WorldWideScience

Sample records for dynamic cluster models

  1. 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

  2. Clustering properties of dynamical dark energy models

    International Nuclear Information System (INIS)

    Avelino, P. P.; Beca, L. M. G.; Martins, C. J. A. P.

    2008-01-01

    We provide a generic but physically clear discussion of the clustering properties of dark energy models. We explicitly show that in quintessence-type models the dark energy fluctuations, on scales smaller than the Hubble radius, are of the order of the perturbations to the Newtonian gravitational potential, hence necessarily small on cosmological scales. Moreover, comparable fluctuations are associated with different gauge choices. We also demonstrate that the often used homogeneous approximation is unrealistic, and that the so-called dark energy mutation is a trivial artifact of an effective, single fluid description. Finally, we discuss the particular case where the dark energy fluid is nonminimally coupled to dark matter

  3. Validating clustering of molecular dynamics simulations using polymer models

    Directory of Open Access Journals (Sweden)

    Phillips Joshua L

    2011-11-01

    Full Text Available Abstract Background Molecular dynamics (MD simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our

  4. 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 ...

  5. 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...

  6. 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.

  7. Cluster dynamics models of irradiation damage accumulation in ferritic iron. I. Trap mediated interstitial cluster diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Kohnert, Aaron A.; Wirth, Brian D. [University of Tennessee, Knoxville, Tennessee 37996-2300 (United States)

    2015-04-21

    The microstructure that develops under low temperature irradiation in ferritic alloys is dominated by a high density of small (2–5 nm) defects. These defects have been widely observed to move via occasional discrete hops during in situ thin film irradiation experiments. Cluster dynamics models are used to describe the formation of these defects as an aggregation process of smaller clusters created as primary damage. Multiple assumptions regarding the mobility of these damage features are tested in the models, both with and without explicit consideration of such irradiation induced hops. Comparison with experimental data regarding the density of these defects demonstrates the importance of including such motions in a valid model. In particular, discrete hops inform the limited dependence of defect density on irradiation temperature observed in experiments, which the model was otherwise incapable of producing.

  8. 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.

  9. Running and rotating: modelling the dynamics of migrating cell clusters

    Science.gov (United States)

    Copenhagen, Katherine; Gov, Nir; Gopinathan, Ajay

    Collective motion of cells is a common occurrence in many biological systems, including tissue development and repair, and tumor formation. Recent experiments have shown cells form clusters in a chemical gradient, which display three different phases of motion: translational, rotational, and random. We present a model for cell clusters based loosely on other models seen in the literature that involves a Vicsek-like alignment as well as physical collisions and adhesions between cells. With this model we show that a mechanism for driving rotational motion in this kind of system is an increased motility of rim cells. Further, we examine the details of the relationship between rim and core cells, and find that the phases of the cluster as a whole are correlated with the creation and annihilation of topological defects in the tangential component of the velocity field.

  10. 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...

  11. 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.

  12. Nuclear clustering - a cluster core model study

    International Nuclear Information System (INIS)

    Paul Selvi, G.; Nandhini, N.; Balasubramaniam, M.

    2015-01-01

    Nuclear clustering, similar to other clustering phenomenon in nature is a much warranted study, since it would help us in understanding the nature of binding of the nucleons inside the nucleus, closed shell behaviour when the system is highly deformed, dynamics and structure at extremes. Several models account for the clustering phenomenon of nuclei. We present in this work, a cluster core model study of nuclear clustering in light mass nuclei

  13. Dynamics analysis of SIR epidemic model with correlation coefficients and clustering coefficient in networks.

    Science.gov (United States)

    Zhang, Juping; Yang, Chan; Jin, Zhen; Li, Jia

    2018-07-14

    In this paper, the correlation coefficients between nodes in states are used as dynamic variables, and we construct SIR epidemic dynamic models with correlation coefficients by using the pair approximation method in static networks and dynamic networks, respectively. Considering the clustering coefficient of the network, we analytically investigate the existence and the local asymptotic stability of each equilibrium of these models and derive threshold values for the prevalence of diseases. Additionally, we obtain two equivalent epidemic thresholds in dynamic networks, which are compared with the results of the mean field equations. Copyright © 2018 Elsevier Ltd. All rights reserved.

  14. 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

  15. The dynamics of cyclone clustering in re-analysis and a high-resolution climate model

    Science.gov (United States)

    Priestley, Matthew; Pinto, Joaquim; Dacre, Helen; Shaffrey, Len

    2017-04-01

    Extratropical cyclones have a tendency to occur in groups (clusters) in the exit of the North Atlantic storm track during wintertime, potentially leading to widespread socioeconomic impacts. The Winter of 2013/14 was the stormiest on record for the UK and was characterised by the recurrent clustering of intense extratropical cyclones. This clustering was associated with a strong, straight and persistent North Atlantic 250 hPa jet with Rossby wave-breaking (RWB) on both flanks, pinning the jet in place. Here, we provide for the first time an analysis of all clustered events in 36 years of the ERA-Interim Re-analysis at three latitudes (45˚ N, 55˚ N, 65˚ N) encompassing various regions of Western Europe. The relationship between the occurrence of RWB and cyclone clustering is studied in detail. Clustering at 55˚ N is associated with an extended and anomalously strong jet flanked on both sides by RWB. However, clustering at 65(45)˚ N is associated with RWB to the south (north) of the jet, deflecting the jet northwards (southwards). A positive correlation was found between the intensity of the clustering and RWB occurrence to the north and south of the jet. However, there is considerable spread in these relationships. Finally, analysis has shown that the relationships identified in the re-analysis are also present in a high-resolution coupled global climate model (HiGEM). In particular, clustering is associated with the same dynamical conditions at each of our three latitudes in spite of the identified biases in frequency and intensity of RWB.

  16. Estimation of radiation hardening in ferritic steels using the cluster dynamics models

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Jun Hyun; Kim, Whung Whoe; Hong, Jun Hwa [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    2005-07-01

    Evolution of microstructure under irradiation brings about the mechanical property changes of materials, of which the major concern is radiation hardening in this work. Radiation hardening is generally expressed in terms of an increase in yield strength as a function of radiation dose and temperature. Cluster dynamics model for radiation hardening has been developed to describe the evolution of point defects clusters (PDCs) and copperrich precipitates (CRPs). While the mathematical models developed by Stoller focus on the evolution of PDCs in ferritic steels under neutron irradiation, we slightly modify the model by including the CRP growth and estimate the magnitude of hardening induced by PDC and CRP. The model is then used to calculate the changes in yield strength of RPV steels. The calculation results are compared to measured yield strength values, obtained from surveillance testing of PWR vessel steels in France.

  17. Cluster dynamics models of irradiation damage accumulation in ferritic iron. II. Effects of reaction dimensionality

    Energy Technology Data Exchange (ETDEWEB)

    Kohnert, Aaron A.; Wirth, Brian D. [University of Tennessee, Knoxville, Tennessee 37996-2300 (United States)

    2015-04-21

    The black dot damage features which develop in iron at low temperatures exhibit significant mobility during in situ irradiation experiments via a series of discrete, intermittent, long range hops. By incorporating this mobility into cluster dynamics models, the temperature dependence of such damage structures can be explained with a surprising degree of accuracy. Such motion, however, is one dimensional in nature. This aspect of the physics has not been fully considered in prior models. This article describes one dimensional reaction kinetics in the context of cluster dynamics and applies them to the black dot problem. This allows both a more detailed description of the mechanisms by which defects execute irradiation-induced hops while allowing a full examination of the importance of kinetic assumptions in accurately assessing the development of this irradiation microstructure. Results are presented to demonstrate whether one dimensional diffusion alters the dependence of the defect population on factors such as temperature and defect hop length. Finally, the size of interstitial loops that develop is shown to depend on the extent of the reaction volumes between interstitial clusters, as well as the dimensionality of these interactions.

  18. 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....

  19. 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.

  20. The effect of gas dynamics on semi-analytic modelling of cluster galaxies

    Science.gov (United States)

    Saro, A.; De Lucia, G.; Dolag, K.; Borgani, S.

    2008-12-01

    We study the degree to which non-radiative gas dynamics affect the merger histories of haloes along with subsequent predictions from a semi-analytic model (SAM) of galaxy formation. To this aim, we use a sample of dark matter only and non-radiative smooth particle hydrodynamics (SPH) simulations of four massive clusters. The presence of gas-dynamical processes (e.g. ram pressure from the hot intra-cluster atmosphere) makes haloes more fragile in the runs which include gas. This results in a 25 per cent decrease in the total number of subhaloes at z = 0. The impact on the galaxy population predicted by SAMs is complicated by the presence of `orphan' galaxies, i.e. galaxies whose parent substructures are reduced below the resolution limit of the simulation. In the model employed in our study, these galaxies survive (unaffected by the tidal stripping process) for a residual merging time that is computed using a variation of the Chandrasekhar formula. Due to ram-pressure stripping, haloes in gas simulations tend to be less massive than their counterparts in the dark matter simulations. The resulting merging times for satellite galaxies are then longer in these simulations. On the other hand, the presence of gas influences the orbits of haloes making them on average more circular and therefore reducing the estimated merging times with respect to the dark matter only simulation. This effect is particularly significant for the most massive satellites and is (at least in part) responsible for the fact that brightest cluster galaxies in runs with gas have stellar masses which are about 25 per cent larger than those obtained from dark matter only simulations. Our results show that gas dynamics has only a marginal impact on the statistical properties of the galaxy population, but that its impact on the orbits and merging times of haloes strongly influences the assembly of the most massive galaxies.

  1. Theoretical study of electronic and dynamic properties of simple metal clusters in jellium model

    International Nuclear Information System (INIS)

    El-Amine Madjet, M.

    1994-01-01

    We have studied the electronic properties of alkali-metal clusters in various theoretical approximations and in the framework of the spherical jellium model. We have investigated the ground state properties of alkali clusters both in the LDA (local density approximation) and in HF (Hartree-Fock) theory. We have compared the LDA predictions of the ground state properties to predictions obtained within the HF theory. Such a comparison permitted us to check the validity of the local density functional theory in describing the ground state of a finite fermion system. For the study of collective dipolar excitations in clusters, we have considered an electromagnetic excitation. We have investigated the collective modes in the following approximations: random phase approximation (RPA), time-dependent local-density approximation (TDLDA) and the sum-rules approach. An assessment of the approximation for the continuum state within the RPA is made by comparing with TDLDA calculations for the static and dynamic electronic properties. The comparative study that we have done on the exchange-correlation effects on the electronic and optical properties have shown that the discrepancies with measured data are due mostly to the jellium approximation for the ionic background. (author). 69 refs., 30 figs., 18 tabs

  2. 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.

  3. Dynamics of star clusters

    International Nuclear Information System (INIS)

    Goodman, J.; Hut, P.

    1985-01-01

    The enigma of core collapse receives much attention in this volume. In addition, several observational papers summarize recent techniques and results and discuss the stellar dynamical implications of the enormous progress in the quality of surface photometry, proper motion studies, radial velocity determinations, as well as space-based measurements in a variety of wavelengths. The value of these Proceedings as a standard reference work is enhanced by the inclusion of two appendices, featuring English translations of two seminal papers on stellar dynamics published in Russian and not previously available in a Western language. A third appendix contains an up-to-date catalogue of observationally determined parameters of galactic globular clusters, as well as theoretically inferred parameters. This catalogue will prove to be an essential reference for phenomenonological studies and an ideal testing ground for new theoretical developments. (orig.)

  4. Effect of binary stars on the dynamical evolution of stellar clusters. II. Analytic evolutionary models

    International Nuclear Information System (INIS)

    Hills, J.G.

    1975-01-01

    We use analytic models to compute the evolution of the core of a stellar system due simultaneously to stellar evaporation which causes the system (core) to contract and to its binaries which cause it to expand by progressively decreasing its binding energy. The evolution of the system is determined by two parameters: the initial number of stars in the system N 0 , and the fraction f/subb/ of its stars which are binaries. For a fixed f/subb/, stellar evaporation initially dominates the dynamical evolution if N 0 is sufficiently large due to the fact that the rate of evaporation is determined chiefly by long-range encounters which increase in importance as the number of stars in the system increases. If stellar evaporation initially dominates, the system first contracts, but as N/subc/, the number of remaining stars in the system, decreases by evaporation, the system reaches a minimum radius and a maximum density and then it expands monotonically as N/subc/ decreases further. Open clusters expand monotonically from the beginning if they have anything approaching average Population I binary frequencies. Globular clusters are highly deficient in binaries in order to have formed and retained the high-density stellar cores observed in most of them. We estimate that for these system f/subb/ < or = 0.15

  5. Effect of self-interstitial diffusion anisotropy in electron-irradiated zirconium: A cluster dynamics modeling

    International Nuclear Information System (INIS)

    Christien, F.; Barbu, A.

    2005-01-01

    A model based on the cluster dynamics approach was proposed in [A. Hardouin Duparc, C. Moingeon, N. Smetniansky-de-Grande, A. Barbu, J. Nucl. Mater. 302 (2002) 143] to describe point defect agglomeration in metals under irradiation. This model is restricted to materials where point defect diffusion is isotropic and is thus not applicable to anisotropic metals such as zirconium. Following the approach proposed by Woo [C.H. Woo, J. Nucl. Mater. 159 (1988) 237], we extended in this work the model to the case where self-interstitial atoms (SIA) diffusion is anisotropic. The model was then applied to the loop microstructure evolution of a zirconium thin foil irradiated with electrons in a high-voltage microscope. First, the inputs were validated by comparing the numerical results with Hellio et al. experimental results [C. Hellio, C.H. de Novion, L. Boulanger, J. Nucl. Mater. 159 (1988) 368]. Further calculations were made to evidence the effect of the thin foil orientation on the dislocation loop microstructure under irradiation. The result is that it is possible to reproduce for certain orientations the 'unexpected' vacancy loop growth experimentally observed in electron-irradiated zirconium [M. Griffiths, M.H. Loretto, R.E. Sallmann, J. Nucl. Mater. 115 (1983) 313; J. Nucl. Mater. 115 (1983) 323; Philos. Mag. A 49 (1984) 613]. This effect is directly linked to SIA diffusion anisotropy

  6. 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.

