isotropic case, but the approach to the isotropic value w DE (iso) typically occurs at redshifts z much larger than 1. Thus, apart from the existence of dark radiation, the anisotropic cosmological dynamics at low redshifts is similar to that in isotropic generalized Proca theories. In beyond-generalized Proca theories the only consistent solution to avoid the divergence of a determinant of the dynamical system corresponds to v = 0, so Σ always decreases in time.

  15. How clustering dynamics influence lumber utilization patterns in the Amish-based furniture industry in Ohio

    Science.gov (United States)

    Matthew S. Bumgardner; Gary W. Graham; P. Charles Goebel; Robert L. Romig

    2011-01-01

    Preliminary studies have suggested that the Amish-based furniture and related products manufacturing cluster located in and around Holmes County, Ohio, uses sizeable quantities of hardwood lumber. The number of firms within the cluster has grown even as the broader domestic furniture manufacturing sector has contracted. The present study was undertaken in 2008 (spring/...

  16. Ab-initio molecular dynamics studies of magnesium-doped sodium clusters

    International Nuclear Information System (INIS)

    Roethlisberger, U.; Andreoni, W.

    1993-01-01

    Structural, electronic, and vibrational properties of magnesium-doped sodium clusters have been determined using the Car-Parrinello method. It is found that in the energetically preferred structures the magnesium impurity never is located at the centre of the cluster. The validity of spherical jellium models and the effects of temperature are discussed. 9 refs, 3 figs, 1 tab

  17. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.

    Science.gov (United States)

    Mannix, Andrew J; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D; Alducin, Diego; Myers, Benjamin D; Liu, Xiaolong; Fisher, Brandon L; Santiago, Ulises; Guest, Jeffrey R; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R; Hersam, Mark C; Guisinger, Nathan P

    2015-12-18

    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. Copyright © 2015, American Association for the Advancement of Science.

  18. Prediction of chemotherapeutic response in bladder cancer using K-means clustering of dynamic contrast-enhanced (DCE)-MRI pharmacokinetic parameters.

    Science.gov (United States)

    Nguyen, Huyen T; Jia, Guang; Shah, Zarine K; Pohar, Kamal; Mortazavi, Amir; Zynger, Debra L; Wei, Lai; Yang, Xiangyu; Clark, Daniel; Knopp, Michael V

    2015-05-01

    To apply k-means clustering of two pharmacokinetic parameters derived from 3T dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) to predict the chemotherapeutic response in bladder cancer at the mid-cycle timepoint. With the predetermined number of three clusters, k-means clustering was performed on nondimensionalized Amp and kep estimates of each bladder tumor. Three cluster volume fractions (VFs) were calculated for each tumor at baseline and mid-cycle. The changes of three cluster VFs from baseline to mid-cycle were correlated with the tumor's chemotherapeutic response. Receiver-operating-characteristics curve analysis was used to evaluate the performance of each cluster VF change as a biomarker of chemotherapeutic response in bladder cancer. The k-means clustering partitioned each bladder tumor into cluster 1 (low kep and low Amp), cluster 2 (low kep and high Amp), cluster 3 (high kep and low Amp). The changes of all three cluster VFs were found to be associated with bladder tumor response to chemotherapy. The VF change of cluster 2 presented with the highest area-under-the-curve value (0.96) and the highest sensitivity/specificity/accuracy (96%/100%/97%) with a selected cutoff value. The k-means clustering of the two DCE-MRI pharmacokinetic parameters can characterize the complex microcirculatory changes within a bladder tumor to enable early prediction of the tumor's chemotherapeutic response. © 2014 Wiley Periodicals, Inc.

  19. Transient anisotropic magnetic field calculation

    International Nuclear Information System (INIS)

    Jesenik, Marko; Gorican, Viktor; Trlep, Mladen; Hamler, Anton; Stumberger, Bojan

    2006-01-01

    For anisotropic magnetic material, nonlinear magnetic characteristics of the material are described with magnetization curves for different magnetization directions. The paper presents transient finite element calculation of the magnetic field in the anisotropic magnetic material based on the measured magnetization curves for different magnetization directions. For the verification of the calculation method some results of the calculation are compared with the measurement

  20. K-means clustering for optimal partitioning and dynamic load balancing of parallel hierarchical N-body simulations

    International Nuclear Information System (INIS)

    Marzouk, Youssef M.; Ghoniem, Ahmed F.

    2005-01-01

    A number of complex physical problems can be approached through N-body simulation, from fluid flow at high Reynolds number to gravitational astrophysics and molecular dynamics. In all these applications, direct summation is prohibitively expensive for large N and thus hierarchical methods are employed for fast summation. This work introduces new algorithms, based on k-means clustering, for partitioning parallel hierarchical N-body interactions. We demonstrate that the number of particle-cluster interactions and the order at which they are performed are directly affected by partition geometry. Weighted k-means partitions minimize the sum of clusters' second moments and create well-localized domains, and thus reduce the computational cost of N-body approximations by enabling the use of lower-order approximations and fewer cells. We also introduce compatible techniques for dynamic load balancing, including adaptive scaling of cluster volumes and adaptive redistribution of cluster centroids. We demonstrate the performance of these algorithms by constructing a parallel treecode for vortex particle simulations, based on the serial variable-order Cartesian code developed by Lindsay and Krasny [Journal of Computational Physics 172 (2) (2001) 879-907]. The method is applied to vortex simulations of a transverse jet. Results show outstanding parallel efficiencies even at high concurrencies, with velocity evaluation errors maintained at or below their serial values; on a realistic distribution of 1.2 million vortex particles, we observe a parallel efficiency of 98% on 1024 processors. Excellent load balance is achieved even in the face of several obstacles, such as an irregular, time-evolving particle distribution containing a range of length scales and the continual introduction of new vortex particles throughout the domain. Moreover, results suggest that k-means yields a more efficient partition of the domain than a global oct-tree

  1. Combining in situ transmission electron microscopy irradiation experiments with cluster dynamics modeling to study nanoscale defect agglomeration in structural metals

    International Nuclear Information System (INIS)

    Xu Donghua; Wirth, Brian D.; Li Meimei; Kirk, Marquis A.

    2012-01-01

    We present a combinatorial approach that integrates state-of-the-art transmission electron microscopy (TEM) in situ irradiation experiments and high-performance computing techniques to study irradiation defect dynamics in metals. Here, we have studied the evolution of visible defect clusters in nanometer-thick molybdenum foils under 1 MeV krypton ion irradiation at 80 °C through both cluster dynamics modeling and in situ TEM experiments. The experimental details are reported elsewhere; we focus here on the details of model construction and comparing the model with the experiments. The model incorporates continuous production of point defects and/or small clusters, and the accompanying interactions, which include clustering, recombination and loss to the surfaces that result from the diffusion of the mobile defects. To account for the strong surface effect in thin TEM foils, the model includes one-dimensional spatial dependence along the foil depth, and explicitly treats the surfaces as black sinks. The rich amount of data (cluster number density and size distribution at a variety of foil thickness, irradiation dose and dose rate) offered by the advanced in situ experiments has allowed close comparisons with computer modeling and permitted significant validation and optimization of the model in terms of both physical model construct (damage production mode, identities of mobile defects) and parameterization (diffusivities of mobile defects). The optimized model exhibits good qualitative and quantitative agreement with the in situ TEM experiments. The combinatorial approach is expected to bring a unique opportunity for the study of radiation damage in structural materials.

  2. Correlation theory of crystal field and anisotropic exchange effects

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1985-01-01

    A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds. The the......A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds...... on the susceptibility, the first and second moment frequencies and the line shape are calculated self-consistently....

  3. A Comparison of Alternative Distributed Dynamic Cluster Formation Techniques for Industrial Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Mohammad Gholami

    2016-01-01

    Full Text Available In this paper, we investigate alternative distributed clustering techniques for wireless sensor node tracking in an industrial environment. The research builds on extant work on wireless sensor node clustering by reporting on: (1 the development of a novel distributed management approach for tracking mobile nodes in an industrial wireless sensor network; and (2 an objective comparison of alternative cluster management approaches for wireless sensor networks. To perform this comparison, we focus on two main clustering approaches proposed in the literature: pre-defined clusters and ad hoc clusters. These approaches are compared in the context of their reconfigurability: more specifically, we investigate the trade-off between the cost and the effectiveness of competing strategies aimed at adapting to changes in the sensing environment. To support this work, we introduce three new metrics: a cost/efficiency measure, a performance measure, and a resource consumption measure. The results of our experiments show that ad hoc clusters adapt more readily to changes in the sensing environment, but this higher level of adaptability is at the cost of overall efficiency.

  4. A Comparison of Alternative Distributed Dynamic Cluster Formation Techniques for Industrial Wireless Sensor Networks.

    Science.gov (United States)

    Gholami, Mohammad; Brennan, Robert W

    2016-01-06

    In this paper, we investigate alternative distributed clustering techniques for wireless sensor node tracking in an industrial environment. The research builds on extant work on wireless sensor node clustering by reporting on: (1) the development of a novel distributed management approach for tracking mobile nodes in an industrial wireless sensor network; and (2) an objective comparison of alternative cluster management approaches for wireless sensor networks. To perform this comparison, we focus on two main clustering approaches proposed in the literature: pre-defined clusters and ad hoc clusters. These approaches are compared in the context of their reconfigurability: more specifically, we investigate the trade-off between the cost and the effectiveness of competing strategies aimed at adapting to changes in the sensing environment. To support this work, we introduce three new metrics: a cost/efficiency measure, a performance measure, and a resource consumption measure. The results of our experiments show that ad hoc clusters adapt more readily to changes in the sensing environment, but this higher level of adaptability is at the cost of overall efficiency.

  5. Thermodynamics of anisotropic branes

    Energy Technology Data Exchange (ETDEWEB)

    Ávila, Daniel [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Fernández, Daniel [Max-Planck-Institut für Physik,Föhringer Ring 6, 80805 München (Germany); Patiño, Leonardo [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Trancanelli, Diego [Institute of Physics, University of São Paulo,05314-970 São Paulo (Brazil)

    2016-11-22

    We study the thermodynamics of flavor D7-branes embedded in an anisotropic black brane solution of type IIB supergravity. The flavor branes undergo a phase transition between a ‘Minkowski embedding’, in which they lie outside of the horizon, and a ‘black hole embedding’, in which they fall into the horizon. This transition depends on the black hole temperature, its degree of anisotropy, and the mass of the flavor degrees of freedom. It happens either at a critical temperature or at a critical anisotropy. A general lesson we learn from this analysis is that the anisotropy, in this particular realization, induces similar effects as the temperature. In particular, increasing the anisotropy bends the branes more and more into the horizon. Moreover, we observe that the transition becomes smoother for higher anisotropies.

  6. Anisotropic Rabi model

    Directory of Open Access Journals (Sweden)

    Qiong-Tao Xie

    2014-06-01

    Full Text Available We define the anisotropic Rabi model as the generalization of the spin-boson Rabi model: The Hamiltonian system breaks the parity symmetry; the rotating and counterrotating interactions are governed by two different coupling constants; a further parameter introduces a phase factor in the counterrotating terms. The exact energy spectrum and eigenstates of the generalized model are worked out. The solution is obtained as an elaboration of a recently proposed method for the isotropic limit of the model. In this way, we provide a long-sought solution of a cascade of models with immediate relevance in different physical fields, including (i quantum optics, a two-level atom in single-mode cross-electric and magnetic fields; (ii solid-state physics, electrons in semiconductors with Rashba and Dresselhaus spin-orbit coupling; and (iii mesoscopic physics, Josephson-junction flux-qubit quantum circuits.

  7. Multi-agent grid system Agent-GRID with dynamic load balancing of cluster nodes

    Science.gov (United States)

    Satymbekov, M. N.; Pak, I. T.; Naizabayeva, L.; Nurzhanov, Ch. A.

    2017-12-01

    In this study the work presents the system designed for automated load balancing of the contributor by analysing the load of compute nodes and the subsequent migration of virtual machines from loaded nodes to less loaded ones. This system increases the performance of cluster nodes and helps in the timely processing of data. A grid system balances the work of cluster nodes the relevance of the system is the award of multi-agent balancing for the solution of such problems.

  8. Gold-thiolate cluster emission from SAMs under keV ion bombardment: Experiments and molecular dynamics simulations

    International Nuclear Information System (INIS)

    Arezki, B.; Delcorte, A.; Chami, A.C.; Garrison, B.J.; Bertrand, P.

    2003-01-01

    In this contribution the emission of gold-molecule cluster ions from self-assembled monolayers (SAMs) of alkanethiols on gold is investigated using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Layers of alkanethiols [CH 3 (CH 2 ) n SH] with various chain lengths (n=8, 12, 16) have been chosen because they form well-ordered molecular monolayers on gold. First, we compare and interpret the yields and energy spectra of gold-thiolate cluster ions, obtained for different thiol sizes. Our results show that the unimolecular dissociation of larger aggregates in the acceleration section of the spectrometer constitutes a significant formation channel for gold-molecule clusters. Second, we present preliminary results of molecular dynamics simulations performed in order to improve our understanding of the cluster emission processes. These calculations have been conducted using 8 keV projectiles and a long-range term in the hydrocarbon potential in order to account for the van der Waals forces between the thiol chains

  9. Application of the anisotropic phase-field crystal model to investigate the lattice systems of different anisotropic parameters and orientations

    Science.gov (United States)

    Kundin, Julia; Ajmal Choudhary, Muhammad

    2017-07-01

    In this article, we present the recent advances in the development of the anisotropic phase-field crystal (APFC) model. These advances are important in basic researches for multiferroic and thermoelectric materials with anisotropic crystal lattices and in thin-film applications. We start by providing a general description of the model derived in our previous studies based on the crystal symmetry and the microscopic dynamical density functional theory for anisotropic interactions and show that there exist only two possible degrees of freedom for the anisotropic lattices which are described by two independent parameters. New findings concerning the applications of the APFC model for the estimation of the elastic modules of anisotropic systems including sheared and stretched lattices as well as for the investigation of the heterogeneous thin film growth are described. The simulation results demonstrate the strong dependency of the misfit dislocation formation during the film growth on the anisotropy and reveal the asymmetric behavior in the cases of positive and negative misfits. We also present the development of the amplitude representation for the full APFC model of two orientation variants and show the relationship between the wave vectors and the base angles of the anisotropic lattices.

  10. Large scale kinematics and dynamical modelling of the Milky Way nuclear star cluster

    Science.gov (United States)

    Feldmeier, A.; Neumayer, N.; Seth, A.; Schödel, R.; Lützgendorf, N.; de Zeeuw, P. T.; Kissler-Patig, M.; Nishiyama, S.; Walcher, C. J.

    2014-10-01

    Context. Within the central 10 pc of our Galaxy lies a dense cluster of stars. This nuclear star cluster forms a distinct component of the Galaxy, and similar nuclear star clusters are found in most nearby spiral and elliptical galaxies. Studying the structure and kinematics of nuclear star clusters reveals the history of mass accretion and growth of galaxy nuclei and central massive black holes. Aims: Because the Milky Way nuclear star cluster is at a distance of only 8 kpc, we can spatially resolve the cluster on sub-parsec scales. This makes the Milky Way nuclear star cluster a reference object for understanding the formation of all nuclear star clusters. Methods: We have used the near-infrared long-slit spectrograph ISAAC (VLT) in a drift-scan to construct an integral-field spectroscopic map of the central ˜9.5 × 8 pc of our Galaxy, and six smaller fields out to 19 pc along the Galactic plane. We use this spectroscopic data set to extract stellar kinematics both of individual stars and from the unresolved integrated light spectrum. We present a velocity and dispersion map from the integrated light spectra and model these kinematics using kinemetry and axisymmetric Jeans models. We also measure radial velocities and CO bandhead strengths of 1375 spectra from individual stars. Results: We find kinematic complexity in the nuclear star clusters radial velocity map including a misalignment of the kinematic position angle by 9◦ counterclockwise relative to the Galactic plane, and indications for a rotating substructure perpendicular to the Galactic plane at a radius of 20'' or ˜0.8 pc. We determine the mass of the nuclear star cluster within r = 4.2 pc to (1.4+0.6-0.7) × 107 M⊙. We also show that our kinematic data results in a significant underestimation of the supermassive black hole (SMBH) mass. Conclusions: The kinematic substructure and position angle misalignment may hint at distinct accretion events. This indicates that the Milky Way nuclear star

  11. Pressure and cooling rate effect on polyhedron clusters in Cu-Al alloy by using molecular dynamics simulation

    Science.gov (United States)

    Celik, Fatih Ahmet

    2014-10-01

    In this study, the microstructural evolution of crystal-type and icosahedral (icos)-type polyhedrons in Cu-50 at%Al alloy based on the embedded atom method (EAM) model is studied at two cooling rates under normal and high pressures by using the molecular dynamics (MD) simulation method. The cluster-type index method (CTIM) which describes icos and defective icos polyhedrons and the new cluster-type index method (CTIM-2) which describes crystal-type polyhedrons have been used to perform polyhedron analysis in the model alloy system. The results of our simulations demonstrate that the effects of the cooling rate and pressure play an important role in the numbers of polyhedrons and their structures in the system.

  12. Pressure and cooling rate effect on polyhedron clusters in Cu–Al alloy by using molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Celik, Fatih Ahmet, E-mail: facelik@beu.edu.tr

    2014-10-01

    In this study, the microstructural evolution of crystal-type and icosahedral (icos)-type polyhedrons in Cu–50 at%Al alloy based on the embedded atom method (EAM) model is studied at two cooling rates under normal and high pressures by using the molecular dynamics (MD) simulation method. The cluster-type index method (CTIM) which describes icos and defective icos polyhedrons and the new cluster-type index method (CTIM-2) which describes crystal-type polyhedrons have been used to perform polyhedron analysis in the model alloy system. The results of our simulations demonstrate that the effects of the cooling rate and pressure play an important role in the numbers of polyhedrons and their structures in the system.

  13. First principles study of vibrational dynamics of ceria-titania hybrid clusters

    Energy Technology Data Exchange (ETDEWEB)

    Majid, Abdul, E-mail: abdulmajid40@yahoo.com; Bibi, Maryam [University of Gujrat, Department of Physics (Pakistan)

    2017-04-15

    Density functional theory based calculations were performed to study vibrational properties of ceria, titania, and ceria-titania hybrid clusters. The findings revealed the dominance of vibrations related to oxygen when compared to those of metallic atoms in the clusters. In case of hybrid cluster, the softening of normal modes related to exterior oxygen atoms in ceria and softening/hardening of high/low frequency modes related to titania dimmers are observed. The results calculated for monomers conform to symmetry predictions according to which three IR and three Raman active modes were detected for TiO{sub 2}, whereas two IR active and one Raman active modes were observed for CeO{sub 2}. The comparative analysis indicates that the hybrid cluster CeTiO{sub 4} contains simultaneous vibrational fingerprints of the component dimmers. The symmetry, nature of vibrations, IR and Raman activity, intensities, and atomic involvement in different modes of the clusters are described in detail. The study points to engineering of CeTiO{sub 4} to tailor its properties for technological visible region applications in photocatalytic and electrochemical devices.

  14. Category dynamics and cluster spanning during the emergence of the Lebanese newspaper industry (1851–1879

    Directory of Open Access Journals (Sweden)

    Najib A. Mozahem

    2018-03-01

    Full Text Available Recently, researchers have started to pay more attention to a usually ignored topic: audience perceptions. Legitimacy, for example, is no longer modeled as the number of organizations in a population. It is now thought to be dependent on how audience members perceive these organizations. This paper will study how the newspaper industry in Lebanon emerged. The paper studies the period 1851–1879, building on the theoretic formulation of Hannan et al. (2007. The concept of cluster formation will also be introduced in order to help answer the question of whether unified identity projection is a necessary condition for successful legitimation and emergence. So far, research has produced diverging results as to the necessary conditions for successful legitimation. Cluster Analysis is used to show that in the case of the Lebanese newspaper industry, successful emergence was attained without the need to project a unified identity. In fact, the analysis clearly shows that there were two separate groups of clusters that had emerged by the end of the period. The nature of these two clusters will be investigated by looking at the category spanning activities of the newspapers that were members of the clusters. Keywords: TBC, Business, Industry, Information science

  15. Category dynamics and cluster spanning during the emergence of the Lebanese newspaper industry (1851-1879).

    Science.gov (United States)

    Mozahem, Najib A

    2018-03-01

    Recently, researchers have started to pay more attention to a usually ignored topic: audience perceptions. Legitimacy, for example, is no longer modeled as the number of organizations in a population. It is now thought to be dependent on how audience members perceive these organizations. This paper will study how the newspaper industry in Lebanon emerged. The paper studies the period 1851-1879, building on the theoretic formulation of Hannan et al. (2007). The concept of cluster formation will also be introduced in order to help answer the question of whether unified identity projection is a necessary condition for successful legitimation and emergence. So far, research has produced diverging results as to the necessary conditions for successful legitimation. Cluster Analysis is used to show that in the case of the Lebanese newspaper industry, successful emergence was attained without the need to project a unified identity. In fact, the analysis clearly shows that there were two separate groups of clusters that had emerged by the end of the period. The nature of these two clusters will be investigated by looking at the category spanning activities of the newspapers that were members of the clusters.

  16. RELATIVISTIC CYCLOTRON INSTABILITY IN ANISOTROPIC PLASMAS

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A.; Moya, Pablo S.; Muñoz, Víctor; Valdivia, J. Alejandro [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Navarro, Roberto E.; Araneda, Jaime A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Viñas, Adolfo F., E-mail: rlopez186@gmail.com [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, MD 20771 (United States)

    2016-11-20

    A sufficiently large temperature anisotropy can sometimes drive various types of electromagnetic plasma micro-instabilities, which can play an important role in the dynamics of relativistic pair plasmas in space, astrophysics, and laboratory environments. Here, we provide a detailed description of the cyclotron instability of parallel propagating electromagnetic waves in relativistic pair plasmas on the basis of a relativistic anisotropic distribution function. Using plasma kinetic theory and particle-in-cell simulations, we study the influence of the relativistic temperature and the temperature anisotropy on the collective and noncollective modes of these plasmas. Growth rates and dispersion curves from the linear theory show a good agreement with simulations results.

  17. Analysis of anisotropic shells containing flowing fluid

    International Nuclear Information System (INIS)

    Lakis, A.A.

    1983-01-01

    A general theory for the dynamic analysis of anisotropic thin cylindrical shells containing flowing fluid is presented. The shell may be uniform or non-uniform, provided it is geometrically axially symmetric. This is a finite- element theory, using cylindrical finite elements, but the displacement functions are determined by using classical shell theory. A new solution of the wave equation of the liquid finite element leads to an expression of the fluid pressure, p, as a function of the nodal displacements of the element and three operative forces (inertia, centrifugal and Coriolis) of the moving fluid. (Author) [pt

  18. Dynamical effects on binary X-ray sources in dense stellar clusters

    International Nuclear Information System (INIS)

    Shull, J.M.

    1979-01-01

    We examine the model in which the globular-cluster X-ray sources are binaries. Collisions of field stars in cores of dense clusters may shrink the orbits of tightly bound (''hard'') binaries, with important consequences for the evolution of X-ray sources if one component is a collapsed star. Exchange capture of field stars enables the binary to recycle its mass supplier and to undergo a number of intermittent stages of X-ray activity. ''Hard'' binaries may be formed by three-body encounters or by two-body tidal capture in clusters with large core densities and low velocity dispersions. Alternatively, as suggested by Hills, such objects may form by neutron-star or black-hole capture in exchange collisions with primordial binaries

  19. Cluster geometry and survival probability in systems driven by reaction-diffusion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Windus, Alastair; Jensen, Henrik J [The Institute for Mathematical Sciences, 53 Prince' s Gate, South Kensington, London SW7 2PG (United Kingdom)], E-mail: h.jensen@imperial.ac.uk

    2008-11-15

    We consider a reaction-diffusion model incorporating the reactions A{yields}{phi}, A{yields}2A and 2A{yields}3A. Depending on the relative rates for sexual and asexual reproduction of the quantity A, the model exhibits either a continuous or first-order absorbing phase transition to an extinct state. A tricritical point separates the two phase lines. While we comment on this critical behaviour, the main focus of the paper is on the geometry of the population clusters that form. We observe the different cluster structures that arise at criticality for the three different types of critical behaviour and show that there exists a linear relationship for the survival probability against initial cluster size at the tricritical point only.

  20. Disadvantage factor for anisotropic scattering

    International Nuclear Information System (INIS)

    Saad, E.A.; Abdel Krim, M.S.; EL-Dimerdash, A.A.

    1990-01-01

    The invariant embedding method is used to solve the problem for a two region reactor with anisotropic scattering and to compute the disadvantage factor necessary for calculating some reactor parameters

  1. Multi-agent grid system Agent-GRID with dynamic load balancing of cluster nodes

    Directory of Open Access Journals (Sweden)

    Satymbekov M.N.

    2017-12-01

    Full Text Available In this study the work presents the system designed for automated load balancing of the contributor by analysing the load of compute nodes and the subsequent migration of virtual machines from loaded nodes to less loaded ones. This system increases the performance of cluster nodes and helps in the timely processing of data. A grid system balances the work of cluster nodes the relevance of the system is the award of multi-agent balancing for the solution of such problems.

  2. Fragmentation dynamics of size selected pyrrole clusters prepared by electron impact ionization: Forming a solvated dimer ion core

    Czech Academy of Sciences Publication Activity Database

    Profant, V.; Poterya, Viktoriya; Fárník, Michal; Slavíček, P.; Buck, U.

    2007-01-01

    Roč. 111, č. 49 (2007), s. 12477-12486 ISSN 1089-5639 R&D Projects: GA AV ČR KAN400400651; GA ČR GA203/06/1290 Grant - others:GA ČR GP203/07/P449; University Grant(CZ) 8113-10/257852 Institutional research plan: CEZ:AV0Z40400503 Source of funding: V - iné verejné zdroje Keywords : pyrrole cluster s * structure * dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.918, year: 2007

  3. Hydrogen isotope dynamic effects on partially reduced paramagnetic six-atom Ag clusters in low-symmetry cage of zeolite A

    Directory of Open Access Journals (Sweden)

    Amgalanbaatar Baldansuren

    2016-12-01

    Full Text Available A well-defined, monodisperse Ag6+ cluster was prepared by mild chemical treatments including aqueous ion-exchange, dehydration, oxygen calcination at 673 K and hydrogen reduction 293 K, rather than autoreduction and irradiations with γ-ray and X-ray. H2 reduction was proved as a crucial step to form the nanosize cluster with six equivalent silver atoms. Hydrogen isotope exchange and dynamics were probed by EPR and HYSCORE to provide information relevant to the cluster geometry, size, charge state and spin state. Desorption experiments result in the deuterium desorption energy of 0.78 eV from the cluster, exceeding the experimental value of 0.38 eV for the single crystal Ag(111 surface. These experiments indicate that the EPR-active clusters are in delicate equilibrium with EPR-silent clusters.

  4. Photochemistry of Nitrophenol Molecules and Clusters: Intra- vs Intermolecular Hydrogen Bond Dynamics

    Czech Academy of Sciences Publication Activity Database

    Grygoryeva, Kateřina; Kubečka, J.; Pysanenko, Andriy; Lengyel, Jozef; Slavíček, Petr; Fárník, Michal

    2016-01-01

    Roč. 120, č. 24 (2016), s. 4139-4146 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GA15-12386S Institutional support: RVO:61388955 Keywords : photochemistry * clusters * laser techniques Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.847, year: 2016

  5. Automatic determination of the arterial input function in dynamic susceptibility contrast MRI: comparison of different reproducible clustering algorithms

    International Nuclear Information System (INIS)

    Yin, Jiandong; Yang, Jiawen; Guo, Qiyong

    2015-01-01

    Arterial input function (AIF) plays an important role in the quantification of cerebral hemodynamics. The purpose of this study was to select the best reproducible clustering method for AIF detection by comparing three algorithms reported previously in terms of detection accuracy and computational complexity. First, three reproducible clustering methods, normalized cut (Ncut), hierarchy (HIER), and fast affine propagation (FastAP), were applied independently to simulated data which contained the true AIF. Next, a clinical verification was performed where 42 subjects participated in dynamic susceptibility contrast MRI (DSC-MRI) scanning. The manual AIF and AIFs based on the different algorithms were obtained. The performance of each algorithm was evaluated based on shape parameters of the estimated AIFs and the true or manual AIF. Moreover, the execution time of each algorithm was recorded to determine the algorithm that operated more rapidly in clinical practice. In terms of the detection accuracy, Ncut and HIER method produced similar AIF detection results, which were closer to the expected AIF and more accurate than those obtained using FastAP method; in terms of the computational efficiency, the Ncut method required the shortest execution time. Ncut clustering appears promising because it facilitates the automatic and robust determination of AIF with high accuracy and efficiency. (orig.)

  6. Unravelling the escape dynamics and the nature of the normally hyperbolic invariant manifolds in tidally limited star clusters

    Science.gov (United States)

    Zotos, Euaggelos E.; Jung, Christof

    2017-02-01

    The escape mechanism of orbits in a star cluster rotating around its parent galaxy in a circular orbit is investigated. A three degrees of freedom model is used for describing the dynamical properties of the Hamiltonian system. The gravitational field of the star cluster is represented by a smooth and spherically symmetric Plummer potential. We distinguish between ordered and chaotic orbits as well as between trapped and escaping orbits, considering only unbounded motion for several energy levels. The Smaller ALignment Index (SALI) method is used for determining the regular or chaotic nature of the orbits. The basins of escape are located and they are also correlated with the corresponding escape time of the orbits. Areas of bounded regular or chaotic motion and basins of escape were found to coexist in the (x, z) plane. The properties of the normally hyperbolic invariant manifolds (NHIMs), located in the vicinity of the index-1 Lagrange points L1 and L2, are also explored. These manifolds are of paramount importance as they control the flow of stars over the saddle points, while they also trigger the formation of tidal tails observed in star clusters. Bifurcation diagrams of the Lyapunov periodic orbits as well as restrictions of the Poincaré map to the NHIMs are deployed for elucidating the dynamics in the neighbourhood of the saddle points. The extended tidal tails, or tidal arms, formed by stars with low velocity which escape through the Lagrange points are monitored. The numerical results of this work are also compared with previous related work.

  7. Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. IV. Coulomb explosion of molecular heteroclusters.

    Science.gov (United States)

    Last, Isidore; Jortner, Joshua

    2004-11-01

    In this paper we present a theoretical and computational study of the temporal dynamics and energetics of Coulomb explosion of (CD4)(n) and (CH4)(n) (n=55-4213) molecular heteroclusters in ultraintense (I=10(16)-10(19) W cm(-2)) laser fields, addressing the manifestation of electron dynamics, together with nuclear energetic and kinematic effects on the heterocluster Coulomb instability. The manifestations of the coupling between electron and nuclear dynamics were explored by molecular dynamics simulations for these heteroclusters coupled to Gaussian laser fields (pulse width tau=25 fs), elucidating outer ionization dynamics, nanoplasma screening effects (being significant for Icharges and masses. Nonuniform heterocluster Coulomb explosion (eta >1) manifests an overrun effect of the light ions relative to the heavy ions, exhibiting the expansion of two spatially separated subclusters, with the light ions forming the outer subcluster at the outer edge of the spatial distribution. Important features of the energetics of heterocluster Coulomb explosion originate from energetic triggering effects of the driving of the light ions by the heavy ions (C(4+) for I=10(17)-10(18) W cm(-2) and C(6+) for I=10(19) W cm(-2)), as well as for kinematic effects. Based on the CVI assumption, scaling laws for the cluster size (radius R(0)) dependence of the energetics of uniform Coulomb explosion of heteroclusters (eta=1) were derived, with the size dependence of the average (E(j,av)) and maximal (E(j,M)) ion energies being E(j,av)=aR(0) (2) and E(j,M)=(5a/3)R(0) (2), as well as for the ion energy distributions P(E(j)) proportional to E(j) (1/2); E(j)1) result in an isotope effect, predicting the enhancement (by 9%-11%) of E(H,av) for Coulomb explosion of (C(4+)H(4) (+))(eta) (eta=3) relative to E(D,av) for Coulomb explosion of (C(4+)D(4) (+))(eta) (eta=1.5), with the isotope effect being determined by the ratio of the kinematic parameters for the pair of Coulomb exploding clusters

  8. CHEMICAL ABUNDANCES IN NGC 5053: A VERY METAL-POOR AND DYNAMICALLY COMPLEX GLOBULAR CLUSTER

    Energy Technology Data Exchange (ETDEWEB)

    Boberg, Owen M.; Friel, Eileen D.; Vesperini, Enrico [Astronomy Department, Indiana University, Bloomington, IN 47405 (United States)

    2015-05-10

    NGC 5053 provides a rich environment to test our understanding of the complex evolution of globular clusters (GCs). Recent studies have found that this cluster has interesting morphological features beyond the typical spherical distribution of GCs, suggesting that external tidal effects have played an important role in its evolution and current properties. Additionally, simulations have shown that NGC 5053 could be a likely candidate to belong to the Sagittarius dwarf galaxy (Sgr dSph) stream. Using the Wisconsin–Indiana–Yale–NOAO–Hydra multi-object spectrograph, we have collected high quality (signal-to-noise ratio ∼ 75–90), medium-resolution spectra for red giant branch stars in NGC 5053. Using these spectra we have measured the Fe, Ca, Ti, Ni, Ba, Na, and O abundances in the cluster. We measure an average cluster [Fe/H] abundance of −2.45 with a standard deviation of 0.04 dex, making NGC 5053 one of the most metal-poor GCs in the Milky Way (MW). The [Ca/Fe], [Ti/Fe], and [Ba/Fe] we measure are consistent with the abundances of MW halo stars at a similar metallicity, with alpha-enhanced ratios and slightly depleted [Ba/Fe]. The Na and O abundances show the Na–O anti-correlation found in most GCs. From our abundance analysis it appears that NGC 5053 is at least chemically similar to other GCs found in the MW. This does not, however, rule out NGC 5053 being associated with the Sgr dSph stream.

  9. Chemical Abundances in NGC 5053: A Very Metal-poor and Dynamically Complex Globular Cluster

    Science.gov (United States)

    Boberg, Owen M.; Friel, Eileen D.; Vesperini, Enrico

    2015-05-01

    NGC 5053 provides a rich environment to test our understanding of the complex evolution of globular clusters (GCs). Recent studies have found that this cluster has interesting morphological features beyond the typical spherical distribution of GCs, suggesting that external tidal effects have played an important role in its evolution and current properties. Additionally, simulations have shown that NGC 5053 could be a likely candidate to belong to the Sagittarius dwarf galaxy (Sgr dSph) stream. Using the Wisconsin-Indiana-Yale-NOAO-Hydra multi-object spectrograph, we have collected high quality (signal-to-noise ratio ˜ 75-90), medium-resolution spectra for red giant branch stars in NGC 5053. Using these spectra we have measured the Fe, Ca, Ti, Ni, Ba, Na, and O abundances in the cluster. We measure an average cluster [Fe/H] abundance of -2.45 with a standard deviation of 0.04 dex, making NGC 5053 one of the most metal-poor GCs in the Milky Way (MW). The [Ca/Fe], [Ti/Fe], and [Ba/Fe] we measure are consistent with the abundances of MW halo stars at a similar metallicity, with alpha-enhanced ratios and slightly depleted [Ba/Fe]. The Na and O abundances show the Na-O anti-correlation found in most GCs. From our abundance analysis it appears that NGC 5053 is at least chemically similar to other GCs found in the MW. This does not, however, rule out NGC 5053 being associated with the Sgr dSph stream.

  10. Distinguishing patterns of learning and inclusion through the dynamics of network formation in developing agricultural clusters

    OpenAIRE

    Ramirez, Matias; Bernal, Paloma; Clarke, Ian; Hernandez, Ivan; Rotolo, Danielle

    2014-01-01

    A significant development in the economies of a number of less developed Latin American countries over the past decade has been the mushrooming of export and commodity-based agricultural clusters in hitherto economically underdeveloped regions, many of which are dominated by small-scale agricultural production. A consequent challenge for policy makers is to develop strategies that offer small-scale local producers opportunities to upgrade into more specialised higher value-added activities (S...