  7. A multi-Poisson dynamic mixture model to cluster developmental patterns of gene expression by RNA-seq.

    Science.gov (United States)

    Ye, Meixia; Wang, Zhong; Wang, Yaqun; Wu, Rongling

    2015-03-01

    Dynamic changes of gene expression reflect an intrinsic mechanism of how an organism responds to developmental and environmental signals. With the increasing availability of expression data across a time-space scale by RNA-seq, the classification of genes as per their biological function using RNA-seq data has become one of the most significant challenges in contemporary biology. Here we develop a clustering mixture model to discover distinct groups of genes expressed during a period of organ development. By integrating the density function of multivariate Poisson distribution, the model accommodates the discrete property of read counts characteristic of RNA-seq data. The temporal dependence of gene expression is modeled by the first-order autoregressive process. The model is implemented with the Expectation-Maximization algorithm and model selection to determine the optimal number of gene clusters and obtain the estimates of Poisson parameters that describe the pattern of time-dependent expression of genes from each cluster. The model has been demonstrated by analyzing a real data from an experiment aimed to link the pattern of gene expression to catkin development in white poplar. The usefulness of the model has been validated through computer simulation. The model provides a valuable tool for clustering RNA-seq data, facilitating our global view of expression dynamics and understanding of gene regulation mechanisms. © The Author 2014. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  8. ODE, RDE and SDE models of cell cycle dynamics and clustering in yeast.

    Science.gov (United States)

    Boczko, Erik M; Gedeon, Tomas; Stowers, Chris C; Young, Todd R

    2010-07-01

    Biologists have long observed periodic-like oxygen consumption oscillations in yeast populations under certain conditions, and several unsatisfactory explanations for this phenomenon have been proposed. These ‘autonomous oscillations’ have often appeared with periods that are nearly integer divisors of the calculated doubling time of the culture. We hypothesize that these oscillations could be caused by a form of cell cycle synchronization that we call clustering. We develop some novel ordinary differential equation models of the cell cycle. For these models, and for random and stochastic perturbations, we give both rigorous proofs and simulations showing that both positive and negative growth rate feedback within the cell cycle are possible agents that can cause clustering of populations within the cell cycle. It occurs for a variety of models and for a broad selection of parameter values. These results suggest that the clustering phenomenon is robust and is likely to be observed in nature. Since there are necessarily an integer number of clusters, clustering would lead to periodic-like behaviour with periods that are nearly integer divisors of the period of the cell cycle. Related experiments have shown conclusively that cell cycle clustering occurs in some oscillating yeast cultures.

  9. 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.

  10. 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.

  11. Dynamical aspects of galaxy clustering

    International Nuclear Information System (INIS)

    Fall, S.M.

    1980-01-01

    Some recent work on the origin and evolution of galaxy clustering is reviewed, particularly within the context of the gravitational instability theory and the hot big-bang cosmological model. Statistical measures of clustering, including correlation functions and multiplicity functions, are explained and discussed. The close connection between galaxy formation and clustering is emphasized. Additional topics include the dependence of galaxy clustering on the spectrum of primordial density fluctuations and the mean mass density of the Universe. (author)

  12. 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.

  13. Hydration dynamics in water clusters via quantum molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, Budapest 112, P. O. Box 32, H-1518 (Hungary)

    2014-05-28

    We have investigated the hydration dynamics in size selected water clusters with n = 66, 104, 200, 500, and 1000 water molecules using molecular dynamics simulations. To study the most fundamental aspects of relaxation phenomena in clusters, we choose one of the simplest, still realistic, quantum mechanically treated test solute, an excess electron. The project focuses on the time evolution of the clusters following two processes, electron attachment to neutral equilibrated water clusters and electron detachment from an equilibrated water cluster anion. The relaxation dynamics is significantly different in the two processes, most notably restoring the equilibrium final state is less effective after electron attachment. Nevertheless, in both scenarios only minor cluster size dependence is observed. Significantly different relaxation patterns characterize electron detachment for interior and surface state clusters, interior state clusters relaxing significantly faster. This observation may indicate a potential way to distinguish surface state and interior state water cluster anion isomers experimentally. A comparison of equilibrium and non-equilibrium trajectories suggests that linear response theory breaks down for electron attachment at 200 K, but the results converge to reasonable agreement at higher temperatures. Relaxation following electron detachment clearly belongs to the linear regime. Cluster relaxation was also investigated using two different computational models, one preferring cavity type interior states for the excess electron in bulk water, while the other simulating non-cavity structure. While the cavity model predicts appearance of several different hydrated electron isomers in agreement with experiment, the non-cavity model locates only cluster anions with interior excess electron distribution. The present simulations show that surface isomers computed with the cavity predicting potential show similar dynamical behavior to the interior clusters of

  14. 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

  15. Spatial cluster modelling

    CERN Document Server

    Lawson, Andrew B

    2002-01-01

    Research has generated a number of advances in methods for spatial cluster modelling in recent years, particularly in the area of Bayesian cluster modelling. Along with these advances has come an explosion of interest in the potential applications of this work, especially in epidemiology and genome research. In one integrated volume, this book reviews the state-of-the-art in spatial clustering and spatial cluster modelling, bringing together research and applications previously scattered throughout the literature. It begins with an overview of the field, then presents a series of chapters that illuminate the nature and purpose of cluster modelling within different application areas, including astrophysics, epidemiology, ecology, and imaging. The focus then shifts to methods, with discussions on point and object process modelling, perfect sampling of cluster processes, partitioning in space and space-time, spatial and spatio-temporal process modelling, nonparametric methods for clustering, and spatio-temporal ...

  16. Innovation, learning and cluster dynamics

    NARCIS (Netherlands)

    B. Nooteboom (Bart)

    2004-01-01

    textabstractThis chapter offers a theory and method for the analysis of the dynamics, i.e. the development, of clusters for innovation. It employs an analysis of three types of embedding: institutional embedding, which is often localized, structural embedding (network structure), and relational

  17. Dynamics of rich clusters of galaxies. I. The Coma cluster

    International Nuclear Information System (INIS)

    Kent, S.M.; Gunn, J.E.

    1982-01-01

    The structure and dynamics of the Coma cluster are analyzed using self-consistent equilibrium dynamical models. Observational material for Coma is culled from a variety of sources. Projected surface, density, and velocity-dispersion profiles are derived extending out to a radius of 3 0 from the cluster center, which are essentially free from field contamination. Segregation of galaxies by luminosity and morphology are discussed and a quantitative estimate of the latter is made. The method of constructing self-consistent dynamical models is discussed. Four different forms of the distribution function are analyzed allowing for different possible dependences of f on energy and angular momentum. Properties of typical models that might resemble actual clusters are presented, and the importance of having velocity-dispersion information is empha sized. The effect of a central massive object such as a cD galaxy on the core structure is illustrated. A comparison of these models with Coma reveals that only models with a distribution function in which the ratio of tangential to radial velocity dispersions is everywhere constant give acceptable fits. In particular, it is possible to rule out models that have isotropic motions in the core and predominantly radial motions in the halo. For H 0 = 50, the best-fitting models give a total projected mass inside 3 0 of 2.9 x 10 15 M/sub sun/ , a core radius of 340--400 kpc (8.5'--10'), an upper limit to any central massive object of approx.10 13 M/sub sun/ , and a mass-to-blue-light ratio of M/L = 181. From cosmological considerations the cluster ''edge'' is determined to lie at rapprox.5 0 --6 0 . The possible distribution of ''dark matter'' in Coma is discussed and it is argued that this distribution cannot be significantly different from that of the galaxies. The dynamics of morphological segregation are examined quantitatively, and are explained at least qualitatively

  18. 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.

  19. Competetive clustering in a bidisperse granular gas : experiment, molecular dynamics, and flux model

    NARCIS (Netherlands)

    Mikkelsen, René; van der Meer, Devaraj; van der Weele, Ko; Lohse, Detlef

    2004-01-01

    A compartmentalized bidisperse granular gas clusters competitively [R. Mikkelsen, D. van der Meer, K. van der Weele, and D. Lohse, Phys. Rev. Lett. 89, 214301 (2002)]: By tuning the shaking strength, the clustering can be directed either towards the compartment initially containing mainly small

  20. Cluster dynamics at different cluster size and incident laser wavelengths

    International Nuclear Information System (INIS)

    Desai, Tara; Bernardinello, Andrea

    2002-01-01

    X-ray emission spectra from aluminum clusters of diameter -0.4 μm and gold clusters of dia. ∼1.25 μm are experimentally studied by irradiating the cluster foil targets with 1.06 μm laser, 10 ns (FWHM) at an intensity ∼10 12 W/cm 2 . Aluminum clusters show a different spectra compared to bulk material whereas gold cluster evolve towards bulk gold. Experimental data are analyzed on the basis of cluster dimension, laser wavelength and pulse duration. PIC simulations are performed to study the behavior of clusters at higher intensity I≥10 17 W/cm 2 for different size of the clusters irradiated at different laser wavelengths. Results indicate the dependence of cluster dynamics on cluster size and incident laser wavelength

  1. Dynamically allocated virtual clustering management system

    Science.gov (United States)

    Marcus, Kelvin; Cannata, Jess

    2013-05-01

    The U.S Army Research Laboratory (ARL) has built a "Wireless Emulation Lab" to support research in wireless mobile networks. In our current experimentation environment, our researchers need the capability to run clusters of heterogeneous nodes to model emulated wireless tactical networks where each node could contain a different operating system, application set, and physical hardware. To complicate matters, most experiments require the researcher to have root privileges. Our previous solution of using a single shared cluster of statically deployed virtual machines did not sufficiently separate each user's experiment due to undesirable network crosstalk, thus only one experiment could be run at a time. In addition, the cluster did not make efficient use of our servers and physical networks. To address these concerns, we created the Dynamically Allocated Virtual Clustering management system (DAVC). This system leverages existing open-source software to create private clusters of nodes that are either virtual or physical machines. These clusters can be utilized for software development, experimentation, and integration with existing hardware and software. The system uses the Grid Engine job scheduler to efficiently allocate virtual machines to idle systems and networks. The system deploys stateless nodes via network booting. The system uses 802.1Q Virtual LANs (VLANs) to prevent experimentation crosstalk and to allow for complex, private networks eliminating the need to map each virtual machine to a specific switch port. The system monitors the health of the clusters and the underlying physical servers and it maintains cluster usage statistics for historical trends. Users can start private clusters of heterogeneous nodes with root privileges for the duration of the experiment. Users also control when to shutdown their clusters.

  2. Agglomeration and Clustering Over the Industry Life Cycle: Toward a Dynamic Model of Geographic Concentration

    NARCIS (Netherlands)

    Wang, L.; Madhok, A.; Li, S.X.

    2014-01-01

    Research on agglomeration finds that either a higher survival rate of incumbent firms or a higher founding rate of new entrants, or both, can sustain an industry cluster. The conditioning effects of time on the two distinct mechanisms of survival and founding are, however, rarely examined. We argue

  3. 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

  4. 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

  5. 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....

  6. Multiscale modelling of precipitation in concentrated alloys: from atomistic Monte Carlo simulations to cluster dynamics I thermodynamics

    Science.gov (United States)

    Lépinoux, J.; Sigli, C.

    2018-01-01

    In a recent paper, the authors showed how the clusters free energies are constrained by the coagulation probability, and explained various anomalies observed during the precipitation kinetics in concentrated alloys. This coagulation probability appeared to be a too complex function to be accurately predicted knowing only the cluster distribution in Cluster Dynamics (CD). Using atomistic Monte Carlo (MC) simulations, it is shown that during a transformation at constant temperature, after a short transient regime, the transformation occurs at quasi-equilibrium. It is proposed to use MC simulations until the system quasi-equilibrates then to switch to CD which is mean field but not limited by a box size like MC. In this paper, we explain how to take into account the information available before the quasi-equilibrium state to establish guidelines to safely predict the cluster free energies.

  7. Molecular dynamics simulations of cluster fission and fusion processes

    DEFF Research Database (Denmark)

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

    2004-01-01

    Results of molecular dynamics simulations of fission reactions Na_10^2+ --> Na_7^+ +Na_3^+ and Na_18^2+ --> 2Na_9^+ are presented. The dependence of the fission barriers on the isomer structure of the parent cluster is analyzed. It is demonstrated that the energy necessary for removing homothetic...... separation of the daughter fragments begins and/or forming a "neck" between the separating fragments. A novel algorithm for modeling the cluster growth process is described. This approach is based on dynamic search for the most stable cluster isomers and allows one to find the optimized cluster geometries...... groups of atoms from the parent cluster is largely independent of the isomer form of the parent cluster. The importance of rearrangement of the cluster structure during the fission process is elucidated. This rearrangement may include transition to another isomer state of the parent cluster before actual...

  8. Cluster model of the nucleus

    International Nuclear Information System (INIS)

    Horiuchi, H.; Ikeda, K.

    1986-01-01

    This article reviews the development of the cluster model study. The stress is put on two points; one is how the cluster structure has come to be regarded as a fundamental structure in light nuclei together with the shell-model structure, and the other is how at present the cluster model is extended to and connected with the studies of the various subjects many of which are in the neighbouring fields. The authors the present the main theme with detailed explanations of the fundamentals of the microscopic cluster model which have promoted the development of the cluster mode. Examples of the microscopic cluster model study of light nuclear structure are given

  9. 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.

  10. 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

  11. 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

    2018-06-01

    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 Λ cold dark matter (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.

  12. Clustering promotes switching dynamics in networks of noisy neurons

    Science.gov (United States)

    Franović, Igor; Klinshov, Vladimir

    2018-02-01

    Macroscopic variability is an emergent property of neural networks, typically manifested in spontaneous switching between the episodes of elevated neuronal activity and the quiescent episodes. We investigate the conditions that facilitate switching dynamics, focusing on the interplay between the different sources of noise and heterogeneity of the network topology. We consider clustered networks of rate-based neurons subjected to external and intrinsic noise and derive an effective model where the network dynamics is described by a set of coupled second-order stochastic mean-field systems representing each of the clusters. The model provides an insight into the different contributions to effective macroscopic noise and qualitatively indicates the parameter domains where switching dynamics may occur. By analyzing the mean-field model in the thermodynamic limit, we demonstrate that clustering promotes multistability, which gives rise to switching dynamics in a considerably wider parameter region compared to the case of a non-clustered network with sparse random connection topology.

  13. Dynamical evolution of galaxies in clusters

    International Nuclear Information System (INIS)

    Ostriker, J.P.

    1977-01-01

    In addition to the processes involved in the evolution of star clusters, there are three kinds of processes that are peculiar to, or far more important in, galaxy clusters than in star clusters: galaxy interactions with gas, high-velocity tidal interactions, and accretion and cannibalism. The latter is discussed at some length; analytical calculations for the apparent luminosity evolution of the first brightest galaxy and the apparent luminosity evolution of M 12 are described, along with the numerical simulation of cluster evolution. It appears that many of the notable features of centrally condensed clusters of galaxies, particularly the presence of very luminous but low-surface-brightness central cD systems, can be understood in terms of a straightforward dynamical theory of galactic cannibalism. It is possible to maintain the hypothesis that dynamical evolution gradually transforms Bautz--Morgan III clusters to type II systems or type I systems. 36 references, 5 figures

  14. Data Analysis of Globular Cluster Harris Catalogue in View of the King Models and Their Dynamical Evolution. I. Theoretical model

    Directory of Open Access Journals (Sweden)

    Marco Merafina

    2014-12-01

    Full Text Available We discuss the possibility to analyze the problem of gravothermal catastrophe in a new way, by obtaining thermodynamical equations to apply to a selfgravitating system. By using the King distribution function in the framework of statistical mechanics we treat the globular clusters evolution as a sequence of quasi-equilibrium thermodynamical states.

  15. Cluster Based Text Classification Model

    DEFF Research Database (Denmark)

    Nizamani, Sarwat; Memon, Nasrullah; Wiil, Uffe Kock

    2011-01-01

    We propose a cluster based classification model for suspicious email detection and other text classification tasks. The text classification tasks comprise many training examples that require a complex classification model. Using clusters for classification makes the model simpler and increases...... the accuracy at the same time. The test example is classified using simpler and smaller model. The training examples in a particular cluster share the common vocabulary. At the time of clustering, we do not take into account the labels of the training examples. After the clusters have been created......, the classifier is trained on each cluster having reduced dimensionality and less number of examples. The experimental results show that the proposed model outperforms the existing classification models for the task of suspicious email detection and topic categorization on the Reuters-21578 and 20 Newsgroups...

  16. 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.

  17. Small clusters: Between dynamics and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Berry, R S

    1989-06-01

    The relation between equilibrium properties and dynamical properties, and between the two kinds of descriptions, is explored by examining the dynamics of isomerization of argon clusters. The same general subject, from the viewpoint of ergodicity and chaos is examined through the fractal dimension of the trajectory in phase space and the Kolmogorov entropy.

  18. Dynamical evolution of clusters with two stellar groups

    Energy Technology Data Exchange (ETDEWEB)

    Angeletti, L; Giannone, P. (Rome Univ. (Italy))

    1977-08-01

    The generalization of the fluid-dynamical approach from one-component star clusters to clusters with several stellar groups (as far as the star masses are concerned) has been applied to the study of two-component clusters. Rather extreme values of stellar masses and masses of groups were chosen in order to emphasize the different dynamical evolutions and asymptotic behaviors. Escape of stars from clusters and the problem of equipartition of kinetic energy among the two star groups are discussed. Comparisons of the main features of the results with those obtained by other authors have shown a good agreement. Some characteristic properties of the last computed models with an age of 18x10/sup 9/ yr have been pointed out and discussed in relation with some observed features of galactic globular clusters.

  19. Clustered multistate models with observation level random effects, mover-stayer effects and dynamic covariates: modelling transition intensities and sojourn times in a study of psoriatic arthritis.

    Science.gov (United States)

    Yiu, Sean; Farewell, Vernon T; Tom, Brian D M

    2018-02-01

    In psoriatic arthritis, it is important to understand the joint activity (represented by swelling and pain) and damage processes because both are related to severe physical disability. The paper aims to provide a comprehensive investigation into both processes occurring over time, in particular their relationship, by specifying a joint multistate model at the individual hand joint level, which also accounts for many of their important features. As there are multiple hand joints, such an analysis will be based on the use of clustered multistate models. Here we consider an observation level random-effects structure with dynamic covariates and allow for the possibility that a subpopulation of patients is at minimal risk of damage. Such an analysis is found to provide further understanding of the activity-damage relationship beyond that provided by previous analyses. Consideration is also given to the modelling of mean sojourn times and jump probabilities. In particular, a novel model parameterization which allows easily interpretable covariate effects to act on these quantities is proposed.

  20. Synthetic properties of models of globular clusters

    Energy Technology Data Exchange (ETDEWEB)

    Angeletti, L; Dolcetta, R; Giannone, P. (Rome Univ. (Italy). Osservatorio Astronomico)

    1980-05-01

    Synthetic and projected properties of models of globular clusters have been computed on the basis of stellar evolution and time changes of the dynamical cluster structure. Clusters with five and eight stellar groups (each group consisting of stars with the same mass) were studied. Mass loss from evolved stars was taken into account. Observational features were obtained at ages of 10-19 x 10/sup 9/ yr. The basic importance of the horizontal- and asymptotic-branch stars was pointed out. A comparison of the results with observed data of M3 is discussed with the purpose of obtaining general indications rather than a specific fit.

  1. Synthetic properties of models of globular clusters

    International Nuclear Information System (INIS)

    Angeletti, L.; Dolcetta, R.; Giannone, P.

    1980-01-01

    Synthetic and projected properties of models of globular clusters have been computed on the basis of stellar evolution and time changes of the dynamical cluster structure. Clusters with five and eight stellar groups (each group consisting of stars with the same mass) were studied. Mass loss from evolved stars was taken into account. Observational features were obtained at ages of 10-19 x 10 9 yr. The basic importance of the horizontal- and asymptotic-branch stars was pointed out. A comparison of the results with observed data of M3 is discussed with the purpose of obtaining general indications rather than a specific fit. (orig.)

  2. 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...

  3. Cluster Correlation in Mixed Models

    Science.gov (United States)

    Gardini, A.; Bonometto, S. A.; Murante, G.; Yepes, G.

    2000-10-01

    We evaluate the dependence of the cluster correlation length, rc, on the mean intercluster separation, Dc, for three models with critical matter density, vanishing vacuum energy (Λ=0), and COBE normalization: a tilted cold dark matter (tCDM) model (n=0.8) and two blue mixed models with two light massive neutrinos, yielding Ωh=0.26 and 0.14 (MDM1 and MDM2, respectively). All models approach the observational value of σ8 (and hence the observed cluster abundance) and are consistent with the observed abundance of damped Lyα systems. Mixed models have a motivation in recent results of neutrino physics; they also agree with the observed value of the ratio σ8/σ25, yielding the spectral slope parameter Γ, and nicely fit Las Campanas Redshift Survey (LCRS) reconstructed spectra. We use parallel AP3M simulations, performed in a wide box (of side 360 h-1 Mpc) and with high mass and distance resolution, enabling us to build artificial samples of clusters, whose total number and mass range allow us to cover the same Dc interval inspected through Automatic Plate Measuring Facility (APM) and Abell cluster clustering data. We find that the tCDM model performs substantially better than n=1 critical density CDM models. Our main finding, however, is that mixed models provide a surprisingly good fit to cluster clustering data.

  4. 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.

  5. Hierarchical cluster-based partial least squares regression (HC-PLSR) is an efficient tool for metamodelling of nonlinear dynamic models.

    Science.gov (United States)

    Tøndel, Kristin; Indahl, Ulf G; Gjuvsland, Arne B; Vik, Jon Olav; Hunter, Peter; Omholt, Stig W; Martens, Harald

    2011-06-01

    Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs) to variation in features of the trajectories of the state variables (outputs) throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR), where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR) and ordinary least squares (OLS) regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback loops. HC-PLSR is a promising approach for

  6. Hierarchical Cluster-based Partial Least Squares Regression (HC-PLSR is an efficient tool for metamodelling of nonlinear dynamic models

    Directory of Open Access Journals (Sweden)

    Omholt Stig W

    2011-06-01

    Full Text Available Abstract Background Deterministic dynamic models of complex biological systems contain a large number of parameters and state variables, related through nonlinear differential equations with various types of feedback. A metamodel of such a dynamic model is a statistical approximation model that maps variation in parameters and initial conditions (inputs to variation in features of the trajectories of the state variables (outputs throughout the entire biologically relevant input space. A sufficiently accurate mapping can be exploited both instrumentally and epistemically. Multivariate regression methodology is a commonly used approach for emulating dynamic models. However, when the input-output relations are highly nonlinear or non-monotone, a standard linear regression approach is prone to give suboptimal results. We therefore hypothesised that a more accurate mapping can be obtained by locally linear or locally polynomial regression. We present here a new method for local regression modelling, Hierarchical Cluster-based PLS regression (HC-PLSR, where fuzzy C-means clustering is used to separate the data set into parts according to the structure of the response surface. We compare the metamodelling performance of HC-PLSR with polynomial partial least squares regression (PLSR and ordinary least squares (OLS regression on various systems: six different gene regulatory network models with various types of feedback, a deterministic mathematical model of the mammalian circadian clock and a model of the mouse ventricular myocyte function. Results Our results indicate that multivariate regression is well suited for emulating dynamic models in systems biology. The hierarchical approach turned out to be superior to both polynomial PLSR and OLS regression in all three test cases. The advantage, in terms of explained variance and prediction accuracy, was largest in systems with highly nonlinear functional relationships and in systems with positive feedback

  7. 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.

  8. Open Cluster Dynamics via Fundamental Plane

    Science.gov (United States)

    Lin, Chien-Cheng; Pang, Xiao-Ying

    2018-04-01

    Open clusters (OCs) are important objects for stellar dynamics studies. The short survival timescale of OCs makes them closely related to the formation of Galactic field stars. We motivate to investigate the dynamical evolution of OCs on the aspect of internal effect and the external influence. Firstly, we make use of the known OC catalog to obtain OCs masses, effective radii. Additionally, we estimate OCs kinematics properties by OC members cross-matched with radial velocity and metallicity from SDSSIV/APOGEE2. We then establish the fundamental plane of OCs based on the radial velocity dispersion, the effective radius, and average surface brightness. The deviation of the fundamental plane from the Virial Plane, so called the tilt, and the r.m.s. dispersion of OCs around the average plane are used to indicate the dynamical status of OCs. Parameters of the fitted plane will vary with cluster age and distance.

  9. Test computations on the dynamical evolution of star clusters

    International Nuclear Information System (INIS)

    Angeletti, L.; Giannone, P.

    1977-01-01

    Test calculations have been carried out on the evolution of star clusters using the fluid-dynamical method devised by Larson (1970). Large systems of stars have been considered with specific concern with globular clusters. With reference to the analogous 'standard' model by Larson, the influence of varying in turn the various free parameters (cluster mass, star mass, tidal radius, mass concentration of the initial model) has been studied for the results. Furthermore, the partial release of some simplifying assumptions with regard to the relaxation time and distribution of the 'target' stars has been considered. The change of the structural properties is discussed, and the variation of the evolutionary time scale is outlined. An indicative agreement of the results obtained here with structural properties of globular clusters as deduced from previous theoretical models is pointed out. (Auth.)

  10. Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network

    Science.gov (United States)

    Zidek, Jan; Milchev, Andrey; Vilgis, Thomas A.

    2012-12-01

    Using a molecular dynamics simulation, we study the thermo-mechanical behavior of a model hydrogel subject to deformation and change in temperature. The model is found to describe qualitatively poly-lactide-glycolide hydrogels in which acrylic acid (AA)-groups are believed to play the role of quasi-mobile nodes in the formation of a network. From our extensive analysis of the structure, formation, and disintegration of the AA-groups, we are able to elucidate the relationship between structure and viscous-elastic behavior of the model hydrogel. Thus, in qualitative agreement with observations, we find a softening of the mechanical response at large deformations, which is enhanced by growing temperature. Several observables as the non-affinity parameter A and the network rearrangement parameter V indicate the existence of a (temperature-dependent) threshold degree of deformation beyond which the quasi-elastic response of the model system turns over into plastic (ductile) one. The critical stretching when the affinity of the deformation is lost can be clearly located in terms of A and V as well as by analysis of the energy density of the system. The observed stress-strain relationship matches that of known experimental systems.

  11. On the shell model connection of the cluster model

    International Nuclear Information System (INIS)

    Cseh, J.; Levai, G.; Kato, K.

    2000-01-01

    Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known, but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model, in which not only the cluster model space is obtained from the full shell model space by an SU(3) symmetry-dictated truncation, but SU(3) dynamically symmetric interactions are also applied. Actually, Hamiltonians of this kind proved to be successful in describing the gross features of cluster states in a wide energy range. The novel feature of the present work is that we apply exclusively shell model interactions. The energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental

  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. 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

  14. A novel approach to dynamic livelihood clustering

    DEFF Research Database (Denmark)

    Walelign, Solomon Zena; Pouliot, Mariéve; Larsen, Helle Overgaard

    -wave panel dataset from 427 households in three locations of Nepal, we proposed an approach that combines households’ income and assets to identify different livelihood strategy clusters. Based on a Latent Markov Model we identify seven distinct livelihood strategies and analyse households’ movements between...

  15. Microbial community development in a dynamic gut model is reproducible, colon region specific, and selective for Bacteroidetes and Clostridium cluster IX.