  11. 3-D waveform tomography sensitivity kernels for anisotropic media

    KAUST Repository

    Djebbi, Ramzi

    2014-01-01

    The complications in anisotropic multi-parameter inversion lie in the trade-off between the different anisotropy parameters. We compute the tomographic waveform sensitivity kernels for a VTI acoustic medium perturbation as a tool to investigate this ambiguity between the different parameters. We use dynamic ray tracing to efficiently handle the expensive computational cost for 3-D anisotropic models. Ray tracing provides also the ray direction information necessary for conditioning the sensitivity kernels to handle anisotropy. The NMO velocity and η parameter kernels showed a maximum sensitivity for diving waves which results in a relevant choice of those parameters in wave equation tomography. The δ parameter kernel showed zero sensitivity; therefore it can serve as a secondary parameter to fit the amplitude in the acoustic anisotropic inversion. Considering the limited penetration depth of diving waves, migration velocity analysis based kernels are introduced to fix the depth ambiguity with reflections and compute sensitivity maps in the deeper parts of the model.

  12. Self-force on dislocation segments in anisotropic crystals

    International Nuclear Information System (INIS)

    Fitzgerald, S P; Aubry, S

    2010-01-01

    A dislocation segment in a crystal experiences a 'self-force', by virtue of the orientation dependence of its elastic energy. If the crystal is elastically isotropic, this force is manifested as a couple acting to rotate the segment toward the lower energy of the pure screw orientation (i.e. acting to align the dislocation line with its Burgers vector). If the crystal is anisotropic, there are additional contributions to the couple, arising from the more complex energy landscape of the lattice itself. These effects can strongly influence the dynamic evolution of dislocation networks, and via their governing role in dislocation multiplication phenomena, control plastic flow in metals. In this paper we develop a model for dislocation self-forces in a general anisotropic crystal, and briefly consider the technologically important example of α-iron, which becomes increasingly anisotropic as the temperature approaches that of the α-γ phase transition at 912 0 C.

  13. Nonlocalized clustering and evolution of cluster structure in nuclei

    Science.gov (United States)

    Horiuchi, H.

    2017-06-01

    It is shown that the THSR (Tohsaki-Horiuchi-Schuck-Roepke) wave function describe well not only cluster-gas like structures but also ordinary cluster structures with spatial localization of clusters. Based on this fact, the container model has been proposed as a new model of cluster dynamics. For better description of cluster dynamics, extended version of container model has been introduced. The container model of cluster dynamics teaches us how is the evolution of cluster structure which starts from the ground state having shell-model structure to many kinds of cluster states up to the cluster-gas states.

  14. Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique.

    Science.gov (United States)

    Ge, Ni-Na; Wei, Yong-Kai; Song, Zhen-Fei; Chen, Xiang-Rong; Ji, Guang-Fu; Zhao, Feng; Wei, Dong-Qing

    2014-07-24

    Molecular dynamics simulations in conjunction with multiscale shock technique (MSST) are performed to study the initial chemical processes and the anisotropy of shock sensitivity of the condensed-phase HMX under shock loadings applied along the a, b, and c lattice vectors. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. Our results show that there is a difference between lattice vector a (or c) and lattice vector b in the response to a shock wave velocity of 11 km/s, which is investigated through reaction temperature and relative sliding rate between adjacent slipping planes. The response along lattice vectors a and c are similar to each other, whose reaction temperature is up to 7000 K, but quite different along lattice vector b, whose reaction temperature is only up to 4000 K. When compared with shock wave propagation along the lattice vectors a (18 Å/ps) and c (21 Å/ps), the relative sliding rate between adjacent slipping planes along lattice vector b is only 0.2 Å/ps. Thus, the small relative sliding rate between adjacent slipping planes results in the temperature and energy under shock loading increasing at a slower rate, which is the main reason leading to less sensitivity under shock wave compression along lattice vector b. In addition, the C-H bond dissociation is the primary pathway for HMX decomposition in early stages under high shock loading from various directions. Compared with the observation for shock velocities V(imp) = 10 and 11 km/s, the homolytic cleavage of N-NO2 bond was obviously suppressed with increasing pressure.

  15. Self-assembly in the systems of magnetic anisotropic nanoparticles

    Science.gov (United States)

    Gudkova, A. V.; Pyanzina, E. S.

    2017-11-01

    This paper presents the complex investigation of the system of magnetic anisotropic nanoparticles using computer simulations in a wide range of the system's parameters. The cluster analysis was made, various average characteristics of the formed clusters were calculated and the initial magnetic susceptibility and the radial distribution function were computed. It was shown that via changing the nanoparticles characteristics (their shape and the values of the magnetic moments) it's possible to change macroscopic response of the system, that implements the idea of tuning and design new materials with controllable properties.

  16. Fragmentation of HCl-water clusters upon ionization: Non-adiabatic ab initio dynamics study

    Czech Academy of Sciences Publication Activity Database

    Hollas, D.; Svoboda, O.; Slavíček, Petr

    2015-01-01

    Roč. 622, FEB 2015 (2015), s. 80-85 ISSN 0009-2614 Institutional support: RVO:61388955 Keywords : molecular-dynamics * energy * simulations * acid Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.860, year: 2015

  17. Structural dynamics of N-ethylpropionamide clusters examined by nonlinear infrared spectroscopy

    International Nuclear Information System (INIS)

    Wang, Jianping; Yang, Fan; Zhao, Juan; Shi, Jipei

    2015-01-01

    In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH 3 CN, CHCl 3 , and CCl 4 ), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics of NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed

  18. Biosensor based on measurements of the clustering dynamics of magnetic particles

    DEFF Research Database (Denmark)

    2014-01-01

    Disclosed herein is a biosensor for optical detection of Brownian relaxation dynamics of magnetic particles measured by light transmission. The magnetic particles can be functionalized with biological ligands for the detection of target analytes in a sample.......Disclosed herein is a biosensor for optical detection of Brownian relaxation dynamics of magnetic particles measured by light transmission. The magnetic particles can be functionalized with biological ligands for the detection of target analytes in a sample....

  19. Dynamical effects in the formation and evolution of galaxies and clusters

    International Nuclear Information System (INIS)

    White, S.D.M.

    1977-01-01

    The development of computer programs capable of simulating the self-consistent evolution of systems of a thousand or more self-gravitating particles has opened to experiment many aspects of problems concerning the dissipationless formation of galaxies and galaxy clusters which could previously only be treated at the cost of extreme oversimplification. As a result of experiments now being carried out, the range of validity, the inadequacies and the mistaken emphasis of many previous analyses are becoming evident. The applications of numerical experiments are discussed and illustrated. (U.K.)

  20. An adaptive clustering approach to dynamic load balancing and energy efficiency in wireless sensor networks

    International Nuclear Information System (INIS)

    Gherbi, Chirihane; Aliouat, Zibouda; Benmohammed, Mohamed

    2016-01-01

    Clustering is a well known approach to cope with large nodes density and efficiently conserving energy in Wireless Sensor Networks (WSN). Load balancing is an effective approach for optimizing resources like channel bandwidth, the main objective of this paper is to combine these two valuable approaches in order to significantly improve the main WSN service such as information routing. So, our proposal is a routing protocol in which load traffic is shared among cluster members in order to reduce the dropping probability due to queue overflow at some nodes. To this end, a novel hierarchical approach, called Hierarchical Energy-Balancing Multipath routing protocol for Wireless Sensor Networks (HEBM) is proposed. The HEBM approach aims to fulfill the following purposes: decreasing the overall network energy consumption, balancing the energy dissipation among the sensor nodes and as direct consequence: extending the lifetime of the network. In fact, the cluster-heads are optimally determined and suitably distributed over the area of interest allowing the member nodes reaching them with adequate energy dissipation and appropriate load balancing utilization. In addition, nodes radio are turned off for fixed time duration according to sleeping control rules optimizing so their energy consumption. The performance evaluation of the proposed protocol is carried out through the well-known NS2 simulator and the exhibited results are convincing. Like this, the residual energy of sensor nodes was measured every 20 s throughout the duration of simulation, in order to calculate the total number of alive nodes. Based on the simulation results, we concluded that our proposed HEBM protocol increases the profit of energy, and prolongs the network lifetime duration from 32% to 40% compared to DEEAC reference protocol and from 25% to 28% compared to FEMCHRP protocol. The authors also note that the proposed protocol is 41.7% better than DEEAC with respect to FND (Fist node die), and 25

  1. Continuum mechanics of anisotropic materials

    CERN Document Server

    Cowin, Stephen C

    2013-01-01

    Continuum Mechanics of Anisotropic Materials(CMAM) presents an entirely new and unique development of material anisotropy in the context of an appropriate selection and organization of continuum mechanics topics. These features will distinguish this continuum mechanics book from other books on this subject. Textbooks on continuum mechanics are widely employed in engineering education, however, none of them deal specifically with anisotropy in materials. For the audience of Biomedical, Chemical and Civil Engineering students, these materials will be dealt with more frequently and greater accuracy in their analysis will be desired. Continuum Mechanics of Anisotropic Materials' author has been a leader in the field of developing new approaches for the understanding of anisotropic materials.

  2. Dynamical equivalence, the origin of the Galactic field stellar and binary population, and the initial radius-mass relation of embedded clusters

    Science.gov (United States)

    Belloni, Diogo; Kroupa, Pavel; Rocha-Pinto, Helio J.; Giersz, Mirek

    2018-03-01

    In order to allow a better understanding of the origin of Galactic field populations, dynamical equivalence of stellar-dynamical systems has been postulated by Kroupa and Belloni et al. to allow mapping of solutions of the initial conditions of embedded clusters such that they yield, after a period of dynamical processing, the Galactic field population. Dynamically equivalent systems are defined to initially and finally have the same distribution functions of periods, mass ratios and eccentricities of binary stars. Here, we search for dynamically equivalent clusters using the MOCCA code. The simulations confirm that dynamically equivalent solutions indeed exist. The result is that the solution space is next to identical to the radius-mass relation of Marks & Kroupa, ( r_h/pc )= 0.1^{+0.07}_{-0.04} ( M_ecl/M_{⊙} )^{0.13± 0.04}. This relation is in good agreement with the oIMF. This is achieved by applying a similar procedurebserved density of molecular cloud clumps. According to the solutions, the time-scale to reach dynamical equivalence is about 0.5 Myr which is, interestingly, consistent with the lifetime of ultra-compact H II regions and the time-scale needed for gas expulsion to be active in observed very young clusters as based on their dynamical modelling.

  3. Compatibility of localized wave packets and unrestricted single particle dynamics for cluster formation in nuclear collisions

    International Nuclear Information System (INIS)

    Ono, A.

    2002-03-01

    Anti-symmetrized molecular dynamics with quantum branching is generalized so as to allow finite time duration of the unrestricted coherent mean field propagation which is followed by the decoherence into wave packets. In this new model, the wave packet shrinking by the mean field propagation is respected as well as the diffusion, so that it predicts a one-body dynamics similar to that in mean field models. The shrinking effect is expected to change the diffusion property of nucleons in nuclear matter and the global one-body dynamics. The central 129 Xe + Sn collisions at 50 MeV/nucleon are calculated by the models with and without shrinking, and it is shown that the inclusion of the wave packet shrinking has a large effect on the multifragmentation in a big expanding system with a moderate expansion velocity. (author)

  4. N-Body Galaxy Dynamics Simulations on a Homogeneous Beowulf Cluster

    Science.gov (United States)

    Gipson, B.; McBride, W. R.; Kornreich, D. A.

    2004-12-01

    The galactic distribution of dark matter in disk galaxies remains an important problem in astrophysics. Modern methods in determining this distribution rely heavily on N--Body simulations. To this end we have developed a variable time step Piet Hut N--Body simulator, run using MPICH on a homogeneous 12 processor (x86) Beowulf cluster. The Hut Algorithm allows for the efficient, accurate calculation of forces between millions of points in a reasonable time. Additionally, subdividing the space into octants allows for the efficient creation O(N log (N)) of mutual nearest-neighbor data for all points. Such data are necessary for the inclusion of smoothed particle hydrodynamics (gas clouds, etc) as well as for merging the frequent, tightly bound, rapidly rotating, binary systems that decrease performance in this type of simulation. Initial tests have shown strong agreement with exhaustive O(N2) calculation results. Simulating 10,000 points yielded a total relative error of 0.32% with the exhaustive case, executing in 3.3 seconds on the cluster. General system-level tests have also been performed, including determining collapse times for cold and isothermal spherical distributions; all resulting in good agreement with analytical results. Tests on the Kuz'min galactic distribution have also resulted in expected rotational rates. We discuss the oscillatory behavior of such distributions within several constant potentials with the intention of further eliciting the distribution of dark matter within our own galaxy.

  5. Independent center, independent electron approximation for dynamics of molecules and clusters

    International Nuclear Information System (INIS)

    McGuire, J.H.; Straton, J.C.; Wang, J.; Wang, Y.D.; Weaver, O.L.; Corchs, S.E.; Rivarola, R.D.

    1996-01-01

    A formalism is developed for evaluating probabilities and cross sections for multiple-electron transitions in scattering of molecules and clusters by charged collision partners. First, the molecule is divided into subclusters each made up of identical centers (atoms). Within each subcluster coherent scattering from identical centers may lead to observable phase terms and a geometrical structure factor. Then, using a mean field approximation to describe the interactions between centers we obtain A I ∼ summation k product ke iδ k I A Ik . Second, the independent electron approximation for each center may be obtained by neglecting the correlation between electrons in each center. The probability amplitude for each center is then a product of single electron transition probability amplitudes, a Ik i , i.e. A Ik ≅ product iaik i . Finally, the independent subcluster approximation is introduced by neglecting the interactions between different subclusters in the molecule or cluster. The total probability amplitude then reduces to a simple product of amplitudes for each subcluster, A≅ product IAI . Limitations of this simple approximation are discussed. copyright 1996 American Institute of Physics

  6. Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule

    International Nuclear Information System (INIS)

    Liu, Hui; Song, Yongduan; Xue, Fangzheng; Li, Xiumin

    2015-01-01

    In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing

  7. Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule.

    Science.gov (United States)

    Liu, Hui; Song, Yongduan; Xue, Fangzheng; Li, Xiumin

    2015-11-01

    In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing.

  8. Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui; Song, Yongduan; Xue, Fangzheng; Li, Xiumin, E-mail: xmli@cqu.edu.cn [Key Laboratory of Dependable Service Computing in Cyber Physical Society of Ministry of Education, Chongqing University, Chongqing 400044 (China); College of Automation, Chongqing University, Chongqing 400044 (China)

    2015-11-15

    In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing.

  9. The influence of 150-cavity binders on the dynamics of influenza A neuraminidases as revealed by molecular dynamics simulations and combined clustering.

    Directory of Open Access Journals (Sweden)

    Kyle T Greenway

    Full Text Available Neuraminidase inhibitors are the main pharmaceutical agents employed for treatments of influenza infections. The neuraminidase structures typically exhibit a 150-cavity, an exposed pocket that is adjacent to the catalytic site. This site offers promising additional contact points for improving potency of existing pharmaceuticals, as well as generating entirely new candidate inhibitors. Several inhibitors based on known compounds and designed to interact with 150-cavity residues have been reported. However, the dynamics of any of these inhibitors remains unstudied and their viability remains unknown. This work reports the outcome of long-term, all-atom molecular dynamics simulations of four such inhibitors, along with three standard inhibitors for comparison. Each is studied in complex with four representative neuraminidase structures, which are also simulated in the absence of ligands for comparison, resulting in a total simulation time of 9.6 µs. Our results demonstrate that standard inhibitors characteristically reduce the mobility of these dynamic proteins, while the 150-binders do not, instead giving rise to many unique conformations. We further describe an improved RMSD-based clustering technique that isolates these conformations--the structures of which are provided to facilitate future molecular docking studies--and reveals their interdependence. We find that this approach confers many advantages over previously described techniques, and the implications for rational drug design are discussed.

  10. On cluster ions, ion transmission, and linear dynamic range limitations in electrospray (ionspray) mass spectrometry

    NARCIS (Netherlands)

    Zook, D.R; Bruins, A.P.

    The ion transmission in Electrospray (Ionspray) Mass Spectrometry (ESMS) was studied in order to examine the instrumental factors potentially contributing to observed ESMS linear dynamic range (LDR) limitations. A variety of means used for the investigation of ion transmission demonstrated that a

  11. Biosensor based on the measurements of clustering dynamics of magnetic particles using a double pass setup

    DEFF Research Database (Denmark)

    2014-01-01

    Disclosed herein is a biosensor for optical detection of Brownian relaxation dynamics of magnetic particles measured by light transmission. The magnetic particles can be functionalized with biological ligands for the detection of target analytes in a sample. The setup may be implemented in a disc...

  12. Flexibility dynamics in clusters of residential demand response and distributed generation

    NARCIS (Netherlands)

    MacDougall, P.A.; Kok, J.K.; Warmer, C.; Roossien, B.

    2013-01-01

    Supply and demand response is a untapped resource in the current electrical system. However little work has been done to investigate the dynamics of utilizing such flexibility as well as the potential effects it could have on the infrastructure. This paper provides a starting point to seeing the

  13. Molecular dynamics simulations with electronic stopping can reproduce experimental sputtering yields of metals impacted by large cluster ions

    Science.gov (United States)

    Tian, Jiting; Zhou, Wei; Feng, Qijie; Zheng, Jian

    2018-03-01

    An unsolved problem in research of sputtering from metals induced by energetic large cluster ions is that molecular dynamics (MD) simulations often produce sputtering yields much higher than experimental results. Different from the previous simulations considering only elastic atomic interactions (nuclear stopping), here we incorporate inelastic electrons-atoms interactions (electronic stopping, ES) into MD simulations using a friction model. In this way we have simulated continuous 45° impacts of 10-20 keV C60 on a Ag(111) surface, and found that the calculated sputtering yields can be very close to the experimental results when the model parameter is appropriately assigned. Conversely, when we ignore the effect of ES, the yields are much higher, just like the previous studies. We further expand our research to the sputtering of Au induced by continuous keV C60 or Ar100 bombardments, and obtain quite similar results. Our study indicates that the gap between the experimental and the simulated sputtering yields is probably induced by the ignorance of ES in the simulations, and that a careful treatment of this issue is important for simulations of cluster-ion-induced sputtering, especially for those aiming to compare with experiments.

  14. Electron and photon reconstruction and performance in ATLAS using a dynamical, topological cell clustering-based approach

    CERN Document Server

    The ATLAS collaboration

    2017-01-01

    The electron and photon reconstruction in ATLAS has moved towards the use of a dynamical, topo- logical cell-based approach for cluster building, owing to advancements in the calibration procedure which allow for such a method to be applied. The move to this new technique allows for improved measurements of electron and photon energies, particularly in situations where an electron radiates a bremsstrahlung photon, or a photon converts to an electron-poistron pair. This note details the changes to the ATLAS electron and photon reconstruction software, and assesses its performance under current LHC luminosity conditions using simulated data. Changes to the converted photon reconstruction are also detailed, which improve the reconstruction efficiency of double-track converted photons, as well as reducing the reconstruction of spurious one-track converted photons. The performance of the new reconstruction algorithm is also presented in a number of important topologies relevant to precision Standard Model physics,...

  15. Self-Organization with Additional Learning Based on Category Mapping and Its Application to Dynamic News Clustering

    Science.gov (United States)

    Toyota, Tetsuya; Nobuhara, Hajime

    The Internet news are texts which involve from various fields, therefore, when a text data that will show a rapid increase of the number of dimensions of feature vectors of Self-Organizing Map (SOM) is added, these results cannot be reflected to learning. Furthermore, it is difficult for users to recognize the learning results because SOM can not produce any label information by each cluster. In order to solve these problems, we propose SOM with additional learning and dimensional by category mapping which is based on the category structure of Wikipedia. In this method, input vector is generated from each text and the corresponding Wikipedia categories extracted from Wikipedia articles. Input vectors are formed in the common category taking the hierarchical structure of Wikipedia category into consideration. By using the proposed method, the problem of reconfiguration of vector elements caused by dynamic changes in the text can be solved. Moreover, information loss in newly obtained index term can be prevented.

  16. Noncontact coating of spherical-shell ICF targets using gas-dynamic levitation and charged liquid cluster beam

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.; Feng, Q.; Ryu, C.K. [Univ. of Illinois, Urbana, IL (United States)

    1995-12-31

    A novel gas-dynamic levitation (GDL) technique has been developed to facilitate noncontact coating of spherical ICF targets. Preliminary test has been performed on a novel coating method known as the Charged Liquid Cluster Beam (CLB) technique, which is compatible with the levitation scheme, to assess its feasibility as an ICF target coating technique. Using the GDL technique three metal balls 450 {micro}m, 650 {micro}m, and 950 {micro}m in diameter were levitated very stably for several hours, with the balls rotating continuously. The CLCB coating technique utilizes the flow-limited field-injection electrostatic spraying to produce a spray of charged nanodrops of the coating material which, in turn, is directed toward the levitated ICF target. The apparatus and preliminary data demonstrating the capability of the levitation scheme and the coating technique are presented.

  17. Noncontact coating of spherical-shell ICF targets using gas-dynamic levitation and charged liquid cluster beam

    International Nuclear Information System (INIS)

    Kim, K.; Feng, Q.; Ryu, C.K.

    1995-01-01

    A novel gas-dynamic levitation (GDL) technique has been developed to facilitate noncontact coating of spherical ICF targets. Preliminary test has been performed on a novel coating method known as the Charged Liquid Cluster Beam (CLB) technique, which is compatible with the levitation scheme, to assess its feasibility as an ICF target coating technique. Using the GDL technique three metal balls 450 microm, 650 microm, and 950 microm in diameter were levitated very stably for several hours, with the balls rotating continuously. The CLCB coating technique utilizes the flow-limited field-injection electrostatic spraying to produce a spray of charged nanodrops of the coating material which, in turn, is directed toward the levitated ICF target. The apparatus and preliminary data demonstrating the capability of the levitation scheme and the coating technique are presented

  18. Intuitionistic Trapezoidal Fuzzy Group Decision-Making Based on Prospect Choquet Integral Operator and Grey Projection Pursuit Dynamic Cluster

    Directory of Open Access Journals (Sweden)

    Jiahang Yuan

    2017-01-01

    Full Text Available In consideration of the interaction among attributes and the influence of decision makers’ risk attitude, this paper proposes an intuitionistic trapezoidal fuzzy aggregation operator based on Choquet integral and prospect theory. With respect to a multiattribute group decision-making problem, the prospect value functions of intuitionistic trapezoidal fuzzy numbers are aggregated by the proposed operator; then a grey relation-projection pursuit dynamic cluster method is developed to obtain the ranking of alternatives; the firefly algorithm is used to optimize the objective function of projection for obtaining the best projection direction of grey correlation projection values, and the grey correlation projection values are evaluated, which are applied to classify, rank, and prefer the alternatives. Finally, an illustrative example is taken in the present study to make the proposed method comprehensible.

  19. Cluster dynamics: A classical trajectory study of A + A/sub n/arrow-right-leftA*/sub n/+1

    International Nuclear Information System (INIS)

    Brady, J.W.; Doll, J.D.; Thompson, D.L.

    1979-01-01

    The dynamics of the collision of an atom A with a small cluster of atoms, A/sub n/, leading to the formation of a quasibound A*/sub n/+1 complex, which subsequently decays, has been studied using classical trajectories. Pairwise Lennard-Jones potentials (with parameters appropriate for argon) were used to describe the identical point masses (Ar). The results illustrate the feasibility of direct calculations of microscopic rates for nucleation processes. The dissociation of collisionally formed A*/sub n/+1 (n=3,4, and 5) occurs by first-order exponential decay. Furthermore the energy dependence of the dissociation rate constants appears to be well described by the RRK functional form

  20. The clustering of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey DR14 quasar sample: measurement of the growth rate of structure from the anisotropic correlation function between redshift 0.8 and 2.2

    Science.gov (United States)

    Zarrouk, Pauline; Burtin, Etienne; Gil-Marín, Héctor; Ross, Ashley J.; Tojeiro, Rita; Pâris, Isabelle; Dawson, Kyle S.; Myers, Adam D.; Percival, Will J.; Chuang, Chia-Hsun; Zhao, Gong-Bo; Bautista, Julian; Comparat, Johan; González-Pérez, Violeta; Habib, Salman; Heitmann, Katrin; Hou, Jiamin; Laurent, Pierre; Le Goff, Jean-Marc; Prada, Francisco; Rodríguez-Torres, Sergio A.; Rossi, Graziano; Ruggeri, Rossana; Sánchez, Ariel G.; Schneider, Donald P.; Tinker, Jeremy L.; Wang, Yuting; Yèche, Christophe; Baumgarten, Falk; Brownstein, Joel R.; de la Torre, Sylvain; du Mas des Bourboux, Hélion; Kneib, Jean-Paul; Mariappan, Vivek; Palanque-Delabrouille, Nathalie; Peacock, John; Petitjean, Patrick; Seo, Hee-Jong; Zhao, Cheng

    2018-02-01

    We present the clustering measurements of quasars in configuration space based on the Data Release 14 (DR14) of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey. This dataset includes 148,659 quasars spread over the redshift range 0.8 ≤ z ≤ 2.2 and spanning 2112.9 square degrees. We use the Convolution Lagrangian Perturbation Theory (CLPT) approach with a Gaussian Streaming (GS) model for the redshift space distortions of the correlation function and demonstrate its applicability for dark matter halos hosting eBOSS quasar tracers. At the effective redshift zeff = 1.52, we measure the linear growth rate of structure fσ8(zeff) = 0.426 ± 0.077, the expansion rate H(z_eff)= 159^{+12}_{-13}(rs^fid/r_s)km.s^{-1}.Mpc^{-1}, and the angular diameter distance DA(z_eff)=1850^{+90}_{-115} (r_s/rs^fid)Mpc, where rs is the sound horizon at the end of the baryon drag epoch and rs^fid is its value in the fiducial cosmology. The quoted uncertainties include both systematic and statistical contributions. The results on the evolution of distances are consistent with the predictions of flat Λ-Cold Dark Matter (Λ-CDM) cosmology with Planck parameters, and the measurement of fσ8 extends the validity of General Relativity (GR) to higher redshifts(z > 1) This paper is released with companion papers using the same sample. The results on the cosmological parameters of the studies are found to be in very good agreement, providing clear evidence of the complementarity and of the robustness of the first full-shape clustering measurements with the eBOSS DR14 quasar sample.

  1. Why Artists Cluster in Big Cities? Infrastructural Factors of Location, Professional Strategies and Community Dynamics

    Directory of Open Access Journals (Sweden)

    Joaquim Rius-Ulldemolins

    2014-01-01

    Full Text Available The cause of the big cities concentration of artists has been gaining centrality in academic research as it has been underlined its importance for the creative industries. The research of this phenomenon is usually based on economic clustering theories, which only take into account infrastructural factors of the location. Although this approach has been increasingly criticized and social interactions have been considered more important, the contributions of sociology of artistic professions or urban sociology have been mostly ignored. Taking into account the results of these sociological perspectives a the research proposes a more multidimensional and a more critical point of view towards the agglomeration artistic phenomenon, considering it as a functional phenomenon of postfordist economy.

  2. Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

    Science.gov (United States)

    Enachescu, Cristian; Nishino, Masamichi; Miyashita, Seiji; Boukheddaden, Kamel; Varret, François; Rikvold, Per Arne

    2015-03-01

    In this paper we study the growth properties of domains of low-spin molecules in a high-spin background in open-boundary elliptically shaped spin-crossover systems within the framework of a mechanoelastic model. The molecules are situated on a triangular lattice and are linked by springs, through which they interact. Elliptical shapes are chosen in order to allow an in-depth analysis of cluster shapes as a function of the local curvature at their starting point and the length of the interface between the two phases. In contrast to the case of rectangular and hexagonal shapes, where the clusters always start from corners, we find that for ellipses clusters nucleate from vertices, covertices, or any other site. We apply and compare two kinds of dynamics, Eden-like and Kawasaki, in order to determine the stable shape of the clusters and the most probable starting points. We show that the wetting angle for small clusters is somewhat higher than π /2 and approaches this value only for large clusters. The stability of clusters is analyzed by comparing the Gibbs free energy to the elastic energy in the system and is discussed as a function of the cluster size, curvature of the starting place, and temperature.

  3. Multivariate cluster analysis of dynamic iodine-123 iodobenzamide SPET dopamine D{sub 2}receptor images in schizophrenia

    Energy Technology Data Exchange (ETDEWEB)

    Acton, P.D. [Inst. of Nuclear Medicine, Univ. Coll. London Medical School, London (United Kingdom); Pilowsky, L.S. [Institute of Psychiatry, London (United Kingdom); Costa, D.C. [Inst. of Nuclear Medicine, Univ. Coll. London Medical School, London (United Kingdom); Ell, P.J. [Inst. of Nuclear Medicine, Univ. Coll. London Medical School, London (United Kingdom)

    1997-02-01

    This paper describes the application of a multivariate statistical technique to investigate striatal dopamine D{sub 2}receptor concentrations measured by iodine-123 iodobenzamide ({sup 123}I-IBZM) single-photon emission tomography (SPET). This technique enables the automatic segmentation of dynamic nuclear medicine images based on the underlying time-activity curves present in the data. Once the time-activity curves have been extracted, each pixel can be mapped back on to the underlying distribution, considerably reducing image noise. Cluster analysis has been verified using computer simulations and phantom studies. The technique has been applied to SPET images of dopamine D {sub 2}receptors in a total of 20 healthy and 20 schizophrenic volunteers (22 male, 18 female), using the ligand {sup 123}I-IBZM. Following automatic image segmentation, the concentration of striatal dopamine D {sub 2}receptors shows a significant left-sided asymmetry in male schizophrenics compared with male controls. The mean left-minus-right laterality index for controls is -1.52 (95% CI -3.72-0.66) and for patients 4.04 (95% CI 1.07-7.01). Analysis of variance shows a case-by-sex-by-side interaction, with F=10.01, P=0.005. We can now demonstrate that the previously observed male sex-specific D {sub 2}receptor asymmetry in schizophrenia, which had failed to attain statistical significance, is valid. Cluster analysis of dynamic nuclear medicine studies provides a powerful tool for automatic segmentation and noise reduction of the images, removing much of the subjectivity inherent in region-of-interest analysis. The observed striatal D {sub 2}asymmetry could reflect long hypothesized disruptions in dopamine-rich cortico-striatal-limbic circuits in schizophrenic males. (orig.). With 4 figs., 2 tabs.

  4. Magnetic relaxation in anisotropic magnets

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1971-01-01

    The line shape and the kinematic and thermodynamic slowing down of the critical and paramagnetic relaxation in axially anisotropic materials are discussed. Kinematic slowing down occurs only in the longitudinal relaxation function. The thermodynamic slowing down occurs in either the transverse...

  5. Failure in imperfect anisotropic materials

    DEFF Research Database (Denmark)

    Legarth, Brian Nyvang

    2005-01-01

    The fundamental cause of crack growth, namely nucleation and growth of voids, is investigated numerically for a two phase imperfect anisotropic material. A unit cell approach is adopted from which the overall stress strain is evaluated. Failure is observed as a sudden stress drop and depending...

  6. Emerging patterns in tumor systems: simulating the dynamics of multicellular clusters with an agent-based spatial agglomeration model.

    Science.gov (United States)

    Mansury, Yuri; Kimura, Mark; Lobo, Jose; Deisboeck, Thomas S

    2002-12-07

    Brain cancer cells invade early on surrounding parenchyma, which makes it impossible to surgically remove all tumor cells and thus significantly worsens the prognosis of the patient. Specific structural elements such as multicellular clusters have been seen in experimental settings to emerge within the invasive cell system and are believed to express the systems' guidance toward nutritive sites in a heterogeneous environment. Based on these observations, we developed a novel agent-based model of spatio-temporal search and agglomeration to investigate the dynamics of cell motility and aggregation with the assumption that tumors behave as complex dynamic self-organizing biosystems. In this model, virtual cells migrate because they are attracted by higher nutrient concentrations and to avoid overpopulated areas with high levels of toxic metabolites. A specific feature of our model is the capability of cells to search both globally and locally. This concept is applied to simulate cell-surface receptor-mediated information processing of tumor cells such that a cell searching for a more growth-permissive place "learns" the information content of a brain tissue region within a two-dimensional lattice in two stages, processing first the global and then the local input. In both stages, differences in microenvironment characteristics define distinctions in energy expenditure for a moving cell and thus influence cell migration, proliferation, agglomeration, and cell death. Numerical results of our model show a phase transition leading to the emergence of two distinct spatio-temporal patterns depending on the dominant search mechanism. If global search is dominant, the result is a small number of large clusters exhibiting rapid spatial expansion but shorter lifetime of the tumor system. By contrast, if local search is dominant, the trade-off is many small clusters with longer lifetime but much slower velocity of expansion. Furthermore, in the case of such dominant local search

  7. Cluster formation restricts dynamic nuclear polarization of xenon in solid mixtures

    DEFF Research Database (Denmark)

    Kuzma, N. N.; Pourfathi, M.; Kara, H.

    2012-01-01

    During dynamic nuclear polarization (DNP) at 1.5 K and 5 T, Xe-129 nuclear magnetic resonance (NMR) spectra of a homogeneous xenon/1-propanol/trityl-radical solid mixture exhibit a single peak, broadened by H-1 neighbors. A second peak appears upon annealing for several hours at 125 K. Its charac....... Subsequent DNP system modifications designed to reduce the overheating resulted in four-fold increase of Xe-129 polarization, from 5.3% to 21%. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4751021]...

  8. Molecular Dynamics Simulation of Solidification of Pd-Ni Clusters with Different Nickel Content

    Directory of Open Access Journals (Sweden)

    Chen Gang

    2014-01-01

    Full Text Available Molecular dynamics simulation has been performed for investigating the glass transition of Pd-Ni alloy nanoparticles in the solidification process. The results showed that the Pd-Ni nanoparticles with composition far from pure metal should form amorphous structure more easily, which is in accordance with the results of the thermodynamic calculation. There are some regular and distorted fivefold symmetry in the amorphous Pd-Ni alloy nanoparticles. The nanoclusters with bigger difference value between formation enthalpies of solutions and glasses will transform to glass more easily than the other Pd-Ni alloy nanoclusters.

  9. Dynamic Cluster Analysis: An Unbiased Method for Identifying A+2 Element Containing Compounds in Liquid Chromatographic High-Resolution TOF Mass Spectrometric Data

    DEFF Research Database (Denmark)

    Andersen, Aaron John Christian; Hansen, Per Juel; Jørgensen, Kevin

    2016-01-01

    Dynamic Cluster Analysis (DCA) is an automated, unbiased technique which can identify Cl, Br, S, and other A+2 element containing metabolites in liquid chromatographic high resolution mass spectrometric data. DCA is based on three features, primarily the previously unutilised A+1 to A+2 isotope...... cluster spacing which is a strong classifier in itself, but improved with the addition of the monoisotopic mass, and the well-known A:A+2 intensity ratio. Utilizing only the A+1 to A+2 isotope cluster spacing and the monoisotopic mass it was possible to filter a chromatogram for metabolites which contain...... Cl, Br, and S. Screening simulated isotope patterns of the Antibase Natural Products Database it was determined that the A+1 to A+2 isotope cluster spacing can be used to correctly classify 97.4% of molecular formulas containing these elements, only misclassifying a few metabolites which were either...