    Science.gov (United States)

    Van den Abbeele, Pieter; Grootaert, Charlotte; Marzorati, Massimo; Possemiers, Sam; Verstraete, Willy; Gérard, Philippe; Rabot, Sylvie; Bruneau, Aurélia; El Aidy, Sahar; Derrien, Muriel; Zoetendal, Erwin; Kleerebezem, Michiel; Smidt, Hauke; Van de Wiele, Tom

    2010-08-01

    Dynamic, multicompartment in vitro gastrointestinal simulators are often used to monitor gut microbial dynamics and activity. These reactors need to harbor a microbial community that is stable upon inoculation, colon region specific, and relevant to in vivo conditions. Together with the reproducibility of the colonization process, these criteria are often overlooked when the modulatory properties from different treatments are compared. We therefore investigated the microbial colonization process in two identical simulators of the human intestinal microbial ecosystem (SHIME), simultaneously inoculated with the same human fecal microbiota with a high-resolution phylogenetic microarray: the human intestinal tract chip (HITChip). Following inoculation of the in vitro colon compartments, microbial community composition reached steady state after 2 weeks, whereas 3 weeks were required to reach functional stability. This dynamic colonization process was reproducible in both SHIME units and resulted in highly diverse microbial communities which were colon region specific, with the proximal regions harboring saccharolytic microbes (e.g., Bacteroides spp. and Eubacterium spp.) and the distal regions harboring mucin-degrading microbes (e.g., Akkermansia spp.). Importantly, the shift from an in vivo to an in vitro environment resulted in an increased Bacteroidetes/Firmicutes ratio, whereas Clostridium cluster IX (propionate producers) was enriched compared to clusters IV and XIVa (butyrate producers). This was supported by proportionally higher in vitro propionate concentrations. In conclusion, high-resolution analysis of in vitro-cultured gut microbiota offers new insight on the microbial colonization process and indicates the importance of digestive parameters that may be crucial in the development of new in vitro models.

  16. Fluctuations, dynamical instabilities and clusterization processes

    International Nuclear Information System (INIS)

    Burgio, G.F.; Chomaz, Ph.; Randrup, J.

    1992-01-01

    Recent progress with regard to the numerical simulation of fluctuations in nuclear dynamics is reported. Cluster formation in unstable nuclear matter is studied within the framework of a Boltzmann-Langevin equation developed to describe large amplitude fluctuations. Through the Fourier analysis of the fluctuating nuclear density in coordinate space, the onset of the clusterization is related to the dispersion relation of harmonic density oscillations. This detailed study on the simple two-dimensional case demonstrates the validity of the general approach. It is also shown, how the inclusion of fluctuations implies a description in terms of ensemble of trajectories and it is discussed why the presence of a stochastic term may cure the intrinsic unpredictability of deterministic theories (such as mean-field approximation) in presence of instabilities and/or chaos. (author) 8 refs., 3 figs

  17. 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.

  18. Lattice dynamics of impurity clusters : application to pairs

    International Nuclear Information System (INIS)

    Chandralekha Devi, N.; Behera, S.N.

    1979-01-01

    A general solution is obtained for the lattice dynamics of a cluster of n-impurity atoms using the double-time Green's function formalism. The cluster is characterized by n-mass defect and m-force constant change parameters. It is shown that this general solution for the Green's function for the n-impurity cluster can also be expressed in terms of the Green's function for the (n-1)-impurity cluster. As an application, the cluster impurity modes for a pair are calculated using the Debye model for the host lattice dynamics. The splitting of the high frequency local modes and nearly zero frequency resonant modes due to pairs show an oscillatory behaviour on varying the distance of separation between the two impurity atoms. These oscillations are most prominent for two similar impurities and get damped for two dissimilar impurities or if one of the impurities produces a force constant change. The predictions of the calculation provide qualitative explanation of the data obtained from the infrared measurements of the resonant modes in mixed crystal system of KBrsub(1-c)Clsub(c):Lisup(+) and KBrsub(1-c)Isub(c):Lisup(+). (author)

  19. Dynamically Allocated Virtual Clustering Management System Users Guide

    Science.gov (United States)

    2016-11-01

    ARL-SR-0366 ● NOV 2016 US Army Research Laboratory Dynamically Allocated Virtual Clustering Management System User’s Guide by... Clustering Management System User’s Guide by Kelvin M Marcus Computational and Information Sciences Directorate, ARL...

  20. Quark cluster model and confinement

    International Nuclear Information System (INIS)

    Koike, Yuji; Yazaki, Koichi

    2000-01-01

    How confinement of quarks is implemented for multi-hadron systems in the quark cluster model is reviewed. In order to learn the nature of the confining interaction for fermions we first study 1+1 dimensional QED and QCD, in which the gauge field can be eliminated exactly and generates linear interaction of fermions. Then, we compare the two-body potential model, the flip-flop model and the Born-Oppenheimer approach in the strong coupling lattice QCD for the meson-meson system. Having shown how the long-range attraction between hadrons, van der Waals interaction, shows up in the two-body potential model, we discuss two distinct attempts beyond the two-body potential model: one is a many-body potential model, the flip-flop model, and the other is the Born-Oppenheimer approach in the strong coupling lattice QCD. We explain how the emergence of the long-range attraction is avoided in these attempts. Finally, we present the results of the application of the flip-flop model to the baryon-baryon scattering in the quark cluster model. (author)

  1. Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

    Directory of Open Access Journals (Sweden)

    Renata De Paris

    2015-01-01

    Full Text Available Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

  2. Test computations on the dynamical evolution of star clusters. [Fluid dynamic method

    Energy Technology Data Exchange (ETDEWEB)

    Angeletti, L; Giannone, P. (Rome Univ. (Italy))

    1977-01-01

    Test calculations have been carried out on the evolution of star clusters using the fluid-dynamical method devised by Larson (1970). Large systems of stars have been considered with specific concern with globular clusters. With reference to the analogous 'standard' model by Larson, the influence of varying in turn the various free parameters (cluster mass, star mass, tidal radius, mass concentration of the initial model) has been studied for the results. Furthermore, the partial release of some simplifying assumptions with regard to the relaxation time and distribution of the 'target' stars has been considered. The change of the structural properties is discussed, and the variation of the evolutionary time scale is outlined. An indicative agreement of the results obtained here with structural properties of globular clusters as deduced from previous theoretical models is pointed out.

  3. Structure and dynamics of molecular clusters. 2. Melting and freezing of CCl4 clusters

    International Nuclear Information System (INIS)

    Bartell, L.S.; Chen, Jian

    1992-01-01

    Phase transitions of a 225-molecule cluster of carbon tetrachloride have been studied by a molecular dynamics simulation. A five-site model potential function was developed to reproduce the density and heat of vaporization of the bulk liquid. Computations began with orientationally disordered molecules distributed in fcc lattice sites of a nearly spherical cluster. The cluster was heated from a low temperature to 200 K in 10-deg steps of 50 ps each and then cooled to 10 K. Translational and rotational transitions were monitored by following several indicators including the translational and rotational diffusion and rotational entropies of individual molecules. Melting began at the surface and propagated inward as the temperature increased. Solidification of the molten cluster proceeded from the center to the surface. At the high cooling rate of the simulation, however, molecules were unable to organize into a crystalline array and solidified into a glassy structure instead. Except for spatial order, the indicators of degree of liquefaction exhibited almost the same temperature dependence in the crystsl → liquid as in the liquid → glass transition, a behavior that could be rationalized on the basis of Lindemann's theory of melting. Results were compared with predictions of an illustrative model due to Reiss, Mirabel, and Whetten. Qualitatively, the model included all of the features of the simulation. Quantitatively, the model grossly underestimated the range over which the melting transition took place. 40 refs., 10 figs., 1 tab

  4. On the shell-model-connection of the cluster model

    International Nuclear Information System (INIS)

    Cseh, J.

    2000-01-01

    Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago [1] as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known [2] but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model [3,4] in order to find an answer to this question, which seems to be affirmative. In particular, the energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental values. The present results show that the simple and transparent SU(3) connection between the spherical shell model and the cluster model is valid not only for the harmonic oscillator interactions, but for much more general (SU(3) dynamically symmetric) Hamiltonians as well, which result in realistic energy spectra. Via

  5. Parameters of oscillation generation regions in open star cluster models

    Science.gov (United States)

    Danilov, V. M.; Putkov, S. I.

    2017-07-01

    We determine the masses and radii of central regions of open star cluster (OCL) models with small or zero entropy production and estimate the masses of oscillation generation regions in clustermodels based on the data of the phase-space coordinates of stars. The radii of such regions are close to the core radii of the OCL models. We develop a new method for estimating the total OCL masses based on the cluster core mass, the cluster and cluster core radii, and radial distribution of stars. This method yields estimates of dynamical masses of Pleiades, Praesepe, and M67, which agree well with the estimates of the total masses of the corresponding clusters based on proper motions and spectroscopic data for cluster stars.We construct the spectra and dispersion curves of the oscillations of the field of azimuthal velocities v φ in OCL models. Weak, low-amplitude unstable oscillations of v φ develop in cluster models near the cluster core boundary, and weak damped oscillations of v φ often develop at frequencies close to the frequencies of more powerful oscillations, which may reduce the non-stationarity degree in OCL models. We determine the number and parameters of such oscillations near the cores boundaries of cluster models. Such oscillations points to the possible role that gradient instability near the core of cluster models plays in the decrease of the mass of the oscillation generation regions and production of entropy in the cores of OCL models with massive extended cores.

  6. FORMATION OF A INNOVATION REGIONAL CLUSTER MODEL

    Directory of Open Access Journals (Sweden)

    G. S. Merzlikina

    2015-01-01

    Full Text Available Summary. As a result of investigation of science and methodical approaches related problems of building and development of innovation clusters there were some issues in functional assignments of innovation and production clusters. Because of those issues, article’s authors differ conceptions of innovation cluster and production cluster, as they explain notion of innovation-production cluster. The main goal of this article is to reveal existing organizational issues in cluster building and its successful development. Based on regional clusters building analysis carried out there was typical practical structure of cluster members interaction revealed. This structure also have its cons, as following: absence cluster orientation to marketing environment, lack of members’ prolonged relations’ building and development system, along with ineffective management of information, financial and material streams within cluster, narrow competence difference and responsibility zones between cluster members, lack of transparence of cluster’s action, low environment changes adaptivity, hard to use cluster members’ intellectual property, and commercialization of hi-tech products. When all those issues listed above come together, it reduces life activity of existing models of innovative cluster-building along with practical opportunity of cluster realization. Because of that, authors offer an upgraded innovative-productive cluster building model with more efficient business processes management system, which includes advanced innovative cluster structure, competence matrix and subcluster responsibility zone. Suggested model differs from other ones by using unified innovative product development control center, which also controls production and marketing realization.

  7. The affective discourse dynamics of metaphor clustering The affective discourse dynamics of metaphor clustering

    Directory of Open Access Journals (Sweden)

    Lynne Cameron

    2010-05-01

    Full Text Available

    Metaphor is examined in the very different iscourse contexts of the classroom and of reconciliation talk to highlight the neglected affective dimension. The distribution of metaphors across discourse shows clustering at certain points, often where speakers are engaged in critical interpersonal discourse activity. Clusters in classroom talk co-occur with sequences of agenda management where teachers prepare students for upcoming lessons and with giving feedback to students, both of which require careful management of interpersonal and affective issues. Clusters in reconciliation talk co-occur with discourse management and with two situations with significant affective dynamics: appropriation of metaphor and exploration of alternative scenarios.

    Metaphor is examined in the very different iscourse contexts of the classroom and of reconciliation talk to highlight the neglected affective dimension. The distribution of metaphors across discourse shows clustering at certain points, often where speakers are engaged in critical interpersonal discourse activity. Clusters in classroom talk co-occur with sequences of agenda management where teachers prepare students for upcoming lessons and with giving feedback to students, both of which require careful management of interpersonal and affective issues. Clusters in reconciliation talk co-occur with discourse management and with two situations with significant affective dynamics: appropriation of metaphor and exploration of alternative scenarios.

  8. Properties of liquid clusters in large-scale molecular dynamics nucleation simulations

    International Nuclear Information System (INIS)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu

    2014-01-01

    We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates

  9. Simulating star clusters with the AMUSE software framework. I. Dependence of cluster lifetimes on model assumptions and cluster dissolution modes

    International Nuclear Information System (INIS)

    Whitehead, Alfred J.; McMillan, Stephen L. W.; Vesperini, Enrico; Portegies Zwart, Simon

    2013-01-01

    We perform a series of simulations of evolving star clusters using the Astrophysical Multipurpose Software Environment (AMUSE), a new community-based multi-physics simulation package, and compare our results to existing work. These simulations model a star cluster beginning with a King model distribution and a selection of power-law initial mass functions and contain a tidal cutoff. They are evolved using collisional stellar dynamics and include mass loss due to stellar evolution. After studying and understanding that the differences between AMUSE results and results from previous studies are understood, we explored the variation in cluster lifetimes due to the random realization noise introduced by transforming a King model to specific initial conditions. This random realization noise can affect the lifetime of a simulated star cluster by up to 30%. Two modes of star cluster dissolution were identified: a mass evolution curve that contains a runaway cluster dissolution with a sudden loss of mass, and a dissolution mode that does not contain this feature. We refer to these dissolution modes as 'dynamical' and 'relaxation' dominated, respectively. For Salpeter-like initial mass functions, we determined the boundary between these two modes in terms of the dynamical and relaxation timescales.

  10. Dynamical evolution of star clusters with a changing gravitational constant

    International Nuclear Information System (INIS)

    Angeletti, L.; Giannone, P.