  10. The clustering of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey DR14 quasar sample: structure growth rate measurement from the anisotropic quasar power spectrum in the redshift range 0.8 < z < 2.2

    Science.gov (United States)

    Gil-Marín, Héctor; Guy, Julien; Zarrouk, Pauline; Burtin, Etienne; Chuang, Chia-Hsun; Percival, Will J.; Ross, Ashley J.; Ruggeri, Rossana; Tojerio, Rita; Zhao, Gong-Bo; Wang, Yuting; Bautista, Julian; Hou, Jiamin; Sánchez, Ariel G.; Pâris, Isabelle; Baumgarten, Falk; Brownstein, Joel R.; Dawson, Kyle S.; Eftekharzadeh, Sarah; González-Pérez, Violeta; Habib, Salman; Heitmann, Katrin; Myers, Adam D.; Rossi, Graziano; Schneider, Donald P.; Seo, Hee-Jong; Tinker, Jeremy L.; Zhao, Cheng

    2018-02-01

    We analyse the clustering of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey Data Release 14 quasar sample (DR14Q). We measure the redshift space distortions using the power spectrum monopole, quadrupole and hexadecapole inferred from 148,659 quasars between redshifts 0.8 and 2.2 covering a total sky footprint of 2112.9 deg2. We constrain the logarithmic growth of structure times the amplitude of dark matter density fluctuations, fσ8, and the Alcock-Paczynski dilation scales which allow constraints to be placed on the angular diameter distance DA(z) and the Hubble H(z) parameter. At the effective redshift of zeff = 1.52, fσ8(zeff) = 0.420 ± 0.076, H(z_eff)=[162± 12] (r_s^fid/r_s) {km s}^{-1}Mpc^{-1}, and D_A(z_eff)=[1.85± 0.11]× 10^3 (r_s/r_s^fid) Mpc, where rs is the comoving sound horizon at the baryon drag epoch and the superscript `fid' stands for its fiducial value. The errors take into account the full error budget, including systematics and statistical contributions. These results are in full agreement with the current Λ-Cold Dark Matter (ΛCDM) cosmological model inferred from Planck measurements. Finally, we compare our measurements with other eBOSS companion papers and find excellent agreement, demonstrating the consistency and complementarity of the different methods used for analysing the data.

  11. Turbulent Output-Based Anisotropic Adaptation

    Science.gov (United States)

    Park, Michael A.; Carlson, Jan-Renee

    2010-01-01

    Controlling discretization error is a remaining challenge for computational fluid dynamics simulation. Grid adaptation is applied to reduce estimated discretization error in drag or pressure integral output functions. To enable application to high O(10(exp 7)) Reynolds number turbulent flows, a hybrid approach is utilized that freezes the near-wall boundary layer grids and adapts the grid away from the no slip boundaries. The hybrid approach is not applicable to problems with under resolved initial boundary layer grids, but is a powerful technique for problems with important off-body anisotropic features. Supersonic nozzle plume, turbulent flat plate, and shock-boundary layer interaction examples are presented with comparisons to experimental measurements of pressure and velocity. Adapted grids are produced that resolve off-body features in locations that are not known a priori.

  12. XMM-Newton and Chandra Observations of the Remarkable Dynamics of the Intracluster Medium and Radio Sources in the Clusters Abell 2061 and 3667

    Science.gov (United States)

    Sarazin, C.; Hogge, T.; Chatzikos, M.; Wik, D.; Giacintucci, S.; Clarke, T.; Wong, K.; Gitti, M.; Finoguenov, A.

    2014-07-01

    XMM-Newton and Chandra observations of remarkable dynamic structures in the X-ray gas and connected radio sources in three clusters are presented. Abell 2061 is a highly irregular, merging cluster in the Corona Borealis supercluster. X-ray observations show that there is a plume of very cool gas (˜1 keV) to the NE of the cluster, and a hot (7.6 keV) shock region just NE of the center. There is a very bright radio relic to the far SW of the cluster, and a central radio halo/relic with an extension to the NE. Comparison to SLAM simulations show that this is an offset merger of a ˜5 × 10^{13} M⊙ subcluster with a ˜2.5 × 10^{14} M⊙ cluster seen after first core passage. The plume is the cool-core gas from the subcluster, which has been ``slingshot'' to the NE of the cluster. The plume gas is now falling back into the cluster center, and shocks when it hits the central gas. The model predicts a strong shock to the SW at the location of the bright radio relic, and another shock at the NE radio extension. Time permitting, the observations of Abell 2626 and Abell 3667 will also be presented.

  13. Brome isotope selective control of CF3Br molecule clustering by IR laser radiation in gas-dynamic expansion of CF3Br - Ar mixture

    Science.gov (United States)

    Apatin, V. M.; Lokhman, V. N.; Makarov, G. N.; Ogurok, N.-D. D.; Ryabov, E. A.

    2018-02-01

    We report the results of research on the experimental control of CF3Br molecule clustering under gas-dynamic expansion of the CF3Br - Ar mixture at a nozzle exit by using IR laser radiation. A cw CO2 laser is used for exciting molecules and clusters in the beam and a time-of-flight mass-spectrometer with laser UV ionisation of particles for their detection. The parameters of the gas above the nozzle are determined (compositions and pressure) at which intensive molecule clustering occurs. It is found that in the case of the CF3Br gas without carrier when the pressure P0 above the nozzle does not exceed 4 atm, molecular clusters actually are not generated in the beam. If the gas mixture of CF3Br with argon is used at a pressure ratio 1 : N, where N >= 3, and the total pressure above the nozzle is P0 >= 2 atm, then there occurs molecule clustering. We study the dependences of the efficiency of suppressing the molecule clustering on parameters of the exciting pulse, gas parameters above the nozzle, and on a distance of the molecule irradiation zone from the nozzle exit section. It is shown that in the case of resonant vibrational excitation of gas-dynamically cooled CF3Br molecules at the nozzle exit one can realise isotope-selective suppression of molecule clustering with respect to bromine isotopes. With the CF3Br - Ar mixtures having the pressure ratio 1 : 3 and 1 : 15, the enrichment factors obtained with respect to bromine isotopes are kenr ≈ 1.05 ± 0.005 and kenr ≈ 1.06 ± 0.007, respectively, under jet irradiation by laser emission in the 9R(30) line (1084.635 cm-1). The results obtained let us assume that this method can be used to control clustering of molecules comprising heavy element isotopes, which have a small isotopic shift in IR absorption spectra.

  14. Two Stage Secure Dynamic Load Balancing Architecture for SIP Server Clusters

    Directory of Open Access Journals (Sweden)

    G. Vennila

    2014-08-01

    Full Text Available Session Initiation Protocol (SIP is a signaling protocol emerged with an aim to enhance the IP network capabilities in terms of complex service provision. SIP server scalability with load balancing has a greater concern due to the dramatic increase in SIP service demand. Load balancing of session method (request/response and security measures optimizes the SIP server to regulate of network traffic in Voice over Internet Protocol (VoIP. Establishing a honeywall prior to the load balancer significantly reduces SIP traffic and drops inbound malicious load. In this paper, we propose Active Least Call in SIP Server (ALC_Server algorithm fulfills objectives like congestion avoidance, improved response times, throughput, resource utilization, reducing server faults, scalability and protection of SIP call from DoS attacks. From the test bed, the proposed two-tier architecture demonstrates that the ALC_Server method dynamically controls the overload and provides robust security, uniform load distribution for SIP servers.

  15. THE ATACAMA COSMOLOGY TELESCOPE: DYNAMICAL MASSES AND SCALING RELATIONS FOR A SAMPLE OF MASSIVE SUNYAEV-ZEL'DOVICH EFFECT SELECTED GALAXY CLUSTERS {sup ,}

    Energy Technology Data Exchange (ETDEWEB)

    Sifon, Cristobal; Barrientos, L. Felipe; Gonzalez, Jorge; Infante, Leopoldo; Duenner, Rolando [Departamento de Astronomia y Astrofisica, Facultad de Fisica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile); Menanteau, Felipe; Hughes, John P.; Baker, Andrew J. [Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Road, Piscataway, NJ 08854 (United States); Hasselfield, Matthew [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z4 (Canada); Marriage, Tobias A.; Crichton, Devin; Gralla, Megan B. [Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, MD 21218-2686 (United States); Addison, Graeme E.; Dunkley, Joanna [Sub-department of Astrophysics, University of Oxford, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); Battaglia, Nick; Bond, J. Richard; Hajian, Amir [Canadian Institute for Theoretical Astrophysics, University of Toronto, Toronto, ON M5S 3H8 (Canada); Das, Sudeep [Berkeley Center for Cosmological Physics, LBL and Department of Physics, University of California, Berkeley, CA 94720 (United States); Devlin, Mark J. [Department of Physics and Astronomy, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104 (United States); Hilton, Matt [School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom); and others

    2013-07-20

    We present the first dynamical mass estimates and scaling relations for a sample of Sunyaev-Zel'dovich effect (SZE) selected galaxy clusters. The sample consists of 16 massive clusters detected with the Atacama Cosmology Telescope (ACT) over a 455 deg{sup 2} area of the southern sky. Deep multi-object spectroscopic observations were taken to secure intermediate-resolution (R {approx} 700-800) spectra and redshifts for Almost-Equal-To 60 member galaxies on average per cluster. The dynamical masses M{sub 200c} of the clusters have been calculated using simulation-based scaling relations between velocity dispersion and mass. The sample has a median redshift z = 0.50 and a median mass M{sub 200c}{approx_equal}12 Multiplication-Sign 10{sup 14} h{sub 70}{sup -1} M{sub sun} with a lower limit M{sub 200c}{approx_equal}6 Multiplication-Sign 10{sup 14} h{sub 70}{sup -1} M{sub sun}, consistent with the expectations for the ACT southern sky survey. These masses are compared to the ACT SZE properties of the sample, specifically, the match-filtered central SZE amplitude y{sub 0}-tilde, the central Compton parameter y{sub 0}, and the integrated Compton signal Y{sub 200c}, which we use to derive SZE-mass scaling relations. All SZE estimators correlate with dynamical mass with low intrinsic scatter ({approx}< 20%), in agreement with numerical simulations. We explore the effects of various systematic effects on these scaling relations, including the correlation between observables and the influence of dynamically disturbed clusters. Using the three-dimensional information available, we divide the sample into relaxed and disturbed clusters and find that {approx}50% of the clusters are disturbed. There are hints that disturbed systems might bias the scaling relations, but given the current sample sizes, these differences are not significant; further studies including more clusters are required to assess the impact of these clusters on the scaling relations.

  16. Space-time clustering of childhood malaria at the household level: a dynamic cohort in a Mali village

    Directory of Open Access Journals (Sweden)

    Ouattara Amed

    2006-11-01

    Full Text Available Abstract Background Spatial and temporal heterogeneities in the risk of malaria have led the WHO to recommend fine-scale stratification of the epidemiological situation, making it possible to set up actions and clinical or basic researches targeting high-risk zones. Before initiating such studies it is necessary to define local patterns of malaria transmission and infection (in time and in space in order to facilitate selection of the appropriate study population and the intervention allocation. The aim of this study was to identify, spatially and temporally, high-risk zones of malaria, at the household level (resolution of 1 to 3 m. Methods This study took place in a Malian village with hyperendemic seasonal transmission as part of Mali-Tulane Tropical Medicine Research Center (NIAID/NIH. The study design was a dynamic cohort (22 surveys, from June 1996 to June 2001 on about 1300 children (Plasmodium falciparum, P. malariae and P. ovale infection and P. falciparum gametocyte carriage by means of time series and Kulldorff's scan statistic for space-time cluster detection. Results The time series analysis determined that malaria parasitemia (primarily P. falciparum was persistently present throughout the population with the expected seasonal variability pattern and a downward temporal trend. We identified six high-risk clusters of P. falciparum infection, some of which persisted despite an overall tendency towards a decrease in risk. The first high-risk cluster of P. falciparum infection (rate ratio = 14.161 was detected from September 1996 to October 1996, in the north of the village. Conclusion This study showed that, although infection proportions tended to decrease, high-risk zones persisted in the village particularly near temporal backwaters. Analysis of this heterogeneity at the household scale by GIS methods lead to target preventive actions more accurately on the high-risk zones identified. This mapping of malaria risk makes it possible

  17. Wave propagation in layered anisotropic media with application to composites

    CERN Document Server

    Nayfeh, AH

    1995-01-01

    Recent advances in the study of the dynamic behavior of layered materials in general, and laminated fibrous composites in particular, are presented in this book. The need to understand the microstructural behavior of such classes of materials has brought a new challenge to existing analytical tools. This book explores the fundamental question of how mechanical waves propagate and interact with layered anisotropic media. The chapters are organized in a logical sequence depending upon the complexity of the physical model and its mathematical treatment.

  18. Anisotropic Ripple Deformation in Phosphorene.

    Science.gov (United States)

    Kou, Liangzhi; Ma, Yandong; Smith, Sean C; Chen, Changfeng

    2015-05-07

    Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

  19. Exact anisotropic polytropic cylindrical solutions

    Science.gov (United States)

    Sharif, M.; Sadiq, Sobia

    2018-03-01

    In this paper, we study anisotropic compact stars with static cylindrically symmetric anisotropic matter distribution satisfying polytropic equation of state. We formulate the field equations as well as the corresponding mass function for the particular form of gravitational potential z(x)=(1+bx)^{η } (η =1, 2, 3) and explore exact solutions of the field equations for different values of the polytropic index. The values of arbitrary constants are determined by taking mass and radius of compact star (Her X-1). We find that resulting solutions show viable behavior of physical parameters (density, radial as well as tangential pressure, anisotropy) and satisfy the stability condition. It is concluded that physically acceptable solutions exist only for η =1, 2.

  20. Distinguishing the monomer to cluster phase transition in concentrated lysozyme solutions by studying the temperature dependence of the short-time dynamics

    International Nuclear Information System (INIS)

    Falus, Péter; Porcar, Lionel; Fratini, Emiliano; Baglioni, Piero; Chen, Wei-Ren; Faraone, Antonio; Liu, Yun; Hong, Kunlun

    2012-01-01

    Recent combined experiments by small angle neutron scattering (SANS) and neutron spin echo (NSE) have demonstrated that dynamic clusters can form in concentrated lysozyme solutions when the right combination of a short-ranged attraction and a long-ranged electrostatic repulsion exists. In this paper, we investigate the temperature effect on the dynamic cluster formation and try to pinpoint the transition concentration from a monomeric protein phase to a cluster phase. Interestingly, even at a relatively high concentration (10% mass fraction), despite the significant change in the SANS patterns that are associated with the change of the short-ranged attraction among proteins, the normalized short-time self-diffusion coefficient is not affected between 5 and 40 °C. This is interpreted as a lack of cluster formation in this condition. However, at larger concentrations such as 17.5% and 22.5% mass fraction, we show that the average hydrodynamic radius increases significantly and causes a large decrease of the normalized self-diffusion coefficient as a result of cluster formation when the temperature is changed from 25 to 5 °C. (paper)

  1. Distinguishing the monomer to cluster phase transition in concentrated lysozyme solutions by studying the temperature dependence of the short-time dynamics

    Science.gov (United States)

    Falus, Péter; Porcar, Lionel; Fratini, Emiliano; Chen, Wei-Ren; Faraone, Antonio; Hong, Kunlun; Baglioni, Piero; Liu, Yun

    2012-02-01

    Recent combined experiments by small angle neutron scattering (SANS) and neutron spin echo (NSE) have demonstrated that dynamic clusters can form in concentrated lysozyme solutions when the right combination of a short-ranged attraction and a long-ranged electrostatic repulsion exists. In this paper, we investigate the temperature effect on the dynamic cluster formation and try to pinpoint the transition concentration from a monomeric protein phase to a cluster phase. Interestingly, even at a relatively high concentration (10% mass fraction), despite the significant change in the SANS patterns that are associated with the change of the short-ranged attraction among proteins, the normalized short-time self-diffusion coefficient is not affected between 5 and 40 °C. This is interpreted as a lack of cluster formation in this condition. However, at larger concentrations such as 17.5% and 22.5% mass fraction, we show that the average hydrodynamic radius increases significantly and causes a large decrease of the normalized self-diffusion coefficient as a result of cluster formation when the temperature is changed from 25 to 5 °C.

  2. Empirical potential and elasticity theory modelling of interstitial dislocation loops in UO2 for cluster dynamics application

    International Nuclear Information System (INIS)

    Le-Prioux, Arno

    2017-01-01

    During irradiation in reactor, the microstructure of UO 2 changes and deteriorates, causing modifications of its physical and mechanical properties. The kinetic models used to describe these changes such as cluster dynamics (CRESCENDO calculation code) consider the main microstructural elements that are cavities and interstitial dislocation loops, and provide a rather rough description of the loop thermodynamics. In order to tackle this issue, this work has led to the development of a thermodynamic model of interstitial dislocation loops based on empirical potential calculations. The model considers two types of interstitial dislocation loops on two different size domains: Type 1: Dislocation loops similar to Frank partials in F.C.C. materials which are stable in the smaller size domain. Type 2: Perfect dislocation loops of Burgers vector (a/2)(110) stable in the larger size domain. The analytical formula used to compute the interstitial dislocation loop formation energies is the one for circular loops which has been modified in order to take into account the effects of the dislocation core, which are significant at smaller sizes. The parameters have been determined by empirical potential calculations of the formation energies of prismatic pure edge dislocation loops. The effect of the habit plane reorientation on the formation energies of perfect dislocation loops has been taken into account by a simple interpolation method. All the different types of loops seen during TEM observations are thus accounted for by the model. (author) [fr

  3. Investigating the effect of external trauma through a dynamic system modeling approach for clustering causality in diabetic foot ulcer development.

    Science.gov (United States)

    Salimi, Parisa; Hamedi, Mohsen; Jamshidi, Nima; Vismeh, Milad

    2017-04-01

    Diabetes and its associated complications are realized as one of the most challenging medical conditions threatening more than 29 million people only in the USA. The forecasts suggest a suffering of more than half a billion worldwide by 2030. Amid all diabetic complications, diabetic foot ulcer (DFU) has attracted much scientific investigations to lead to a better management of this disease. In this paper, a system thinking methodology is adopted to investigate the dynamic nature of the ulceration. The causal loop diagram as a tool is utilized to illustrate the well-researched relations and interrelations between causes of the DFU. The result of clustering causality evaluation suggests a vicious loop that relates external trauma to callus. Consequently a hypothesis is presented which localizes development of foot ulceration considering distribution of normal and shear stress. It specifies that normal and tangential forces, as the main representatives of external trauma, play the most important role in foot ulceration. The evaluation of this hypothesis suggests the significance of the information related to both normal and shear stress for managing DFU. The results also discusses how these two react on different locations on foot such as metatarsal head, heel and hallux. The findings of this study can facilitate tackling the complexity of DFU problem and looking for constructive mitigation measures. Moreover they lead to developing a more promising methodology for managing DFU including better prognosis, designing prosthesis and insoles for DFU and patient caring recommendations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. A molecular dynamics study on the structural and electronic properties of two-dimensional icosahedral B12 cluster based structures

    Science.gov (United States)

    Kah, Cherno Baba; Yu, M.; Jayanthi, C. S.; Wu, S. Y.

    2014-03-01

    Our previous study on one-dimensional icosahedral B12 cluster (α-B12) based chain [Bulletin of APS Annual Meeting, p265 (2013)] and ring structures has prompted us to study the two-dimensional (2D) α-B12 based structures. Recently, we have carried out a systematic molecular dynamics study on the structural stabilities and electronic properties of the 2D α-B12 based structures using the SCED-LCAO method [PRB 74, 15540 (2006)]. We have considered several types of symmetry for these 2D structures such as δ3, δ4, δ6 (flat triangular), and α' types. We have found that the optimized structures are energetically in the order of δ6 < α' < δ3 < δ4 which is different from the energy order of α'< δ6 < δ4 < δ3 found in the 2D boron monolayer sheets [ACS Nano 6, 7443 (2012)]. A detailed discussion of this study will be presented. The first author acknowledges the McSweeny Fellowship for supporting his research in this work.

  5. Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

    Science.gov (United States)

    Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

    2018-03-07

    Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Rotational structure of small 4He clusters seeded with HF, HCl, and HBr molecules.

    Science.gov (United States)

    Ramilowski, Jordan A; Mikosz, Aleksandra A; Farrelly, David; Fajín, José Luis Cagide; Fernandez, Berta

    2007-12-13

    Diffusion Monte Carlo calculations are performed for ground and excited rotational states of HX(4He)N, complexes with NHBr in a 4He nanodroplet will be smaller than that observed for HF, despite HF's having the largest (by far) gas-phase rotational constant of the three molecules. This suggests that the specifics of the solvation dynamics of a molecule in a 4He cluster are the result of a delicate interplay between the magnitude of the gas-phase rotational constant of the molecule and the anisotropic contributions to the atom-molecule potential energy.

  7. Sound localization in an anisotropic plate using electret microphones.

    Science.gov (United States)

    Hoseini Sabzevari, S Amir; Moavenian, Majid

    2017-01-01

    Acoustic source localization without knowing the velocity profile in anisotropic plates is still one of the most challenging areas in this field. The current time-of-flight based approaches for localization in anisotropic media, are based on using six high sampling sensors. The number of sensors and the corresponding large amount of data, would make those methods inefficient in practical applications. Although there are many different non-time-of-flight based approaches such as machine learning, or soft computing based methods that can be used for localization with a less number of sensors, they are not as accurate as time-of-flight based techniques. In this article, a new approach which requires only four low sampling rate sensors to localize acoustic source in an anisotropic plate is proposed. In this technique, four electret low sampling rate sensors in two clusters are installed on the plate surface. The presented method uses attenuation analysis in a suitable frequency band to decrease the number of sensors. The approach is experimentally tested and verified on an airplane composite nose by applying artificially generated acoustic emissions (Hsu-Nielsen source). The results reveal that the accuracy of proposed technique depends on distinction of dominant frequency band. A stethoscope as a physical filter is employed to reduce the sensitivity of the technique and delineation of frequency band. The suggested technique improves the accuracy of localization prediction. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Efficient Modeling and Migration in Anisotropic Media Based on Prestack Exploding Reflector Model and Effective Anisotropy

    KAUST Repository

    Wang, Hui

    2014-05-01

    This thesis addresses the efficiency improvement of seismic wave modeling and migration in anisotropic media. This improvement becomes crucial in practice as the process of imaging complex geological structures of the Earth\\'s subsurface requires modeling and migration as building blocks. The challenge comes from two aspects. First, the underlying governing equations for seismic wave propagation in anisotropic media are far more complicated than that in isotropic media which demand higher computational costs to solve. Second, the usage of whole prestack seismic data still remains a burden considering its storage volume and the existing wave equation solvers. In this thesis, I develop two approaches to tackle the challenges. In the first part, I adopt the concept of prestack exploding reflector model to handle the whole prestack data and bridge the data space directly to image space in a single kernel. I formulate the extrapolation operator in a two-way fashion to remove he restriction on directions that waves propagate. I also develop a generic method for phase velocity evaluation within anisotropic media used in this extrapolation kernel. The proposed method provides a tool for generating prestack images without wavefield cross correlations. In the second part of this thesis, I approximate the anisotropic models using effective isotropic models. The wave phenomena in these effective models match that in anisotropic models both kinematically and dynamically. I obtain the effective models through equating eikonal equations and transport equations of anisotropic and isotropic models, thereby in the high frequency asymptotic approximation sense. The wavefields extrapolation costs are thus reduced using isotropic wave equation solvers while the anisotropic effects are maintained through this approach. I benchmark the two proposed methods using synthetic datasets. Tests on anisotropic Marmousi model and anisotropic BP2007 model demonstrate the applicability of my

  9. Anisotropic mass density by two-dimensional acoustic metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Torrent, Daniel; Sanchez-Dehesa, Jose [Wave Phenomena Group, Department of Electronic Engineering, Polytechnic University of Valencia, C/Camino de Vera s/n, E-46022 Valencia (Spain)], E-mail: jsdehesa@upvnet.upv.es

    2008-02-15

    We show that specially designed two-dimensional arrangements of full elastic cylinders embedded in a nonviscous fluid or gas define (in the homogenization limit) a new class of acoustic metamaterials characterized by a dynamical effective mass density that is anisotropic. Here, analytic expressions for the dynamical mass density and the effective sound velocity tensors are derived in the long wavelength limit. Both show an explicit dependence on the lattice filling fraction, the elastic properties of cylinders relative to the background, their positions in the unit cell, and their multiple scattering interactions. Several examples of these metamaterials are reported and discussed.

  10. Towards Cluster-Assembled Materials of True Monodispersity in Size and Chemical Environment: Synthesis, Dynamics and Activity

    Science.gov (United States)

    2016-10-27

    local, microscopy stud -ies, integral studies at ambient pressures have been performed to obtain a systematic insight into cluster ripening control. All...microscopy stud- ies, integral studies at ambient pressures have been performed to obtain a systematic insight into cluster ripening control. All the...namely 1D-PAH chains and size-selective 2D-PAH clusters consisting of 24 carbon atoms (col- laboration with Schaub and Landman group [4]). One crucial

  11. Anisotropic and nonlinear optical waveguides

    CERN Document Server

    Someda, CG

    1992-01-01

    Dielectric optical waveguides have been investigated for more than two decades. In the last ten years they have had the unique position of being simultaneously the backbone of a very practical and fully developed technology, as well as an extremely exciting area of basic, forefront research. Existing waveguides can be divided into two sets: one consisting of waveguides which are already in practical use, and the second of those which are still at the laboratory stage of their evolution. This book is divided into two separate parts: the first dealing with anisotropic waveguides, an

  12. A general framework to test gravity using galaxy clusters I: Modelling the dynamical mass of haloes in f(R) gravity

    Science.gov (United States)

    Mitchell, Myles A.; He, Jian-hua; Arnold, Christian; Li, Baojiu

    2018-03-01

    We propose a new framework for testing gravity using cluster observations, which aims to provide an unbiased constraint on modified gravity models from Sunyaev Zel'dovich (SZ) and X-ray cluster counts and the cluster gas fraction, among other possible observables. Focusing on a popular f(R) model of gravity, we propose a novel procedure to recalibrate mass scaling relations from ΛCDM to f(R) gravity for SZ and X-ray cluster observables. We find that the complicated modified gravity effects can be simply modelled as a dependence on a combination of the background scalar field and redshift, fR(z)/(1 + z), regardless of the f(R) model parameter. By employing a large suite of N-body simulations, we demonstrate that a theoretically derived tanh fitting formula is in excellent agreement with the dynamical mass enhancement of dark matter haloes for a large range of background field parameters and redshifts. Our framework is sufficiently flexible to allow for tests of other models and inclusion of further observables, and the one-parameter description of the dynamical mass enhancement can have important implications on the theoretical modelling of observables and on practical tests of gravity.

  13. Nanoscale Rheology and Anisotropic Diffusion Using Single Gold Nanorod Probes

    Science.gov (United States)

    Molaei, Mehdi; Atefi, Ehsan; Crocker, John C.

    2018-03-01

    The complex rotational and translational Brownian motion of anisotropic particles depends on their shape and the viscoelasticity of their surroundings. Because of their strong optical scattering and chemical versatility, gold nanorods would seem to provide the ultimate probes of rheology at the nanoscale, but the suitably accurate orientational tracking required to compute rheology has not been demonstrated. Here we image single gold nanorods with a laser-illuminated dark-field microscope and use optical polarization to determine their three-dimensional orientation to better than one degree. We convert the rotational diffusion of single nanorods in viscoelastic polyethylene glycol solutions to rheology and obtain excellent agreement with bulk measurements. Extensions of earlier models of anisotropic translational diffusion to three dimensions and viscoelastic fluids give excellent agreement with the observed motion of single nanorods. We find that nanorod tracking provides a uniquely capable approach to microrheology and provides a powerful tool for probing nanoscale dynamics and structure in a range of soft materials.

  14. Driven Anisotropic Diffusion at Boundaries: Noise Rectification and Particle Sorting

    Science.gov (United States)

    Bo, Stefano; Eichhorn, Ralf

    2017-08-01

    We study the diffusive dynamics of a Brownian particle in the proximity of a flat surface under nonequilibrium conditions, which are created by an anisotropic thermal environment with different temperatures being active along distinct spatial directions. By presenting the exact time-dependent solution of the Fokker-Planck equation for this problem, we demonstrate that the interplay between anisotropic diffusion and hard-core interaction with the plain wall rectifies the thermal fluctuations and induces directed particle transport parallel to the surface, without any deterministic forces being applied in that direction. Based on current micromanipulation technologies, we suggest a concrete experimental setup to observe this novel noise-induced transport mechanism. We furthermore show that it is sensitive to particle characteristics, such that this setup can be used for sorting particles of different sizes.

  15. Theoretical Investigation of Anisotropic Damping in Exchange Bias Systems

    Science.gov (United States)

    Farrar, Alison; Beik Mohammadi, Jamileh; Mewes, Tim; Mewes, Claudia

    An accurate description of the magnetization dynamics of exchange bias systems is essential for further development of computer read heads and STT-MRAM. There have been several theoretical predictions of an anisotropic Gilbert damping tensor, influenced by the symmetry of the crystal structure, in place of the scalar Gilbert damping parameter in the Landau-Lifshitz-Gilbert equation of motion. However, experimental confirmation is difficult as the anisotropy of the damping parameter is expected to be small for single crystals. We follow up on our experimental discovery of a strong unidirectional contribution to the relaxation of exchange bias systems by implementing an anisotropic damping tensor in our Matlab-based micromagnetics code M3. We present results for a damping tensor with unidirectional anisotropy with respect to the instantaneous orientation of the magnetization. NSF-CAREER No 1452670 and 0952929, UA Computer-Based Honors Program.

  16. Surface Solvation of Halogen Anions in Water Clusters: An ab initio Molecular Dynamics Study of the Cl-(H.sub.2./sub.O).sub.6./sub. Complex

    Czech Academy of Sciences Publication Activity Database

    Tobias, D. J.; Jungwirth, Pavel; Parrinello, M.

    2001-01-01

    Roč. 114, č. 16 (2001), s. 7036-7044 ISSN 0021-9606 R&D Projects: GA MŠk LN00A032 Grant - others:NATO Science Program(XE) CLG-974459 Institutional research plan: CEZ:AV0Z4040901 Keywords : cluster * ab initio molecular dynamics * anionic solvation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.147, year: 2001

  17. Roche-lobe overflow systems powered by black holes in young star clusters: the importance of dynamical exchanges

    Energy Technology Data Exchange (ETDEWEB)

    Mapelli, Michela; Zampieri, Luca, E-mail: michela.mapelli@oapd.inaf.it [INAF-Osservatorio Astronomico di Padova, Vicolo dell' Osservatorio 5, I-35122, Padova (Italy)

    2014-10-10

    We have run 600 N-body simulations of intermediate-mass (∼3500 M {sub ☉}) young star clusters (SCs; with three different metallicities (Z = 0.01, 0.1, and 1 Z {sub ☉}). The simulations include the dependence of stellar properties and stellar winds on metallicity. Massive stellar black holes (MSBHs) with mass >25 M {sub ☉} are allowed to form through direct collapse of very massive metal-poor stars (Z < 0.3 Z {sub ☉}). We focus on the demographics of black hole (BH) binaries that undergo mass transfer via Roche lobe overflow (RLO). We find that 44% of all binaries that undergo an RLO phase (RLO binaries) formed through dynamical exchange. RLO binaries that formed via exchange (RLO-EBs) are powered by more massive BHs than RLO primordial binaries (RLO-PBs). Furthermore, the RLO-EBs tend to start the RLO phase later than the RLO-PBs. In metal-poor SCs (0.01-0.1 Z {sub ☉}), >20% of all RLO binaries are powered by MSBHs. The vast majority of RLO binaries powered by MSBHs are RLO-EBs. We have produced optical color-magnitude diagrams of the simulated RLO binaries, accounting for the emission of both the donor star and the irradiated accretion disk. We find that RLO-PBs are generally associated with bluer counterparts than RLO-EBs. We compare the simulated counterparts with the observed counterparts of nine ultraluminous X-ray sources. We discuss the possibility that IC 342 X-1, Ho IX X-1, NGC 1313 X-2, and NGC 5204 X-1 are powered by an MSBH.

  18. Dynamical mass of a star cluster in M 83: a test of fibre-fed multi-object spectroscopy

    NARCIS (Netherlands)

    Moll, S.L.; Grijs, R.; Anders, P.; Crowther, P.A.; Larsen, S.S.; Smith, L.J.; Portegies Zwart, S.F.

    2008-01-01

    Aims. We obtained VLT/FLAMES+UVES high-resolution, fibre-fed spectroscopy of five young massive clusters (YMCs) in M 83 (NGC 5236). This forms the basis of a pilot study testing the feasibility of using fibre-fed spectroscopy to measure the velocity dispersions of several clusters simultaneously, in

  19. Dynamical mass of a star cluster in M 83: A test of fibre-fed multi-object spectroscopy

    NARCIS (Netherlands)

    Moll, S.L.; de Grijs, R.; Anders, P.; Crowther, P.A.; Larsen, S.S.; Smith, L.J.; Portegies Zwart, S.F.

    2008-01-01

    Aims. We obtained VLT/FLAMES+UVES high-resolution, fibre-fed spectroscopy of five young massive clusters (YMCs) in M 83 (NGC 5236). This forms the basis of a pilot study testing the feasibility of using fibre-fed spectroscopy to measure the velocity dispersions of several clusters simultaneously, in

  20. Anisotropic non-Fermi liquids

    Science.gov (United States)

    Sur, Shouvik; Lee, Sung-Sik

    2016-11-01

    We study non-Fermi-liquid states that arise at the quantum critical points associated with the spin density wave (SDW) and charge density wave (CDW) transitions in metals with twofold rotational symmetry. We use the dimensional regularization scheme, where a one-dimensional Fermi surface is embedded in (3 -ɛ ) -dimensional momentum space. In three dimensions, quasilocal marginal Fermi liquids arise both at the SDW and CDW critical points: the speed of the collective mode along the ordering wave vector is logarithmically renormalized to zero compared to that of Fermi velocity. Below three dimensions, however, the SDW and CDW critical points exhibit drastically different behaviors. At the SDW critical point, a stable anisotropic non-Fermi-liquid state is realized for small ɛ , where not only time but also different spatial coordinates develop distinct anomalous dimensions. The non-Fermi liquid exhibits an emergent algebraic nesting as the patches of Fermi surface are deformed into a universal power-law shape near the hot spots. Due to the anisotropic scaling, the energy of incoherent spin fluctuations disperse with different power laws in different momentum directions. At the CDW critical point, on the other hand, the perturbative expansion breaks down immediately below three dimensions as the interaction renormalizes the speed of charge fluctuations to zero within a finite renormalization group scale through a two-loop effect. The difference originates from the fact that the vertex correction antiscreens the coupling at the SDW critical point whereas it screens at the CDW critical point.

  1. Blue straggler star populations in globular clusters. I. Dynamical properties of blue straggler stars in NGC 3201, NGC 6218, and ω Centauri

    Energy Technology Data Exchange (ETDEWEB)

    Simunovic, Mirko; Puzia, Thomas H., E-mail: msimunov@astro.puc.cl, E-mail: tpuzia@astro.puc.cl [Institute of Astrophysics, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, 7820436 Macul, Santiago (Chile)

    2014-02-10

    We present the first dynamical study of blue straggler stars (BSSs) in three Galactic globular clusters, NGC 3201, NGC 5139 (ω Cen), and NGC 6218, based on medium-resolution spectroscopy (R ≈ 10, 000) obtained with the Inamori-Magellan Areal Camera and Spectrograph mounted at the 6.5 m Baade Magellan telescope. Our BSS candidate selection technique uses HST/ACS and ESO/WFI photometric data out to >4.5 r{sub c} . We use radial velocity measurements to discard non-members and achieve a success rate of ∼93%, which yields a sample of 116 confirmed BSSs. Using the penalized pixel-fitting method (pPXF), we measure the vsin (i) values of the sample BSSs and find their distribution functions peaked at slow velocities with a long tail toward fast velocities in each globular cluster. About 90% of the BSS population in NGC 3201 and NGC 6218 exhibits values in the range 10-50 km s{sup –1}, while about 80% of the BSSs in ω Cen show vsin (i) values between 20 and 70 km s{sup –1}. We find that the BSSs in NGC 3201 and NGC 6218 that show vsin (i) > 50 km s{sup –1} are all found in the central cluster regions, inside a projected 2r{sub c} , of their parent clusters. We find a similar result in ω Cen for BSSs with vsin (i) > 70 km s{sup –1}, which are all, except for two, concentrated inside 2r{sub c} . In all globular clusters, we find rapidly rotating BSSs that have relatively high differential radial velocities that likely put them on hyperbolic orbits, suggestive of strong dynamical interactions in the past. Based on stellar spin-down and dynamical crossing timescales, we estimate that all the observed rapidly rotating BSSs are likely to form in their central cluster regions no longer than ∼300 Myr ago and may be subsequently ejected from their host globular clusters. Using dereddened V – I colors of our photometric selection, we show that blue BSSs in ω Cen with (V – I){sub 0} ≲ 0.25 mag show a significantly increased vsin (i) dispersion compared with

  2. Reflection of light from an anisotropic medium

    OpenAIRE

    Ignatovich, Filipp V.; Ignatovich, Vladimir

    2010-01-01

    We present here a general approach to treat reflection and refraction of light of arbitrary polarization from single axis anisotropic plates. We show that reflection from interface inside the anisotropic medium is accompanied by beam splitting and can create surface waves.