    1978-01-01

    The dynamical evolution of massive star clusters was studied, taking into account variations with time of the gravitional constant. The rates of change of G were adopted according to theoretical and observational indications. Various conditions concerning the number of star groups, star masses, mass loss from stars, and initial star concentration were tested for the clusters. The comparison with analogous evolutionary sequences computed with a constant value of G showed that the effects of changes of G may be conspicuous. The analytical dependence of basic structural functions on the law of variation of G with time was determined from the numerical results. They allow an estimate of the consequences of G in a large range of cases. The effects of a decrease of G tended to prevent the formation of dense cores, which is a specific feature of the evolution of 'standard' models of star clusters. The expansion of the whole cluster structure was noteworthy. However, there was not a significant increase of escape of stars from cluster compared with the cases computed with constant G. Although detailed comparison with observations was beyond our present aims, it appears that a varaition of G according to the Brans-Dicke theory is not in conflict with observational data, as is the case for an exponential decrease of G consistent with Van Flandern's result. (orig.) [de

  11. Spectral Clustering Predicts Tumor Tissue Heterogeneity Using Dynamic 18F-FDG PET: A Complement to the Standard Compartmental Modeling Approach.

    Science.gov (United States)

    Katiyar, Prateek; Divine, Mathew R; Kohlhofer, Ursula; Quintanilla-Martinez, Leticia; Schölkopf, Bernhard; Pichler, Bernd J; Disselhorst, Jonathan A

    2017-04-01

    In this study, we described and validated an unsupervised segmentation algorithm for the assessment of tumor heterogeneity using dynamic 18 F-FDG PET. The aim of our study was to objectively evaluate the proposed method and make comparisons with compartmental modeling parametric maps and SUV segmentations using simulations of clinically relevant tumor tissue types. Methods: An irreversible 2-tissue-compartmental model was implemented to simulate clinical and preclinical 18 F-FDG PET time-activity curves using population-based arterial input functions (80 clinical and 12 preclinical) and the kinetic parameter values of 3 tumor tissue types. The simulated time-activity curves were corrupted with different levels of noise and used to calculate the tissue-type misclassification errors of spectral clustering (SC), parametric maps, and SUV segmentation. The utility of the inverse noise variance- and Laplacian score-derived frame weighting schemes before SC was also investigated. Finally, the SC scheme with the best results was tested on a dynamic 18 F-FDG measurement of a mouse bearing subcutaneous colon cancer and validated using histology. Results: In the preclinical setup, the inverse noise variance-weighted SC exhibited the lowest misclassification errors (8.09%-28.53%) at all noise levels in contrast to the Laplacian score-weighted SC (16.12%-31.23%), unweighted SC (25.73%-40.03%), parametric maps (28.02%-61.45%), and SUV (45.49%-45.63%) segmentation. The classification efficacy of both weighted SC schemes in the clinical case was comparable to the unweighted SC. When applied to the dynamic 18 F-FDG measurement of colon cancer, the proposed algorithm accurately identified densely vascularized regions from the rest of the tumor. In addition, the segmented regions and clusterwise average time-activity curves showed excellent correlation with the tumor histology. Conclusion: The promising results of SC mark its position as a robust tool for quantification of tumor

  12. THE DYNAMICAL EVOLUTION OF STELLAR BLACK HOLES IN GLOBULAR CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Morscher, Meagan; Pattabiraman, Bharath; Rodriguez, Carl; Rasio, Frederic A.; Umbreit, Stefan, E-mail: m.morscher@u.northwestern.edu [Center for Interdisciplinary Exploration and Research in Astrophysics (CIERA), Northwestern University, Evanston, IL (United States)

    2015-02-10

    Our current understanding of the stellar initial mass function and massive star evolution suggests that young globular clusters (GCs) may have formed hundreds to thousands of stellar-mass black holes (BHs), the remnants of stars with initial masses from ∼20-100 M {sub ☉}. Birth kicks from supernova explosions may eject some BHs from their birth clusters, but most should be retained. Using a Monte Carlo method we investigate the long-term dynamical evolution of GCs containing large numbers of stellar BHs. We describe numerical results for 42 models, covering a broad range of realistic initial conditions, including up to 1.6 × 10{sup 6} stars. In almost all models we find that significant numbers of BHs (up to ∼10{sup 3}) are retained all the way to the present. This is in contrast to previous theoretical expectations that most BHs should be ejected dynamically within a few gigayears The main reason for this difference is that core collapse driven by BHs (through the Spitzer {sup m}ass segregation instability{sup )} is easily reverted through three-body processes, and involves only a small number of the most massive BHs, while lower-mass BHs remain well-mixed with ordinary stars far from the central cusp. Thus the rapid segregation of stellar BHs does not lead to a long-term physical separation of most BHs into a dynamically decoupled inner core, as often assumed previously. Combined with the recent detections of several BH X-ray binary candidates in Galactic GCs, our results suggest that stellar BHs could still be present in large numbers in many GCs today, and that they may play a significant role in shaping the long-term dynamical evolution and the present-day dynamical structure of many clusters.

  13. Co-clustering models, algorithms and applications

    CERN Document Server

    Govaert, Gérard

    2013-01-01

    Cluster or co-cluster analyses are important tools in a variety of scientific areas. The introduction of this book presents a state of the art of already well-established, as well as more recent methods of co-clustering. The authors mainly deal with the two-mode partitioning under different approaches, but pay particular attention to a probabilistic approach. Chapter 1 concerns clustering in general and the model-based clustering in particular. The authors briefly review the classical clustering methods and focus on the mixture model. They present and discuss the use of different mixture

  14. 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.

  15. MOCK OBSERVATIONS OF BLUE STRAGGLERS IN GLOBULAR CLUSTER MODELS

    International Nuclear Information System (INIS)

    Sills, Alison; Glebbeek, Evert; Chatterjee, Sourav; Rasio, Frederic A.

    2013-01-01

    We created artificial color-magnitude diagrams of Monte Carlo dynamical models of globular clusters and then used observational methods to determine the number of blue stragglers in those clusters. We compared these blue stragglers to various cluster properties, mimicking work that has been done for blue stragglers in Milky Way globular clusters to determine the dominant formation mechanism(s) of this unusual stellar population. We find that a mass-based prescription for selecting blue stragglers will select approximately twice as many blue stragglers than a selection criterion that was developed for observations of real clusters. However, the two numbers of blue stragglers are well-correlated, so either selection criterion can be used to characterize the blue straggler population of a cluster. We confirm previous results that the simplified prescription for the evolution of a collision or merger product in the BSE code overestimates their lifetimes. We show that our model blue stragglers follow similar trends with cluster properties (core mass, binary fraction, total mass, collision rate) as the true Milky Way blue stragglers as long as we restrict ourselves to model clusters with an initial binary fraction higher than 5%. We also show that, in contrast to earlier work, the number of blue stragglers in the cluster core does have a weak dependence on the collisional parameter Γ in both our models and in Milky Way globular clusters

  16. 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.

  17. 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.

  18. 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.

  19. Role of higher-multipole deformations and noncoplanarity in the decay of the compound nucleus *220Th within the dynamical cluster-decay model

    Science.gov (United States)

    Hemdeep, Chopra, Sahila; Kaur, Arshdeep; Kaushal, Pooja; Gupta, Raj K.

    2018-04-01

    Background: The formation and decay of the *220Th compound nucleus (CN) formed via some entrance channels (16O+204Pb,40Ar+180Hf,48Ca+172Yb,82Se+138Ba ) at near barrier energies has been studied within the dynamical cluster-decay model (DCM) [Hemdeep et al. Phys. Rev. C 95, 014609 (2017), 10.1103/PhysRevC.95.044603], for quadrupole deformations (β2 i) and "optimum" orientations (θopt) of the two nuclei or decay fragments lying in the same plane (coplanar nuclei, Φ =0∘ ). Purpose: We aim to investigate the role of higher-multipole deformations, the octupole (β3 i) and hexadecupole (β4 i), and "compact" orientations (θc i) together with the noncoplanarity degree of freedom (Φc) in the noncompound nucleus (nCN) cross section, already observed in the above mentioned study with quadrupole deformations (β2 i) alone, the Φ =0∘ case. Methods: The dynamical cluster-decay model (DCM), based on the quantum mechanical fragmentation theory (QMFT), is used to analyze the decay channel cross sections σx n for various experimentally studied entrance channels. The parameter Ra (equivalently, the neck length Δ R in Ra=R1+R2+Δ R ), which fixes both the preformation and penetration paths, is used to best fit both unobserved (1 n ,2 n ) and observed (3 n -5 n ) decay channel cross sections, keeping the root-mean-square (r.m.s) deviation to the minimum, which allows us to predict the nCN effects, if any, and fusion-fission (ff) cross sections in various reactions at different CN excitation energies E*. Results: For the decay of CN *220Th, the mass fragmentation potential V (Ai ) and preformation yields P0( Ai ) show an asymmetric fission mass distribution, in agreement with one observed in experiments, independent of adding or not adding (β3 i,β4 i ), and irrespective of large changes (by 36° and 34°), respectively, in "compact" orientations θc i and noncoplanarity Φc, and also in the potential energy surface V (Ai ) in light mass (1 n -5 n ) decays. Whereas the 3 n

  20. Observations and Modeling of Merging Galaxy Clusters

    Science.gov (United States)

    Golovich, Nathan Ryan

    Context: Galaxy clusters grow hierarchically with continuous accretion bookended by major merging events that release immense gravitational potential energy (as much as ˜1065 erg). This energy creates an environment for rich astrophysics. Precise measurements of the dark matter halo, intracluster medium, and galaxy population have resulted in a number of important results including dark matter constraints and explanations of the generation of cosmic rays. However, since the timescale of major mergers (˜several Gyr) relegates observations of individual systems to mere snapshots, these results are difficult to understand under a consistent dynamical framework. While computationally expensive simulations are vital in this regard, the vastness of parameter space has necessitated simulations of idealized mergers that are unlikely to capture the full richness. Merger speeds, geometries, and timescales each have a profound consequential effect, but even these simple dynamical properties of the mergers are often poorly understood. A method to identify and constrain the best systems for probing the rich astrophysics of merging clusters is needed. Such a method could then be utilized to prioritize observational follow up and best inform proper exploration of dynamical phase space. Task: In order to identify and model a large number of systems, in this dissertation, we compile an ensemble of major mergers each containing radio relics. We then complete a pan-chromatic study of these 29 systems including wide field optical photometry, targeted optical spectroscopy of member galaxies, radio, and X-ray observations. We use the optical observations to model the galaxy substructure and estimate line of sight motion. In conjunction with the radio and X-ray data, these substructure models helped elucidate the most likely merger scenario for each system and further constrain the dynamical properties of each system. We demonstrate the power of this technique through detailed analyses

  1. 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.

  2. 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...

  3. Molecular dynamic simulation on boron cluster implantation for shallow junction formation

    International Nuclear Information System (INIS)

    Yuan Li; Yu Min; Li Wei; Ji Huihui; Ren Liming; Zhan Kai; Huang Ru; Zhang Xing; Wang Yangyuan; Zhang Jinyu; Oka, Hideki

    2006-01-01

    Boron cluster ion implantation is a potential technology for shallow junction formation in integrated circuits manufacture. A molecular dynamic method for cluster implantation simulation, aiming at microelectronics application, is presented in this paper. Accurate geometric structures of boron clusters are described by the model, and the H atoms in clusters are included. A potential function taking the form of combining the ZBL and the SW potentials is presented here to model interaction among the atoms in the boron cluster. The impact of these models on cluster implantation simulation is investigated. There are notable impact on dopant distribution and amount of implantation defects with consideration of these models. The simulation on the distributions of B and H are verified by SIMS data

  4. Phase Transitions in Algebraic Cluster Models

    International Nuclear Information System (INIS)

    Yepez-Martinez, H.; Cseh, J.; Hess, P.O.

    2006-01-01

    same, and the states are said to form a (soft) band. The phase-transitions, as well as the persistence of the quasidynamical symmetries in the algebraic models of quadrupole collectivity have extensively been studied. In a recent work [1] we have addressed these questions in relation with another important collectivity of nuclei, i.e. clusterization. Two models were considered, a phenomenological one, containing no Pauli-principle, and a semimicroscopic one, which is based on a microscopically determined model space, being free from the Pauli-forbidden states. The interactions were treated in a phenomenologic and algebraic way in both cases. In this respect the two models have a similar group-structure. We have studied the SU(3) - SO(4) phase transition, related to the description of the relative motion in terms of the vibron model (in its simplest form in the phenomenological model and in a properly truncated form in the semimicroscopic description). The analytical study of the large-N limit of both models shows a first order phase transition. We have carried out numerical calculations as well. Three binary cluster systems were chosen, in which the number of open-shell clusters were zero, one and two, respectively. The numerical studies show that the phase transition is smoothed out for finite N systems, but some fingerprints of it still can be seen. The appearance of the quasidynamical SU(3) symmetry has also been studied, when moving away from the limit of the real SU(3) dynamical symmetry. It turned out that in each case, when there is a real dynamical symmetry in the limiting case (in the sense that a well-defined SU(3) quantum number can be associated to a band), this symmetry survives as quasidynamical symmetry at least up to the critical value of the control parameter. (author)

  5. 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.

  6. Low energy Cu clusters slow deposition on a Fe (001) surface investigated by molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shixu [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Gong, Hengfeng [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Division of Nuclear Materials Science and Engineering, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Chen, Xuanzhi [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Li, Gongping, E-mail: ligp@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Wang, Zhiguang, E-mail: zhgwang@impcas.ac.cn [Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-09-30

    Highlights: • We study the deposition of low energy Cu clusters on Fe (001) surface by molecular dynamics. • The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. • The phenomenon of contact epitaxy of cluster occurred. • The thermal diffusion of cluster atoms was analyzed. - Abstract: The slow deposition of low energy Cu clusters on a Fe (001) surface was investigated by molecular dynamics simulation. A many-body potential based on Finnis–Sinclair model was used to describe the interactions among atoms. Three clusters comprising of 13, 55 and 147 atoms, respectively, were deposited with incident energies ranging from 0.0 to 1.0 eV/atom at various substrate temperatures (0, 300 and 800 K). The rearrangement and the diffusion of cluster can occur, only when the cluster atoms are activated and obtained enough migration energy. The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. In the former, the migration energy originates from the latent heat of binding energy for the soft deposition regime and primarily comes from the incident energy of cluster for the energetic cluster deposition regime. In the latter, the thermal vibration would result in some cluster atoms activated again at medium and high substrate temperatures. Also, the effects of incident energy, cluster size and substrate temperature on the interaction potential energy between cluster and substrate, the final deposition morphology of cluster, the spreading index and the structure parameter of cluster are analyzed.