  3. Efficient Wavefield Extrapolation In Anisotropic Media

    KAUST Repository

    Alkhalifah, Tariq

    2014-07-03

    Various examples are provided for wavefield extrapolation in anisotropic media. In one example, among others, a method includes determining an effective isotropic velocity model and extrapolating an equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. The effective isotropic velocity model can be based upon a kinematic geometrical representation of an anisotropic, poroelastic or viscoelastic wavefield. Extrapolating the equivalent propagation can use isotopic, acoustic or elastic operators based upon the determined effective isotropic velocity model. In another example, non-transitory computer readable medium stores an application that, when executed by processing circuitry, causes the processing circuitry to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. In another example, a system includes processing circuitry and an application configured to cause the system to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield.

  4. 15th Cluster workshop

    CERN Document Server

    Laakso, Harri; Escoubet, C. Philippe; The Cluster Active Archive : Studying the Earth’s Space Plasma Environment

    2010-01-01

    Since the year 2000 the ESA Cluster mission has been investigating the small-scale structures and processes of the Earth's plasma environment, such as those involved in the interaction between the solar wind and the magnetospheric plasma, in global magnetotail dynamics, in cross-tail currents, and in the formation and dynamics of the neutral line and of plasmoids. This book contains presentations made at the 15th Cluster workshop held in March 2008. It also presents several articles about the Cluster Active Archive and its datasets, a few overview papers on the Cluster mission, and articles reporting on scientific findings on the solar wind, the magnetosheath, the magnetopause and the magnetotail.

  5. Warm anisotropic inflationary universe model

    International Nuclear Information System (INIS)

    Sharif, M.; Saleem, Rabia

    2014-01-01

    This paper is devoted to the study of warm inflation using vector fields in the background of a locally rotationally symmetric Bianchi type I model of the universe. We formulate the field equations, and slow-roll and perturbation parameters (scalar and tensor power spectra as well as their spectral indices) in the slow-roll approximation. We evaluate all these parameters in terms of the directional Hubble parameter during the intermediate and logamediate inflationary regimes by taking the dissipation factor as a function of the scalar field as well as a constant. In each case, we calculate the observational parameter of interest, i.e., the tensor-scalar ratio in terms of the inflaton. The graphical behavior of these parameters shows that the anisotropic model is also compatible with WMAP7 and the Planck observational data. (orig.)

  6. Warm anisotropic inflationary universe model

    Energy Technology Data Exchange (ETDEWEB)

    Sharif, M.; Saleem, Rabia [University of the Punjab, Department of Mathematics, Lahore (Pakistan)

    2014-02-15

    This paper is devoted to the study of warm inflation using vector fields in the background of a locally rotationally symmetric Bianchi type I model of the universe. We formulate the field equations, and slow-roll and perturbation parameters (scalar and tensor power spectra as well as their spectral indices) in the slow-roll approximation. We evaluate all these parameters in terms of the directional Hubble parameter during the intermediate and logamediate inflationary regimes by taking the dissipation factor as a function of the scalar field as well as a constant. In each case, we calculate the observational parameter of interest, i.e., the tensor-scalar ratio in terms of the inflaton. The graphical behavior of these parameters shows that the anisotropic model is also compatible with WMAP7 and the Planck observational data. (orig.)

  7. Dynamics of Surfactant Clustering at Interfaces and Its Influence on the Interfacial Tension: Atomistic Simulation of a Sodium Hexadecane-Benzene Sulfonate-Tetradecane-Water System.

    Science.gov (United States)

    Paredes, Ricardo; Fariñas-Sánchez, Ana Isabel; Medina-Rodrı Guez, Bryan; Samaniego, Samantha; Aray, Yosslen; Álvarez, Luis Javier

    2018-03-06

    The process of equilibration of the tetradecane-water interface in the presence of sodium hexadecane-benzene sulfonate is studied using intensive atomistic molecular dynamics simulations. Starting as an initial point with all of the surfactants at the interface, it is obtained that the equilibration time of the interface (several microseconds) is orders of magnitude higher than previously reported simulated times. There is strong evidence that this slow equilibration process is due to the aggregation of surfactants molecules on the interface. To determine this fact, temporal evolution of interfacial tension and interfacial formation energy are studied and their temporal variations are correlated with cluster formation. To study cluster evolution, the mean cluster size and the probability that a molecule of surfactant chosen at random is free are obtained as a function of time. Cluster size distribution is estimated, and it is observed that some of the molecules remain free, whereas the rest agglomerate. Additionally, the temporal evolution of the interfacial thickness and the structure of the surfactant molecules on the interface are studied. It is observed how this structure depends on whether the molecules agglomerate or not.

  8. P wave anisotropic tomography of the Alps

    Science.gov (United States)

    Hua, Yuanyuan; Zhao, Dapeng; Xu, Yixian

    2017-06-01

    The first tomographic images of P wave azimuthal and radial anisotropies in the crust and upper mantle beneath the Alps are determined by joint inversions of arrival time data of local earthquakes and teleseismic events. Our results show the south dipping European plate with a high-velocity (high-V) anomaly beneath the western central Alps and the north dipping Adriatic plate with a high-V anomaly beneath the Eastern Alps, indicating that the subduction polarity changes along the strike of the Alps. The P wave azimuthal anisotropy is characterized by mountain chain-parallel fast-velocity directions (FVDs) in the western central Alps and NE-SW FVDs in the Eastern Alps, which may be caused by mantle flow induced by the slab subductions. Our results reveal a negative radial anisotropy (i.e., Vph Vph > Vpv) in the low-velocity mantle wedge, which may reflect the subvertical plate subduction and its induced mantle flow. The results of anisotropic tomography provide important new information on the complex mantle structure and dynamics of the Alps and adjacent regions.

  9. Excitations in clusters

    International Nuclear Information System (INIS)

    Bertsch, G.F.

    2001-01-01

    Statistical reaction theory is an important tool for understanding dynamic processes in clusters as well as for extracting information about theirs energetics. The author reviews the statistical reaction theory and establishes formulas concerning cluster evaporation rates, electron emission and radiative cooling. The author recalls a number of useful formulas for describing the electromagnetic properties of small particles, generalizes them and applies them in the case of alkali metal clusters and of silver clusters. The author ends discussing carbon structures, going from small clusters and molecules to fullerenes and nano-tubes. (A.C.)

  10. Acoustic source localization in an anisotropic plate without knowing its material properties - A new approach.

    Science.gov (United States)

    Park, Won Hyun; Packo, Pawel; Kundu, Tribikram

    2017-08-01

    Acoustic source localization (ASL) in a highly anisotropic plate is a challenging task. The basic assumption in many of the currently available techniques is that the wave propagates along a straight line from the source to the receiving sensor. However, waves in anisotropic solids propagate along curved lines and form non-circular wave fronts. As a result, for a highly anisotropic solid the acoustic source localization techniques that assume straight line propagation of waves from the source to the receiver are bound to produce a significant error. In this paper a new technique is introduced for acoustic source localization in an anisotropic plate by dealing with non-circular shape of wave fronts. Direction vectors of the wave fronts are computed from the Time-Difference-Of-Arrivals (TDOA) at three sensors placed in a cluster, then they are cast into a geometric vector analysis or an optimization process to accurately obtain the acoustic source location. Two common wave front shapes in highly anisotropic plates, rhombus and ellipse, are analyzed. Following this analysis, the acoustic source could be successfully localized without knowing the material properties of the plate. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Finite-volume scheme for anisotropic diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Es, Bram van, E-mail: bramiozo@gmail.com [Centrum Wiskunde & Informatica, P.O. Box 94079, 1090GB Amsterdam (Netherlands); FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands" 1 (Netherlands); Koren, Barry [Eindhoven University of Technology (Netherlands); Blank, Hugo J. de [FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands" 1 (Netherlands)

    2016-02-01

    In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.

  12. Globular Clusters - Guides to Galaxies

    CERN Document Server

    Richtler, Tom; Joint ESO-FONDAP Workshop on Globular Clusters

    2009-01-01

    The principal question of whether and how globular clusters can contribute to a better understanding of galaxy formation and evolution is perhaps the main driving force behind the overall endeavour of studying globular cluster systems. Naturally, this splits up into many individual problems. The objective of the Joint ESO-FONDAP Workshop on Globular Clusters - Guides to Galaxies was to bring together researchers, both observational and theoretical, to present and discuss the most recent results. Topics covered in these proceedings are: internal dynamics of globular clusters and interaction with host galaxies (tidal tails, evolution of cluster masses), accretion of globular clusters, detailed descriptions of nearby cluster systems, ultracompact dwarfs, formations of massive clusters in mergers and elsewhere, the ACS Virgo survey, galaxy formation and globular clusters, dynamics and kinematics of globular cluster systems and dark matter-related problems. With its wide coverage of the topic, this book constitute...

  13. Outflow and clogging of shape-anisotropic grains in hoppers

    Science.gov (United States)

    Stannarius, Ralf; Ashour, Ahmed; Wegner, Sandra; BöRzsöNyi, Tamas

    Silos have been in use in human history for millennia, but still today, the discharge of grains from silos is a process with potential risks and imponderabilities. Models and quantitative predictions have been developed almost exclusively for spherical grains shapes. We study the discharge and clogging processes of shape-anisotropic grains in hoppers, and describe the peculiarities of these materials both in their dynamical properties and in the observed clogging structures. An attempt is made to adapt the well-known equations for spherical material to describe anisometric particles. Funding by DAAD and M\\x96B is acknowledged. A. A. acknowledges a scholarship from Future University, Egypt.

  14. Nonaxisymmetric radiative transfer in inhomogeneous cylindrical media with anisotropic scattering

    International Nuclear Information System (INIS)

    Grissa, H.; Askri, F.; Ben Salah, M.; Ben Nasrallah, S.

    2008-01-01

    In this paper, the control volume finite element method (CVFEM) is applied for the first time to solve nonaxisymmetric radiative transfer in inhomogeneous, emitting, absorbing and anisotropic scattering cylindrical media. Mathematical formulations as well as numerical implementation are given and the final discretized equations are based on similar meshes used for convective and conductive heat transfer in computational fluid dynamic analysis. In order to test the efficiency of the developed method, four nonaxisymmetric problems have been examined. Also, the grid dependence and the false scattering of the CVFEM are investigated and compared with the finite volume method and the discrete ordinates interpolation method

  15. Quantum magnets with anisotropic infinite range random interactions.

    Science.gov (United States)

    Arrachea, Liliana; Rozenberg, Marcelo J

    2005-04-01

    Using exact diagonalization techniques, we study the dynamical response of the anisotropic disordered Heisenberg model for systems of S=1/2 spins with infinite range random exchange interactions at temperature T=0. The model can be considered as a generalization, to the quantum case, of the well-known Sherrington-Kirkpatrick classical spin glass model. We also compute and study the behavior of the Edwards Anderson order parameter and energy per spin as the anisotropy evolves from the Ising to the Heisenberg limits.

  16. Oscillating electromagnetic soliton in an anisotropic ferromagnetic medium

    Energy Technology Data Exchange (ETDEWEB)

    Sathishkumar, P., E-mail: perumal_sathish@yahoo.co.in [Department of Physics, K.S.R. College of Engineering (Autonomous), Tiruchengode 637215, Tamilnadu (India); Senjudarvannan, R. [Department of Physics, Jansons Institute of Technology, Karumathampatty, Coimbatore 641659 (India)

    2017-05-01

    We investigate theoretically the propagation of electromagnetic oscillating soliton in the form of breather in an anisotropic ferromagnetic medium. The interaction of magnetization with the magnetic field component of the electromagnetic (EM) wave has been studied by solving Maxwell's equations coupled with a Landau–Lifshitz equation for the magnetization of the medium. We made a small perturbation on the magnetization and magnetic field along the direction of propagation of EM wave in the framework of reductive perturbation method and the associated nonlinear magnetization dynamics is governed by a generalized derivative nonlinear Schrödinger (DNLS) equation. In order to understand the dynamics of the concerned system, we employ the Jacobi elliptic function method to solve the DNLS equation and deduce breatherlike soliton modes for the EM wave in the medium. - Highlights: • The propagation of electromagnetic oscillating soliton in an anisotropic ferromagnetic medium is investigated in the presence of varying external magnetic field. • The magnetization and electromagnetic wave modulates in the form of breathing like oscillating solitons. • The governing nonlinear spin dynamical equation is studied through a reductive perturbation method. • The magnetization components of the ferromagnetic medium are derived using Jacobi elliptic functions method with the aid of symbolic computation.

  17. Anisotropic magnetoresistance in a Fermi glass

    International Nuclear Information System (INIS)

    Ovadyahu, Z.; Physics Department, Ben-Gurion University of the Negev, Beer-Sheva, Israel 84120)

    1986-01-01

    Insulating thin films of indium oxide exhibit negative, anisotropic magnetoresistance. The systematics of these results imply that the magnetoresistance mechanism may give different weight to the distribution of the localization lengths than that given by the hopping conductivity

  18. Nanoplasma dynamics of single large xenon clusters irradiated with superintense x-ray pulses from the linac coherent light source free-electron laser.

    Science.gov (United States)

    Gorkhover, T; Adolph, M; Rupp, D; Schorb, S; Epp, S W; Erk, B; Foucar, L; Hartmann, R; Kimmel, N; Kühnel, K-U; Rolles, D; Rudek, B; Rudenko, A; Andritschke, R; Aquila, A; Bozek, J D; Coppola, N; Erke, T; Filsinger, F; Gorke, H; Graafsma, H; Gumprecht, L; Hauser, G; Herrmann, S; Hirsemann, H; Hömke, A; Holl, P; Kaiser, C; Krasniqi, F; Meyer, J-H; Matysek, M; Messerschmidt, M; Miessner, D; Nilsson, B; Pietschner, D; Potdevin, G; Reich, C; Schaller, G; Schmidt, C; Schopper, F; Schröter, C D; Schulz, J; Soltau, H; Weidenspointner, G; Schlichting, I; Strüder, L; Ullrich, J; Möller, T; Bostedt, C

    2012-06-15

    The plasma dynamics of single mesoscopic Xe particles irradiated with intense femtosecond x-ray pulses exceeding 10(16)  W/cm2 from the Linac Coherent Light Source free-electron laser are investigated. Simultaneous recording of diffraction patterns and ion spectra allows eliminating the influence of the laser focal volume intensity and particle size distribution. The data show that for clusters illuminated with intense x-ray pulses, highly charged ionization fragments in a narrow distribution are created and that the nanoplasma recombination is efficiently suppressed.

  19. Modelling Coulomb Collisions in Anisotropic Plasmas

    Science.gov (United States)

    Hellinger, P.; Travnicek, P. M.

    2009-12-01

    Collisional transport in anisotropic plasmas is investigated comparing the theoretical transport coefficients (Hellinger and Travnicek, 2009) for anisotropic particles with the results of the corresponding Langevin equation, obtained as a generalization of Manheimer et al. (1997). References: Hellinger, P., and P. M. Travnicek (2009), On Coulomb collisions in bi-Maxwellian plasmas, Phys. Plasmas, 16, 054501. Manheimer, W. M., M. Lampe and G. Joyce (1997), Langevin representation of Coulomb collisions in PIC simulations, J. Comput. Phys., 138, 563-584.

  20. Anisotropic rectangular metric for polygonal surface remeshing

    KAUST Repository

    Pellenard, Bertrand

    2013-06-18

    We propose a new method for anisotropic polygonal surface remeshing. Our algorithm takes as input a surface triangle mesh. An anisotropic rectangular metric, defined at each triangle facet of the input mesh, is derived from both a user-specified normal-based tolerance error and the requirement to favor rectangle-shaped polygons. Our algorithm uses a greedy optimization procedure that adds, deletes and relocates generators so as to match two criteria related to partitioning and conformity.

  1. Penetration effect in uniaxial anisotropic metamaterials

    Science.gov (United States)

    Vytovtov, K.; Barabanova, E.; Zouhdi, S.

    2018-02-01

    Plane harmonic wave propagation along an interface between vacuum and a semi-infinite anisotropic metamaterial is considered. Possibility of penetration effect in the considered case is studied. It is shown that there is a bulk wave within the anisotropic metamaterial with an arbitrary orientation of the anisotropy axis. It is also proved that a reflected wave must propagate perpendicularly to the interface in the case of the extraordinary wave. Moreover, no wave is reflected in the case of ordinary wave propagation.

  2. An anisotropic elastoplasticity model implemented in FLAG

    Energy Technology Data Exchange (ETDEWEB)

    Buechler, Miles Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Canfield, Thomas R. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-12

    Many metals, including Tantalum and Zirconium, exhibit anisotropic elastoplastic behavior at the single crystal level, and if components are manufactured from these metals through forming processes the polycrystal (component) may also exhibit anisotropic elastoplastic behavior. This is because the forming can induce a preferential orientation of the crystals in the polycrystal. One example is a rolled plate of Uranium where the sti /strong orientation of the crystal (c-axis) tends to align itself perpendicular to the rolling direction. If loads are applied to this plate in di erent orientations the sti ness as well as the ow strength of the material will be greater in the through thickness direction than in other directions. To better accommodate simulations of such materials, an anisotropic elastoplasticity model has been implemented in FLAG. The model includes an anisotropic elastic stress model as well as an anisotropic plasticity model. The model could represent single crystals of any symmetry, though it should not be confused with a high- delity crystal plasticity model with multiple slip planes and evolutions. The model is most appropriate for homogenized polycrystalline materials. Elastic rotation of the material due to deformation is captured, so the anisotropic models are appropriate for arbitrary large rotations, but currently they do not account for signi cant change in material texture beyond the elastic rotation of the entire polycrystal.