  7. THE DYNAMICAL STATE OF BRIGHTEST CLUSTER GALAXIES AND THE FORMATION OF CLUSTERS

    International Nuclear Information System (INIS)

    Coziol, R.; Andernach, H.; Caretta, C. A.; Alamo-MartInez, K. A.; Tago, E.

    2009-01-01

    A large sample of Abell clusters of galaxies, selected for the likely presence of a dominant galaxy, is used to study the dynamical properties of the brightest cluster members (BCMs). From visual inspection of Digitized Sky Survey images combined with redshift information we identify 1426 candidate BCMs located in 1221 different redshift components associated with 1169 different Abell clusters. This is the largest sample published so far of such galaxies. From our own morphological classification we find that ∼92% of the BCMs in our sample are early-type galaxies and 48% are of cD type. We confirm what was previously observed based on much smaller samples, namely, that a large fraction of BCMs have significant peculiar velocities. From a subsample of 452 clusters having at least 10 measured radial velocities, we estimate a median BCM peculiar velocity of 32% of their host clusters' radial velocity dispersion. This suggests that most BCMs are not at rest in the potential well of their clusters. This phenomenon is common to galaxy clusters in our sample, and not a special trait of clusters hosting cD galaxies. We show that the peculiar velocity of the BCM is independent of cluster richness and only slightly dependent on the Bautz-Morgan type. We also find a weak trend for the peculiar velocity to rise with the cluster velocity dispersion. The strongest dependence is with the morphological type of the BCM: cD galaxies tend to have lower relative peculiar velocities than elliptical galaxies. This result points to a connection between the formation of the BCMs and that of their clusters. Our data are qualitatively consistent with the merging-groups scenario, where BCMs in clusters formed first in smaller subsystems comparable to compact groups of galaxies. In this scenario, clusters would have formed recently from the mergers of many such groups and would still be in a dynamically unrelaxed state.

  8. 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.

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

    DEFF Research Database (Denmark)

    Zhao, Zhuoli; Yang, Ping; Wang, Yuewu

    2018-01-01

    -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...... microgrid and interconnected microgrids. In order to enhance system stability of the PV microgrid clusters, a tie-line flow and stabilization strategy is proposed to suppress the introduced interarea and local oscillations. Robustly selecting of the key control parameters is transformed to a multiobjective......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...

  10. The Dynamics of Technical and Business Knowledge Networks in Industrial Clusters: Embeddedness, status or proximity?

    NARCIS (Netherlands)

    Balland, Pierre-Alexandre; Belso-Martinez, Jose-Antonio; Morrison, Andrea

    2016-01-01

    Although informal knowledge networks have often been regarded as a key ingredient behind the success of industrial clusters, the forces that shape their structure and dynamics remain largely unknown. Drawing on recent network dynamic models, we analyze the evolution of business and technical

  11. Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations

    Energy Technology Data Exchange (ETDEWEB)

    Lekka, Ch.E.; Bokas, G.B. [University of Ioannina, Department of Materials Science and Engineering, Ioannina 45100 (Greece); Almyras, G.A. [University of Ioannina, Department of Physics, Ioannina 45110 (Greece); Papageorgiou, D.G. [University of Ioannina, Department of Materials Science and Engineering, Ioannina 45100 (Greece); Evangelakis, G.A., E-mail: gevagel@cc.uoi.gr [University of Ioannina, Department of Physics, Ioannina 45110 (Greece)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Cu-Zr MGs consist of interpenetrating ICO-like clusters (superclusters (SCs)). Black-Right-Pointing-Pointer The SCs participate in the accommodation of the tensile deformation. Black-Right-Pointing-Pointer The SCs may exhibit a free of bonds (FoB) plane. Black-Right-Pointing-Pointer Al microalloying changes the SCs' electronic structure inducing FoB planes. Black-Right-Pointing-Pointer Control of SCs' electronic structure may lead to control of MGs' properties. - Abstract: We present results on the microstructure of Cu-Zr metallic glasses (MGs) at equilibrium and under tensile deformation by means of large scale molecular dynamics (MD) simulations and density functional theory (DFT) calculations. We found that the MGs are composed by interpenetrating icosahedral-like (ICO) clusters forming superclusters (SCs). The deformation accommodation is associated with the destruction and recreation of these ICO clusters and SCs. DFT calculations on the Cu{sub 13}Zr{sub 10} SCs with Cu-Cu core atoms revealed the presence of a free of bonds (FoB) plane that could be viewed as analog of a slip plane of the crystalline materials. The microalloying (MA) effect in a similar SC (one of the core atoms substituted by Al) yielded that Al is associated with the formation of a FoB plane. These results provide possible explanations of the experimental findings referring to the short range order, the MA effect and could potentially be used for the design of new MGs.

  12. The merging cluster Abell 1758: an optical and dynamical view

    Science.gov (United States)

    Monteiro-Oliveira, Rogerio; Serra Cypriano, Eduardo; Machado, Rubens; Lima Neto, Gastao B.

    2015-08-01

    The galaxy cluster Abell 1758-North (z=0.28) is a binary system composed by the sub-structures NW and NE. This is supposed to be a post-merging cluster due to observed detachment between the NE BCG and the respective X-ray emitting hot gas clump in a scenario very close to the famous Bullet Cluster. On the other hand, the projected position of the NW BCG coincides with the local hot gas peak. This system was been targeted previously by several studies, using multiple wavelengths and techniques, but there is still no clear picture of the scenario that could have caused this unusual configuration. To help solving this complex puzzle we added some pieces: firstly, we have used deep B, RC and z' Subaru images to perform both weak lensing shear and magnification analysis of A1758 (including here the South component that is not in interaction with A1758-North) modeling each sub-clump as an NFW profile in order to constrain masses and its center positions through MCMC methods; the second piece is the dynamical analysis using radial velocities available in the literature (143) plus new Gemini-GMOS/N measurements (68 new redshifts).From weak lensing we found that independent shear and magnification mass determinations are in excellent agreement between them and combining both we could reduce mass error bar by ~30% compared to shear alone. By combining this two weak-lensing probes we found that the position of both Northern BCGs are consistent with the masses centers within 2σ and and the NE hot gas peak to be offseted of the respective mass peak (M200=5.5 X 1014 M⊙) with very high significance. The most massive structure is NW (M200=7.95 X 1014 M⊙ ) where we observed no detachment between gas, DM and BCG.We have calculated a low line-of-sight velocity difference (plane of collision and the sky (<40 degrees). Dynamic modeling shows that the point of maximum approximation taken place 0.55 Gyr ago, pointing Abell 1758-North as a young merger cluster.

  13. 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...

  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. From clusters to biomolecules: electric dipole, structure and dynamics

    International Nuclear Information System (INIS)

    Broyer, M; Antoine, R; Compagnon, I; Rayane, D; Dugourd, P

    2007-01-01

    In this paper, it is demonstrated that the electric dipole of complex molecules or clusters can be measured by beam deviation in an inhomogeneous electric field. This measurement, associated to appropriate theoretical calculations and simulations, allows us to determine the geometry of these systems and their dynamical behaviour as a function of temperature. Selected examples for mixed clusters (metal-fullerene, metal-benzene, salt) and biomolecules (hydrogen bound amino acids and glycine based polypeptides) are discussed

  16. Thermal dynamics of silver clusters grown on rippled silica surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bhatnagar, Mukul, E-mail: mkbh10@gmail.com [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India); Ranjan, Mukesh [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India); Jolley, Kenny; Lloyd, Adam; Smith, Roger [Dept. of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Mukherjee, Subroto [FCIPT, Institute for Plasma Research, Gandhinagar, Gujarat (India); Nirma University, Ahmedabad, Gujarat (India)

    2017-02-15

    Highlights: • Low energy oblique angle ion bombardment forms ripple pattern on silicon surface. • The ripple patterns have wavelengths between 20 and 45 nm and correspondingly low height. • Silver nanoparticles have been deposited at an angle of 70° on patterned silicon templates. • The as-deposited np are annealed in vacuo at temperature of 573 K for a time duration of 1 h. • MD simulation is used to model the process and compare the results to the experiment. • Results show that silver clusters grow preferentially along parallel to the rippled surface. • Mobility of silver atoms depends on the site to which they are bonded on this amorphous surface. • MD simulations show contour ordered coalescence which is dependent on ripple periodicity. - Abstract: Silver nanoparticles have been deposited on silicon rippled patterned templates at an angle of incidence of 70° to the surface normal. The templates are produced by oblique incidence argon ion bombardment and as the fluence increases, the periods and heights of the structures increase. Structures with periods of 20 nm, 35 nm and 45 nm have been produced. Moderate temperature vacuum annealing shows the phenomenon of cluster coalescence following the contour of the more exposed faces of the ripple for the case of 35 nm and 45 nm but not at 20 nm where the silver aggregates into larger randomly distributed clusters. In order to understand this effect, the morphological changes of silver nanoparticles deposited on an asymmetric rippled silica surface are investigated through the use of molecular dynamics simulations for different deposition angles of incidence between 0° and 70° and annealing temperatures between 500 K and 900 K. Near to normal incidence, clusters are observed to migrate over the entire surface but for deposition at 70°, a similar patterning is observed as in the experiment. The random distribution of clusters for the periodicity ≈ of 20 nm is linked to the geometry of the silica

  17. Binary model for the coma cluster of galaxies

    International Nuclear Information System (INIS)

    Valtonen, M.J.; Byrd, G.G.

    1979-01-01

    We study the dynamics of galaxies in the Coma cluster and find that the cluster is probably dominated by a central binary of galaxies NGC 4874--NGC4889. We estimate their total mass to be about 3 x 10 14 M/sub sun/ by two independent methods (assuming in Hubble constant of 100 km s -1 Mpc -1 ). This binary is efficient in dynamically ejecting smaller galaxies, some of of which are seen in projection against the inner 3 0 radius of the cluster and which, if erroneously considered as bound members, cause a serious overestimate of the mass of the entire cluster. Taking account of the ejected galaxies, we estimate the total cluster mass to be 4--9 x 10 14 M/sub sun/, with a corresponding mass-to-light ratio for a typical galaxy in the range of 20--120 solar units. The origin of the secondary maximum observed in the radial surface density profile is studied. We consider it to be a remnant of a shell of galaxies which formed around the central binary. This shell expanded, then collapsed into the binary, and is now reexpanding. This is supported by the coincidence of the minimum in the cluster eccentricity and radical velocity dispersion at the same radial distance as the secondary maximum. Numerical simulations of a cluster model with a massive central binary and a spherical shell of test particles are performed, and they reproduce the observed shape, galaxy density, and radial velocity distributions in the Coma cluster fairly well. Consequences of extending the model to other clusters are discussed

  18. Neutron rich clusters and the dynamics of fission and fusion

    International Nuclear Information System (INIS)

    Armbruster, P.

    1988-07-01

    In this lecture I want to discuss experimental evidence for the appearance of cluster aspects in the dynamics of large rearrangement processes, as fusion and fission. Clusters in the sense as used in my lecture are the strongly bound doubly magic nuclei as 20 Ca 28 48 , 28 Ni 50 78 , 132 50 Sn 82 , and 208 82 Pb 126 and the superheavy nucleus 298 114 184 . Two of these nuclei, 78 Ni and 298 114 have not yet been identified. I discuss first the experimental findings from heavy element production. Then I cover the stability of cluster aspects to intrinsic excitation energy in fusion and fission. (orig./HSI)

  19. 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...... transition was investigated, and a number of properties, such as melting temperature, latent heat of melting, and premelting phenomena, were found to vary with cluster size. These properties were also found to depend on the structure of the solid phase. In this phase the configuration of lowest free energy...

  20. 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.

  1. The Dynamical Properties of Virgo Cluster Disk Galaxies

    Science.gov (United States)

    Ouellette, N. N. Q.; Courteau, S.; Holtzman, J. A.; Dalcanton, J. J.; McDonald, M.; Zhu, Y.

    2014-03-01

    By virtue of its proximity, the Virgo Cluster is an ideal laboratory for testing our understanding of structure formation in the Universe. In this spirit, we present a dynamical study of Virgo galaxies as part of the Spectroscopic and H-band Imaging of Virgo (SHIVir) survey. Hα rotation curves (RC) for our gas-rich galaxies were modeled with a multi-parameter fit function from which various velocity measurements were inferred. Our study takes advantage of archival and our own new data as we aim to compile the largest Tully-Fisher relation (TFR) for a cluster to date. Extended velocity dispersion profiles (VDP) are integrated over varying aperture sizes to extract representative velocity dispersions (VDs) for gas-poor galaxies. Considering the lack of a common standard for the measurement of a fiducial galaxy VD in the literature, we rectify this situation by determining the radius at which the measured VD yields the tightest Fundamental Plane (FP). We found that radius to be at least 1 Re, which exceeds the extent of most dispersion profiles in other works.

  2. Dynamics of {sup 40,48}Ca+{sup 238}U→{sup 278,286}112{sup ⁎} reactions across the Coulomb barrier using dynamical cluster decay model

    Energy Technology Data Exchange (ETDEWEB)

    Sandhu, Kirandeep; Kaur, Gurvinder; Sharma, Manoj K., E-mail: msharma@thapar.edu

    2014-01-15

    The role of deformations and related orientations (optimum or compact) is investigated in reference to dynamics of {sup 40,48}Ca+{sup 238}U→{sup 278,286}112{sup ⁎} reactions using dynamical cluster decay model (DCM). The use of quadrupole and hexadecapole deformations in the decay of compound system suggest that the degree of compactness changes with addition of higher order deformations. The decay cross-sections are calculated in reference to the available data, including β{sub 2}-static deformations within ‘optimum’ orientation approach. The comparative analysis of spherical, β{sub 2}-static and dynamic alongwith β{sub 4}-static deformations is investigated at comparable center of mass energy of 230 MeV for both nuclei. To address the specific role of optimized orientations in the decay of {sup 278}112{sup ⁎} and {sup 286}112{sup ⁎} nuclei, the calculations are done using equatorial compact and polar elongated orientations. Using hot equatorial collisions, symmetric fission is observed as the dominant decay mode across the barrier, which otherwise becomes asymmetric for cold elongated approach. The calculated cross-sections match nicely with experimental data using hot configuration but the same are overestimated for the use of cold (polar) orientation approach at deep sub-barrier region. This overestimation in the deep sub-barrier region may be associated with the quasi-fission decay channel. The contribution of QF in both {sup 278}112{sup ⁎} and {sup 286}112{sup ⁎} nuclei are predicted through the overestimated cross-sections being more for neutron-deficient {sup 278}112{sup ⁎} nucleus, in agreement with experimental results. Larger barrier modification ΔV{sub B} is observed at sub-barrier energies for both isotopes of Z=112 nucleus. Also the contribution of ΔV{sub B} at lower incident energies is relatively higher for cold elongated polar configuration as compared to hot compact equatorial configuration, causing overestimation of cross

  3. Simulation of the dynamics of laser-cluster interaction

    International Nuclear Information System (INIS)

    Deiss, C.

    2009-01-01

    Ranging in size from a few atoms to several million atoms, clusters form a link between gases and solids. When irradiating clusters with intense femtosecond laser pulses, the production of energetic and highly charged ions, hot electrons, and extreme UV and X-ray photons, gives evidence of a very efficient energy conversion. The size of the system and the multitude of mechanisms at play provide a considerable challenge for the theoretical treatment of the interaction. In this thesis, we have developed a Classical Trajectory Monte Carlo simulation that gives insight into the particle dynamics during the interaction of laser pulses with large argon clusters (with more than 10000 atoms per cluster). Elastic electron-ion scattering, electron-electron scattering, electron-impact ionization and excitation, as well as three-body recombination and Auger decay are included via stochastic events. In a strongly simplified picture, the dynamics of the laser-cluster interaction can be summarized as follows: the intense laser field ionizes the cluster atoms and drives the population of quasi-free electrons. In collision events, further free electrons and high ionic charge states are created. As some electrons leave the cluster, the ions feel a net positive charge, and the cluster ultimately disintegrates in a Coulomb explosion. Even at moderate laser intensities (approx. 10 15 W/cm 2 ), impact ionization produces inner-shell vacancies in the cluster ions that decay by emitting characteristic X-ray radiation. The small population of fast electrons responsible for these ionization events is produced near the cluster poles, where the combination of polarization and charging of the cluster leads to strongly enhanced field strengths. We achieve a good agreement over large parameter ranges between the simulation and X-ray spectroscopy experiments. We also investigate the dependence of X-ray emission on laser intensity, pulse duration and cluster size. We find that in order to

  4. 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.

  5. Modeling dynamic swarms

    KAUST Repository

    Ghanem, Bernard; Ahuja, Narendra

    2013-01-01

    This paper proposes the problem of modeling video sequences of dynamic swarms (DSs). We define a DS as a large layout of stochastically repetitive spatial configurations of dynamic objects (swarm elements) whose motions exhibit local spatiotemporal

  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. Topics in modelling of clustered data

    CERN Document Server

    Aerts, Marc; Ryan, Louise M; Geys, Helena

    2002-01-01

    Many methods for analyzing clustered data exist, all with advantages and limitations in particular applications. Compiled from the contributions of leading specialists in the field, Topics in Modelling of Clustered Data describes the tools and techniques for modelling the clustered data often encountered in medical, biological, environmental, and social science studies. It focuses on providing a comprehensive treatment of marginal, conditional, and random effects models using, among others, likelihood, pseudo-likelihood, and generalized estimating equations methods. The authors motivate and illustrate all aspects of these models in a variety of real applications. They discuss several variations and extensions, including individual-level covariates and combined continuous and discrete outcomes. Flexible modelling with fractional and local polynomials, omnibus lack-of-fit tests, robustification against misspecification, exact, and bootstrap inferential procedures all receive extensive treatment. The application...

  8. A multilevel simultaneous equations model for within-cluster dynamic effects, with an application to reciprocal parent-child and sibling effects.

    Science.gov (United States)

    Steele, Fiona; Rasbash, Jon; Jenkins, Jennifer

    2013-03-01

    There has been substantial interest in the social and health sciences in the reciprocal causal influences that people in close relationships have on one another. Most research has considered reciprocal processes involving only 2 units, although many social relationships of interest occur within a larger group (e.g., families, work groups, peer groups, classrooms). This article presents a general longitudinal multilevel modeling framework for the simultaneous estimation of reciprocal relationships among individuals with unique roles operating in a social group. We use family data for illustrative purposes, but the model is generalizable to any social group in which measurements of individuals in the social group occur over time, individuals have unique roles, and clustering of the data is evident. We allow for the possibility that the outcomes of family members are influenced by a common set of unmeasured family characteristics. The multilevel model we propose allows for residual variation in the outcomes of parents and children at the occasion, individual, and family levels and residual correlation between parents and children due to the unmeasured shared environment, genetic factors, and shared measurement. Another advantage of this method over approaches used in previous family research is it can handle mixed family sizes. The method is illustrated in an analysis of maternal depression and child delinquency using data from the Avon Brothers and Sisters Study. PsycINFO Database Record (c) 2013 APA, all rights reserved.

  9. Dynamic Latent Classification Model

    DEFF Research Database (Denmark)

    Zhong, Shengtong; Martínez, Ana M.; Nielsen, Thomas Dyhre

    as possible. Motivated by this problem setting, we propose a generative model for dynamic classification in continuous domains. At each time point the model can be seen as combining a naive Bayes model with a mixture of factor analyzers (FA). The latent variables of the FA are used to capture the dynamics...

  10. Cluster model in reaction theory

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1979-01-01

    A recent work by Rosenberg on cluster states in reaction theory is reexamined and generalized to include energies above the threshold for breakup into four composite fragments. The problem of elastic scattering between two interacting composite fragments is reduced to an equivalent two-particle problem with an effective potential to be determined by extremum principles. For energies above the threshold for breakup into three or four composite fragments effective few-particle potentials are introduced and the problem is reduced to effective three- and four-particle problems. The equivalent three-particle equation contains effective two- and three-particle potentials. The effective potential in the equivalent four-particle equation has two-, three-, and four-body connected parts and a piece which has two independent two-body connected parts. In the equivalent three-particle problem we show how to include the effect of a weak three-body potential perturbatively. In the equivalent four-body problem an approximate simple calculational scheme is given when one neglects the four-particle potential the effect of which is presumably very small

  11. Ultrafast dynamics of electronically excited molecules and clusters

    International Nuclear Information System (INIS)

    Lietard, Aude

    2014-01-01

    This PhD thesis investigated the ultrafast dynamics of photo-chromic molecules and argon clusters in the gas phase at the femtosecond timescale. Pump-probe experiments are performed in a set-up which associates a versatile pulsed molecular beam coupled to a photoelectron/photoion velocity map imager (VMI) and a time-of-flight mass spectrometer (TOF-MS). Theses pump-probe experiments provides the temporal evolution of the electronic distribution for each system of interest. Besides, a modelization has been performed in order to characterize the density and the velocity distribution in the pulsed beam. Regarding the photo-chromic di-thienyl-ethene molecules, parallel electronic relaxation pathways were observed. This contrasts with the observation of sequential relaxation processes in most molecules studied so far. In the present case, the initial wave packet splits in two parts. One part is driven to the ground state at the femtosecond time scale through a conical intersection, and the second part remains for ps in the excited state and experiences oscillations in a suspended well. This study has shed light into the intrinsic dynamics of the molecules under study and a general relaxation mechanism has been proposed, which applies to the whole family of di-thienyl-ethene molecules whatever the state of matter (gas phase or solution) in which they have been investigated. Concerning argon clusters excited at about 14 eV, two behaviors of different time scale have been observed at different time scales. The first one occurs in the first picoseconds of the dynamics. It corresponds to the electronic relaxation of an excitonic state at a rate of 1 eV.ps -1 . The second phenomenon corresponds to the localization of the exciton on the excimer Ar 2 *. This phenomenon is observed 4-5 ps after the excitation. In this study, we also observed the ejection of excited argon atoms, addressing the lifetime of the delocalized excitonic state. This work provide additional informations

  12. Classical plasma dynamics of Mie-oscillations in atomic clusters

    Science.gov (United States)

    Kull, H.-J.; El-Khawaldeh, A.

    2018-04-01

    Mie plasmons are of basic importance for the absorption of laser light by atomic clusters. In this work we first review the classical Rayleigh-theory of a dielectric sphere in an external electric field and Thomson’s plum-pudding model applied to atomic clusters. Both approaches allow for elementary discussions of Mie oscillations, however, they also indicate deficiencies in describing the damping mechanisms by electrons crossing the cluster surface. Nonlinear oscillator models have been widely studied to gain an understanding of damping and absorption by outer ionization of the cluster. In the present work, we attempt to address the issue of plasmon relaxation in atomic clusters in more detail based on classical particle simulations. In particular, we wish to study the role of thermal motion on plasmon relaxation, thereby extending nonlinear models of collective single-electron motion. Our simulations are particularly adopted to the regime of classical kinetics in weakly coupled plasmas and to cluster sizes extending the Debye-screening length. It will be illustrated how surface scattering leads to the relaxation of Mie oscillations in the presence of thermal motion and of electron spill-out at the cluster surface. This work is intended to give, from a classical perspective, further insight into recent work on plasmon relaxation in quantum plasmas [1].

  13. Equivalent Dynamic Models.

    Science.gov (United States)

    Molenaar, Peter C M

    2017-01-01

    Equivalences of two classes of dynamic models for weakly stationary multivariate time series are discussed: dynamic factor models and autoregressive models. It is shown that exploratory dynamic factor models can be rotated, yielding an infinite set of equivalent solutions for any observed series. It also is shown that dynamic factor models with lagged factor loadings are not equivalent to the currently popular state-space models, and that restriction of attention to the latter type of models may yield invalid results. The known equivalent vector autoregressive model types, standard and structural, are given a new interpretation in which they are conceived of as the extremes of an innovating type of hybrid vector autoregressive models. It is shown that consideration of hybrid models solves many problems, in particular with Granger causality testing.

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

    KAUST Repository

    Schreiber, Martin; Weinzierl, Tobias; Bungartz, Hans-Joachim

    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.

  15. Aerosol cluster impact and break-up: model and implementation

    International Nuclear Information System (INIS)

    Lechman, Jeremy B.

    2010-01-01

    In this report a model for simulating aerosol cluster impact with rigid walls is presented. The model is based on JKR adhesion theory and is implemented as an enhancement to the granular (DEM) package within the LAMMPS code. The theory behind the model is outlined and preliminary results are shown. Modeling the interactions of small particles is relevant to a number of applications (e.g., soils, powders, colloidal suspensions, etc.). Modeling the behavior of aerosol particles during agglomeration and cluster dynamics upon impact with a wall is of particular interest. In this report we describe preliminary efforts to develop and implement physical models for aerosol particle interactions. Future work will consist of deploying these models to simulate aerosol cluster behavior upon impact with a rigid wall for the purpose of developing relationships for impact speed and probability of stick/bounce/break-up as well as to assess the distribution of cluster sizes if break-up occurs. These relationships will be developed consistent with the need for inputs into system-level codes. Section 2 gives background and details on the physical model as well as implementations issues. Section 3 presents some preliminary results which lead to discussion in Section 4 of future plans.

  16. Dynamic Portfolio Strategy Using Clustering Approach.

    Science.gov (United States)

    Ren, Fei; Lu, Ya-Nan; Li, Sai-Ping; Jiang, Xiong-Fei; Zhong, Li-Xin; Qiu, Tian

    2017-01-01

    The problem of portfolio optimization is one of the most important issues in asset management. We here propose a new dynamic portfolio strategy based on the time-varying structures of MST networks in Chinese stock markets, where the market condition is further considered when using the optimal portfolios for investment. A portfolio strategy comprises two stages: First, select the portfolios by choosing central and peripheral stocks in the selection horizon using five topological parameters, namely degree, betweenness centrality, distance on degree criterion, distance on correlation criterion and distance on distance criterion. Second, use the portfolios for investment in the investment horizon. The optimal portfolio is chosen by comparing central and peripheral portfolios under different combinations of market conditions in the selection and investment horizons. Market conditions in our paper are identified by the ratios of the number of trading days with rising index to the total number of trading days, or the sum of the amplitudes of the trading days with rising index to the sum of the amplitudes of the total trading days. We find that central portfolios outperform peripheral portfolios when the market is under a drawup condition, or when the market is stable or drawup in the selection horizon and is under a stable condition in the investment horizon. We also find that peripheral portfolios gain more than central portfolios when the market is stable in the selection horizon and is drawdown in the investment horizon. Empirical tests are carried out based on the optimal portfolio strategy. Among all possible optimal portfolio strategies based on different parameters to select portfolios and different criteria to identify market conditions, 65% of our optimal portfolio strategies outperform the random strategy for the Shanghai A-Share market while the proportion is 70% for the Shenzhen A-Share market.