  3. Cluster Synchronization Algorithms

    NARCIS (Netherlands)

    Xia, Weiguo; Cao, Ming

    2010-01-01

    This paper presents two approaches to achieving cluster synchronization in dynamical multi-agent systems. In contrast to the widely studied synchronization behavior, where all the coupled agents converge to the same value asymptotically, in the cluster synchronization problem studied in this paper,

  4. Anomalous breaking of anisotropic scaling symmetry in the quantum lifshitz model

    NARCIS (Netherlands)

    Baggio, M.; de Boer, J.; Holsheimer, K.

    2012-01-01

    In this note we investigate the anomalous breaking of anisotropic scaling symmetry (t, x) → (λ z t, λ x) in a non-relativistic field theory with dynamical exponent z = 2. On general grounds, one can show that there exist two possible "central charges" which characterize the breaking of scale

  5. Clusters in nuclei

    CERN Document Server

    Following the pioneering discovery of alpha clustering and of molecular resonances, the field of nuclear clustering is today one of those domains of heavy-ion nuclear physics that faces the greatest challenges, yet also contains the greatest opportunities. After many summer schools and workshops, in particular over the last decade, the community of nuclear molecular physicists has decided to collaborate in producing a comprehensive collection of lectures and tutorial reviews covering the field. This third volume follows the successful Lect. Notes Phys. 818 (Vol. 1) and 848 (Vol. 2), and comprises six extensive lectures covering the following topics:  - Gamma Rays and Molecular Structure - Faddeev Equation Approach for Three Cluster Nuclear Reactions - Tomography of the Cluster Structure of Light Nuclei Via Relativistic Dissociation - Clustering Effects Within the Dinuclear Model : From Light to Hyper-heavy Molecules in Dynamical Mean-field Approach - Clusterization in Ternary Fission - Clusters in Light N...

  6. Mechanics of anisotropic spring networks.

    Science.gov (United States)

    Zhang, T; Schwarz, J M; Das, Moumita

    2014-12-01

    We construct and analyze a model for a disordered linear spring network with anisotropy. The modeling is motivated by, for example, granular systems, nematic elastomers, and ultimately cytoskeletal networks exhibiting some underlying anisotropy. The model consists of a triangular lattice with two different bond occupation probabilities, p(x) and p(y), for the linear springs. We develop an effective medium theory (EMT) to describe the network elasticity as a function of p(x) and p(y). We find that the onset of rigidity in the EMT agrees with Maxwell constraint counting. We also find beyond linear behavior in the shear and bulk modulus as a function of occupation probability in the rigid phase for small strains, which differs from the isotropic case. We compare our EMT with numerical simulations to find rather good agreement. Finally, we discuss the implications of extending the reach of effective medium theory as well as draw connections with prior work on both anisotropic and isotropic spring networks.

  7. Rotational discontinuities in anisotropic plasmas

    International Nuclear Information System (INIS)

    Omidi, N.

    1992-01-01

    The kinetic structure of rotational discontinuities (RDs) in anisotropic plasmas with T perpendicular /T parallel > 1 is investigated by using a one-dimensional electromagnetic hybrid code. To form the RD, a new approach is used where the plasma is injected from one boundary and reflected from the other, resulting in the generation of a traveling fast shock and an RD. Unlike the previously used methods, no a priori assumptions are made regarding the initial structure (i.e. width or sense of rotation) of the rotational discontinuity. The results show that across the RD both the magnetic field strength and direction, as well as the plasma density change. Given that such a change can also be associated with an intermediate shock, the Rankine-Hugoniot relations are used to confirm that the observed structures are indeed RDs. It is found that the thickness of RDs is a few ion inertial lengths and is independent of the rotation angle. Also, the preferred sense of rotation is in the electron sense; however, RDs with a rotation angle larger than 180 degree are found to be unstable, changing their rotation to a stable ion sense

  8. Simplified Dynamic Structural Time History Response Analysis of Flexible Approach Walls Founded on Clustered Pile Groups Using Impact_Deck

    Science.gov (United States)

    2016-07-01

    displacements). These differences explain why a dynamic analysis is required versus a static analysis, which the user provided impact load is applied as...structural response forces (and displacements). These differences explain why a dynamic analysis is required versus a static analysis in which the...forces (and displacements). These differences explain why a dynamic analysis is required versus a static analysis in which the user-provided impact load

  9. Realization of Anisotropic Diamagnetic Kepler Problem in a Solid State Environment

    International Nuclear Information System (INIS)

    Chen Zhanghai; Zhou Weihang; Zhang Bo; Yu, C. H.; Zhu Jingbing; Lu Wei; Shen, S. C.

    2009-01-01

    The anisotropic diamagnetic Kepler problem (ADKP) is realized experimentally by the orbital electrons of a P donor in Si under magnetic fields. The interference of electron wave packets which leads to quasi-Landau resonances (QLR) were observed. Applying the closed-orbit theory to an anisotropic solid state environment, we have identified orbits responsible for the QLR manifesting the quantum chaotic behavior in Rydberg atoms. The excellent consistency between the measured spectra and theoretical calculation provides unambiguous evidence of quantum chaotic dynamics of electrons in the ADKP.

  10. Complete mapping of the anisotropic free energy of the crystal-melt interface in Al

    International Nuclear Information System (INIS)

    Morris, James R.

    2002-01-01

    We have calculated the complete anisotropic crystal-melt interfacial free energy of aluminum, using molecular dynamics simulations of the interfaces in equilibrium. The interfacial free energy, γ(n), can be expressed in terms of two anisotropic parameters, ε=1.2% and δ=-1.2%, as well as an average free energy of γ 0 =149 mJ/m 2 in reasonable agreement with current experimental results. The expansion of the free energy in terms of these parameters is consistent with six different orientations, including the (111) interfacial plane, which is found to be rough despite its large stiffness

  11. THE ACCOUNTING OF A FACTOR OF TRANSBOUNDARY CLUSTERING DYNAMICS OF ECONOMIC AND RESIDENTIAL SYSTEMS OF COASTAL ZONES OF RUSSIA: GEOINFORMATION ASPECT

    Directory of Open Access Journals (Sweden)

    A. G. Druzhinin

    2017-01-01

    Full Text Available Both thalasso-attractiveness of the whole Russia and its poly-scale inversions (existing at macro- and meso-levels have been pointed out. Their causes have been shown (including the conjugation with economic clustering and the development of cross-border and transnational ties. On the basis of geoinformation approach the inventory and typology of cross-border clusters in the coastal zones of European Russia has been implemented; the factors and prospects for their formation, functioning and development are analyzed and theoretically considered. Based on the synthesis of instrumental approaches implemented in the study (including the socio-economic zoning and economic (eco-economic structuring of the World’s oceans, the full-scale delimitation and typology of the coastal zone have been made (for all coastal regions of the European part of Russia, taking into account its regional socio-economic and residential specifics, geo-economic and geopolitical context, as well as the extent and nature of cross-border economic and socio-cultural relations. The prototype of the cartographic model of the settlement systems’ evolution in the coastal zone of the European part of Russia has been proposed (including its indicators and principles of scale. Based on it, as well as on the generated database (containing detailed demographic and socio-economic information for 14 regions and 94 “seaside” municipalities, the schematic map of the localization and dynamics of the seaside settlement is developed for the Baltic (Saint Petersburg, Leningrad Region, Kaliningrad Region and the Black Sea coast (Crimea. Analytical matrix of the settlement system has been submitted with the application of cluster and network structures and key infrastructure components. The model has allowed us to assess the projection of structural, technological, market-cyclical and geopolitical factors on the dynamics of settlement in coastal zones (with the emphasis on the dynamics of

  12. Cluster analysis of signal-intensity time course in dynamic breast MRI: does unsupervised vector quantization help to evaluate small mammographic lesions?

    Energy Technology Data Exchange (ETDEWEB)

    Leinsinger, Gerda; Schlossbauer, Thomas; Scherr, Michael; Lange, Oliver; Reiser, Maximilian; Wismueller, Axel [Institute for Clinical Radiology University of Munich, Munich (Germany)

    2006-05-15

    We examined whether neural network clustering could support the characterization of diagnostically challenging breast lesions in dynamic magnetic resonance imaging (MRI). We examined 88 patients with 92 breast lesions (51 malignant, 41 benign). Lesions were detected by mammography and classified Breast Imaging and Reporting Data System (BIRADS) III (median diameter 14 mm). MRI was performed with a dynamic T1-weighted gradient echo sequence (one precontrast and five postcontrast series). Lesions with an initial contrast enhancement {>=}50% were selected with semiautomatic segmentation. For conventional analysis, we calculated the mean initial signal increase and postinitial course of all voxels included in a lesion. Secondly, all voxels within the lesions were divided into four clusters using minimal-free-energy vector quantization (VQ). With conventional analysis, maximum accuracy in detecting breast cancer was 71%. With VQ, a maximum accuracy of 75% was observed. The slight improvement using VQ was mainly achieved by an increase of sensitivity, especially in invasive lobular carcinoma and ductal carcinoma in situ (DCIS). For lesion size, a high correlation between different observers was found (R{sup 2} = 0.98). VQ slightly improved the discrimination between malignant and benign indeterminate lesions (BIRADS III) in comparison with a standard evaluation method. (orig.)

  13. Adaptive swarm cluster-based dynamic multi-objective synthetic minority oversampling technique algorithm for tackling binary imbalanced datasets in biomedical data classification.

    Science.gov (United States)

    Li, Jinyan; Fong, Simon; Sung, Yunsick; Cho, Kyungeun; Wong, Raymond; Wong, Kelvin K L

    2016-01-01

    An imbalanced dataset is defined as a training dataset that has imbalanced proportions of data in both interesting and uninteresting classes. Often in biomedical applications, samples from the stimulating class are rare in a population, such as medical anomalies, positive clinical tests, and particular diseases. Although the target samples in the primitive dataset are small in number, the induction of a classification model over such training data leads to poor prediction performance due to insufficient training from the minority class. In this paper, we use a novel class-balancing method named adaptive swarm cluster-based dynamic multi-objective synthetic minority oversampling technique (ASCB_DmSMOTE) to solve this imbalanced dataset problem, which is common in biomedical applications. The proposed method combines under-sampling and over-sampling into a swarm optimisation algorithm. It adaptively selects suitable parameters for the rebalancing algorithm to find the best solution. Compared with the other versions of the SMOTE algorithm, significant improvements, which include higher accuracy and credibility, are observed with ASCB_DmSMOTE. Our proposed method tactfully combines two rebalancing techniques together. It reasonably re-allocates the majority class in the details and dynamically optimises the two parameters of SMOTE to synthesise a reasonable scale of minority class for each clustered sub-imbalanced dataset. The proposed methods ultimately overcome other conventional methods and attains higher credibility with even greater accuracy of the classification model.

  14. Design and development of anisotropic inorganic/polystyrene nanocomposites by surface modification of zinc oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xiao [School of Materials Science and Engineering, Tongji University, Shanghai 200092 (China); Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); Huang, Shiming [Department of Physics, Tongji University, Shanghai 200092 (China); Wang, Yilong, E-mail: yilongwang@tongji.edu.cn [Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); Shi, Donglu, E-mail: shid@ucmail.uc.edu [Research Center for Translational Medicine, East Hospital, the Institute for Biomedical Engineering & Nano Science, Tongji University School of Medicine, Shanghai 200092 (China); The Materials Science and Engineering Program, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, OH 45221 (United States)

    2016-07-01

    Anisotropic yolk/shell or Janus inorganic/polystyrene nanocomposites were prepared by combining miniemulsion polymerization and sol–gel reaction. The morphologies of the anisotropic composites were found to be greatly influenced by surface modification of zinc oxide (ZnO) nanoparticle seeds. Two different types of the oleic acid modified ZnO nanoparticles (OA-ZnO) were prepared by post-treatment of commercial ZnO powder and homemade OA-ZnO nanoparticles. The morphologies and properties of the nanocomposites were investigated by transmission electron microscope (TEM), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), dynamic light scattering (DLS), and energy dispersive X-ray spectroscopy (EDX). It was found that both post-treated OA-ZnO and in-situ prepared OA-ZnO nanoparticles resulted in the yolk–shell and Janus structure nanocomposites, but with varied size and morphology. These nanocomposites showed stable and strong fluorescence by introducing quantum dots as the co-seeds. The fluorescent anisotropic nanocomposites were decorated separately with surface carboxyl and hydroxyl groups. These composites with unique anisotropic properties will have high potential in biomedical applications, particularly in bio-detection. - Graphical abstract: Design and development of anisotropic inorganic/polystyrene nanocomposites by surface modification of zinc oxide nanoparticles. - Highlights: • Non-magnetic anisotropic yolk/shell or Janus nanocomposites are prepared and characterized. • Different surface modification of zinc oxide (ZnO) nanoparticles results in varied morphology and size of the final product. • Fluorescent anisotropic nanocomposites embodying quantum dots are an ideal candidate for bio-detection applications.

  15. Direct observation of preferential processing of clustered abasic DNA damages with APE1 in TATA box and CpG island by reaction kinetics and fluorescence dynamics.

    Science.gov (United States)

    Singh, Vandana; Kumari, Bhavini; Maity, Banibrata; Seth, Debabrata; Das, Prolay

    2014-01-01

    Sequences like the core element of TATA box and CpG island are frequently encountered in the genome and related to transcription. The fate of repair of clustered abasic sites in such sequences of genomic importance is largely unknown. This prompted us to investigate the sequence dependence of cleavage efficiency of APE1 enzyme at abasic sites within the core sequences of TATA box and CpG island using fluorescence dynamics and reaction kinetics. Simultaneous molecular dynamics study through steady state and time resolved fluorescence spectroscopy using unique ethidium bromide dye release assay confirmed an elevated amount of abasic site cleavage of the TATA box sequence as compared to the core CpG island. Reaction kinetics showed that catalytic efficiency of APE1 for abasic site cleavage of core CpG island sequence was ∼4 times lower as compared to that of the TATA box. Higher value of Km was obtained from the core CpG island sequence than the TATA box sequence. This suggests a greater binding effect of APE1 enzyme on TATA sequence that signifies a prominent role of the sequence context of the DNA substrate. Evidently, a faster response from APE1 was obtained for clustered abasic damage repair of TATA box core sequences than CpG island consensus sequences. The neighboring bases of the abasic sites in the complementary DNA strand were found to have significant contribution in addition to the flanking bases in modulating APE1 activity. The repair refractivity of the bistranded clustered abasic sites arise from the slow processing of the second abasic site, consequently resulting in decreased overall production of potentially lethal double strand breaks. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Single atom anisotropic magnetoresistance on a topological insulator surface

    KAUST Repository

    Narayan, Awadhesh

    2015-03-12

    © 2015 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft. We demonstrate single atom anisotropic magnetoresistance on the surface of a topological insulator, arising from the interplay between the helical spin-momentum-locked surface electronic structure and the hybridization of the magnetic adatom states. Our first-principles quantum transport calculations based on density functional theory for Mn on Bi2Se3 elucidate the underlying mechanism. We complement our findings with a two dimensional model valid for both single adatoms and magnetic clusters, which leads to a proposed device setup for experimental realization. Our results provide an explanation for the conflicting scattering experiments on magnetic adatoms on topological insulator surfaces, and reveal the real space spin texture around the magnetic impurity.

  17. Anisotropic nanomaterials: structure, growth, assembly, and functions

    Science.gov (United States)

    Sajanlal, Panikkanvalappil R.; Sreeprasad, Theruvakkattil S.; Samal, Akshaya K.; Pradeep, Thalappil

    2011-01-01

    Comprehensive knowledge over the shape of nanomaterials is a critical factor in designing devices with desired functions. Due to this reason, systematic efforts have been made to synthesize materials of diverse shape in the nanoscale regime. Anisotropic nanomaterials are a class of materials in which their properties are direction-dependent and more than one structural parameter is needed to describe them. Their unique and fine-tuned physical and chemical properties make them ideal candidates for devising new applications. In addition, the assembly of ordered one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) arrays of anisotropic nanoparticles brings novel properties into the resulting system, which would be entirely different from the properties of individual nanoparticles. This review presents an overview of current research in the area of anisotropic nanomaterials in general and noble metal nanoparticles in particular. We begin with an introduction to the advancements in this area followed by general aspects of the growth of anisotropic nanoparticles. Then we describe several important synthetic protocols for making anisotropic nanomaterials, followed by a summary of their assemblies, and conclude with major applications. PMID:22110867

  18. Effective medium theory for anisotropic metamaterials

    KAUST Repository

    Zhang, Xiujuan

    2015-01-20

    Materials with anisotropic material parameters can be utilized to fabricate many fascinating devices, such as hyperlenses, metasolids, and one-way waveguides. In this study, we analyze the effects of geometric anisotropy on a two-dimensional metamaterial composed of a rectangular array of elliptic cylinders and derive an effective medium theory for such a metamaterial. We find that it is possible to obtain a closed-form analytical solution for the anisotropic effective medium parameters, provided the aspect ratio of the lattice and the eccentricity of the elliptic cylinder satisfy certain conditions. The derived effective medium theory not only recovers the well-known Maxwell-Garnett results in the quasi-static regime, but is also valid beyond the long-wavelength limit, where the wavelength in the host medium is comparable to the size of the lattice so that previous anisotropic effective medium theories fail. Such an advance greatly broadens the applicable realm of the effective medium theory and introduces many possibilities in the design of structures with desired anisotropic material characteristics. A real sample of a recently theoretically proposed anisotropic medium, with a near-zero index to control the flux, is achieved using the derived effective medium theory, and control of the electromagnetic waves in the sample is clearly demonstrated.

  19. Electron localization in water clusters

    International Nuclear Information System (INIS)

    Landman, U.; Barnett, R.N.; Cleveland, C.L.; Jortner, J.

    1987-01-01

    Electron attachment to water clusters was explored by the quantum path integral molecular dynamics method, demonstrating that the energetically favored localization mode involves a surface state of the excess electron, rather than the precursor of the hydrated electron. The cluster size dependence, the energetics and the charge distribution of these novel electron-cluster surface states are explored. 20 refs., 2 figs., 1 tab

  20. Cluster headache

    Science.gov (United States)

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...