  17. Dynamic Portfolio Strategy Using Clustering Approach.

    Directory of Open Access Journals (Sweden)

    Fei Ren

    Full Text Available The problem of portfolio optimization is one of the most important issues in asset management. We here propose a new dynamic portfolio strategy based on the time-varying structures of MST networks in Chinese stock markets, where the market condition is further considered when using the optimal portfolios for investment. A portfolio strategy comprises two stages: First, select the portfolios by choosing central and peripheral stocks in the selection horizon using five topological parameters, namely degree, betweenness centrality, distance on degree criterion, distance on correlation criterion and distance on distance criterion. Second, use the portfolios for investment in the investment horizon. The optimal portfolio is chosen by comparing central and peripheral portfolios under different combinations of market conditions in the selection and investment horizons. Market conditions in our paper are identified by the ratios of the number of trading days with rising index to the total number of trading days, or the sum of the amplitudes of the trading days with rising index to the sum of the amplitudes of the total trading days. We find that central portfolios outperform peripheral portfolios when the market is under a drawup condition, or when the market is stable or drawup in the selection horizon and is under a stable condition in the investment horizon. We also find that peripheral portfolios gain more than central portfolios when the market is stable in the selection horizon and is drawdown in the investment horizon. Empirical tests are carried out based on the optimal portfolio strategy. Among all possible optimal portfolio strategies based on different parameters to select portfolios and different criteria to identify market conditions, 65% of our optimal portfolio strategies outperform the random strategy for the Shanghai A-Share market while the proportion is 70% for the Shenzhen A-Share market.

  18. 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.

  19. Nonparametric modeling of dynamic functional connectivity in fmri data

    DEFF Research Database (Denmark)

    Nielsen, Søren Føns Vind; Madsen, Kristoffer H.; Røge, Rasmus

    2015-01-01

    dynamic changes. The existing approaches modeling dynamic connectivity have primarily been based on time-windowing the data and k-means clustering. We propose a nonparametric generative model for dynamic FC in fMRI that does not rely on specifying window lengths and number of dynamic states. Rooted...

  20. High-performance dynamic quantum clustering on graphics processors

    Energy Technology Data Exchange (ETDEWEB)

    Wittek, Peter, E-mail: peterwittek@acm.org [Swedish School of Library and Information Science, University of Boras, Boras (Sweden)

    2013-01-15

    Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up 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.

  1. 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.

  2. Modeling and clustering users with evolving profiles in usage streams

    KAUST Repository

    Zhang, Chongsheng

    2012-09-01

    Today, there is an increasing need of data stream mining technology to discover important patterns on the fly. Existing data stream models and algorithms commonly assume that users\\' records or profiles in data streams will not be updated or revised once they arrive. Nevertheless, in various applications such asWeb usage, the records/profiles of the users can evolve along time. This kind of streaming data evolves in two forms, the streaming of tuples or transactions as in the case of traditional data streams, and more importantly, the evolving of user records/profiles inside the streams. Such data streams bring difficulties on modeling and clustering for exploring users\\' behaviors. In this paper, we propose three models to summarize this kind of data streams, which are the batch model, the Evolving Objects (EO) model and the Dynamic Data Stream (DDS) model. Through creating, updating and deleting user profiles, these models summarize the behaviors of each user as a profile object. Based upon these models, clustering algorithms are employed to discover interesting user groups from the profile objects. We have evaluated all the proposed models on a large real-world data set, showing that the DDS model summarizes the data streams with evolving tuples more efficiently and effectively, and provides better basis for clustering users than the other two models. © 2012 IEEE.

  3. Modeling and clustering users with evolving profiles in usage streams

    KAUST Repository

    Zhang, Chongsheng; Masseglia, Florent; Zhang, Xiangliang

    2012-01-01

    Today, there is an increasing need of data stream mining technology to discover important patterns on the fly. Existing data stream models and algorithms commonly assume that users' records or profiles in data streams will not be updated or revised once they arrive. Nevertheless, in various applications such asWeb usage, the records/profiles of the users can evolve along time. This kind of streaming data evolves in two forms, the streaming of tuples or transactions as in the case of traditional data streams, and more importantly, the evolving of user records/profiles inside the streams. Such data streams bring difficulties on modeling and clustering for exploring users' behaviors. In this paper, we propose three models to summarize this kind of data streams, which are the batch model, the Evolving Objects (EO) model and the Dynamic Data Stream (DDS) model. Through creating, updating and deleting user profiles, these models summarize the behaviors of each user as a profile object. Based upon these models, clustering algorithms are employed to discover interesting user groups from the profile objects. We have evaluated all the proposed models on a large real-world data set, showing that the DDS model summarizes the data streams with evolving tuples more efficiently and effectively, and provides better basis for clustering users than the other two models. © 2012 IEEE.

  4. Evaluating Mixture Modeling for Clustering: Recommendations and Cautions

    Science.gov (United States)

    Steinley, Douglas; Brusco, Michael J.

    2011-01-01

    This article provides a large-scale investigation into several of the properties of mixture-model clustering techniques (also referred to as latent class cluster analysis, latent profile analysis, model-based clustering, probabilistic clustering, Bayesian classification, unsupervised learning, and finite mixture models; see Vermunt & Magdison,…

  5. Dynamical Friction in Multi-component Evolving Globular Clusters

    Science.gov (United States)

    Alessandrini, Emiliano; Lanzoni, Barbara; Miocchi, Paolo; Ciotti, Luca; Ferraro, Francesco R.

    2014-11-01

    We use the Chandrasekhar formalism and direct N-body simulations to study the effect of dynamical friction on a test object only slightly more massive than the field stars, orbiting a spherically symmetric background of particles with a mass spectrum. The main goal is to verify whether the dynamical friction time (t DF) develops a non-monotonic radial dependence that could explain the bimodality of the blue straggler radial distributions observed in globular clusters. In these systems, in fact, relaxation effects lead to a mass and velocity radial segregation of the different mass components, so that mass-spectrum effects on t DF are expected to be dependent on radius. We find that in spite of the presence of different masses, t DF is always a monotonic function of radius, at all evolutionary times and independently of the initial concentration of the simulated cluster. This is because the radial dependence of t DF is largely dominated by the total mass density profile of the background stars (which is monotonically decreasing with radius). Hence, a progressive temporal erosion of the blue straggler star (BSS) population at larger and larger distances from the cluster center remains the simplest and the most likely explanation of the shape of the observed BSS radial distributions, as suggested in previous works. We also confirm the theoretical expectation that approximating a multi-mass globular cluster as made of (averaged) equal-mass stars can lead to significant overestimations of t DF within the half-mass radius.

  6. 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.

  7. Dynamic cluster generation for a fuzzy classifier with ellipsoidal regions.

    Science.gov (United States)

    Abe, S

    1998-01-01

    In this paper, we discuss a fuzzy classifier with ellipsoidal regions that dynamically generates clusters. First, for the data belonging to a class we define a fuzzy rule with an ellipsoidal region. Namely, using the training data for each class, we calculate the center and the covariance matrix of the ellipsoidal region for the class. Then we tune the fuzzy rules, i.e., the slopes of the membership functions, successively until there is no improvement in the recognition rate of the training data. Then if the number of the data belonging to a class that are misclassified into another class exceeds a prescribed number, we define a new cluster to which those data belong and the associated fuzzy rule. Then we tune the newly defined fuzzy rules in the similar way as stated above, fixing the already obtained fuzzy rules. We iterate generation of clusters and tuning of the newly generated fuzzy rules until the number of the data belonging to a class that are misclassified into another class does not exceed the prescribed number. We evaluate our method using thyroid data, Japanese Hiragana data of vehicle license plates, and blood cell data. By dynamic cluster generation, the generalization ability of the classifier is improved and the recognition rate of the fuzzy classifier for the test data is the best among the neural network classifiers and other fuzzy classifiers if there are no discrete input variables.

  8. Modelling baryonic effects on galaxy cluster mass profiles

    Science.gov (United States)

    Shirasaki, Masato; Lau, Erwin T.; Nagai, Daisuke

    2018-06-01

    Gravitational lensing is a powerful probe of the mass distribution of galaxy clusters and cosmology. However, accurate measurements of the cluster mass profiles are limited by uncertainties in cluster astrophysics. In this work, we present a physically motivated model of baryonic effects on the cluster mass profiles, which self-consistently takes into account the impact of baryons on the concentration as well as mass accretion histories of galaxy clusters. We calibrate this model using the Omega500 hydrodynamical cosmological simulations of galaxy clusters with varying baryonic physics. Our model will enable us to simultaneously constrain cluster mass, concentration, and cosmological parameters using stacked weak lensing measurements from upcoming optical cluster surveys.

  9. Modelling Baryonic Effects on Galaxy Cluster Mass Profiles

    Science.gov (United States)

    Shirasaki, Masato; Lau, Erwin T.; Nagai, Daisuke

    2018-03-01

    Gravitational lensing is a powerful probe of the mass distribution of galaxy clusters and cosmology. However, accurate measurements of the cluster mass profiles are limited by uncertainties in cluster astrophysics. In this work, we present a physically motivated model of baryonic effects on the cluster mass profiles, which self-consistently takes into account the impact of baryons on the concentration as well as mass accretion histories of galaxy clusters. We calibrate this model using the Omega500 hydrodynamical cosmological simulations of galaxy clusters with varying baryonic physics. Our model will enable us to simultaneously constrain cluster mass, concentration, and cosmological parameters using stacked weak lensing measurements from upcoming optical cluster surveys.

  10. Rapidity correlations at fixed multiplicity in cluster emission models

    CERN Document Server

    Berger, M C

    1975-01-01

    Rapidity correlations in the central region among hadrons produced in proton-proton collisions of fixed final state multiplicity n at NAL and ISR energies are investigated in a two-step framework in which clusters of hadrons are emitted essentially independently, via a multiperipheral-like model, and decay isotropically. For n>or approximately=/sup 1///sub 2/(n), these semi-inclusive distributions are controlled by the reaction mechanism which dominates production in the central region. Thus, data offer cleaner insight into the properties of this mechanism than can be obtained from fully inclusive spectra. A method of experimental analysis is suggested to facilitate the extraction of new dynamical information. It is shown that the n independence of the magnitude of semi-inclusive correlation functions reflects directly the structure of the internal cluster multiplicity distribution. This conclusion is independent of certain assumptions concerning the form of the single cluster density in rapidity space. (23 r...

  11. 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.

  12. Complex scaling in the cluster model

    International Nuclear Information System (INIS)

    Kruppa, A.T.; Lovas, R.G.; Gyarmati, B.

    1987-01-01

    To find the positions and widths of resonances, a complex scaling of the intercluster relative coordinate is introduced into the resonating-group model. In the generator-coordinate technique used to solve the resonating-group equation the complex scaling requires minor changes in the formulae and code. The finding of the resonances does not need any preliminary guess or explicit reference to any asymptotic prescription. The procedure is applied to the resonances in the relative motion of two ground-state α clusters in 8 Be, but is appropriate for any systems consisting of two clusters. (author) 23 refs.; 5 figs

  13. Cluster infall in the concordance LCDM model

    OpenAIRE

    Pivato, Maximiliano C.; Padilla, Nelson D.; Lambas, Diego G.

    2005-01-01

    We perform statistical analyses of the infall of dark-matter onto clusters in numerical simulations within the concordance LCDM model. By studying the infall profile around clusters of different mass, we find a linear relation between the maximum infall velocity and mass which reach 900km/s for the most massive groups. The maximum infall velocity and the group mass follow a suitable power law fit of the form, V_{inf}^{max} = (M/m_0)^{gamma}. By comparing the measured infall velocity to the li...

  14. Can cluster environment modify the dynamical evolution of spiral galaxies?

    Science.gov (United States)

    Amram, P.; Balkowski, C.; Cayatte, V.; Marcelin, M.; Sullivan, W. T., III

    1993-01-01

    Over the past decade many effects of the cluster environment on member galaxies have been established. These effects are manifest in the amount and distribution of gas in cluster spirals, the luminosity and light distributions within galaxies, and the segregation of morphological types. All these effects could indicate a specific dynamical evolution for galaxies in clusters. Nevertheless, a more direct evidence, such as a different mass distribution for spiral galaxies in clusters and in the field, is not yet clearly established. Indeed, Rubin, Whitmore, and Ford (1988) and Whitmore, Forbes, and Rubin (1988) (referred to as RWF) presented evidence that inner cluster spirals have falling rotation curves, unlike those of outer cluster spirals or the great majority of field spirals. If falling rotation curves exist in centers of clusters, as argued by RWF, it would suggest that dark matter halos were absent from cluster spirals, either because the halos had become stripped by interactions with other galaxies or with an intracluster medium, or because the halos had never formed in the first place. Even if they didn't disagree with RWF, other researchers pointed out that the behaviour of the slope of the rotation curves of spiral galaxies (in Virgo) is not so clear. Amram, using a different sample of spiral galaxies in clusters, found only 10% of declining rotation curves (2 declining vs 17 flat or rising) in opposition to RWF who find about 40% of declining rotation curves in their sample (6 declining vs 10 flat or rising), we will hereafter briefly discuss the Amram data paper and compare it to the results of RWF. We have measured the rotation curves for a sample of 21 spiral galaxies in 5 nearby clusters. These rotation curves have been constructed from detailed two-dimensional maps of each galaxy's velocity field as traced by emission from the Ha line. This complete mapping, combined with the sensitivity of our CFHT 3.60 m. + Perot-Fabry + CCD observations, allows

  15. 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.

  16. Models for Dynamic Applications

    DEFF Research Database (Denmark)

    Sales-Cruz, Mauricio; Morales Rodriguez, Ricardo; Heitzig, Martina

    2011-01-01

    This chapter covers aspects of the dynamic modelling and simulation of several complex operations that include a controlled blending tank, a direct methanol fuel cell that incorporates a multiscale model, a fluidised bed reactor, a standard chemical reactor and finally a polymerisation reactor...... be applied to formulate, analyse and solve these dynamic problems and how in the case of the fuel cell problem the model consists of coupledmeso and micro scale models. It is shown how data flows are handled between the models and how the solution is obtained within the modelling environment....

  17. 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.

  18. 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.

  19. Modeling blue stragglers in young clusters

    International Nuclear Information System (INIS)

    Lu Pin; Deng Licai; Zhang Xiaobin

    2011-01-01

    A grid of binary evolution models are calculated for the study of a blue straggler (BS) population in intermediate age (log Age = 7.85–8.95) star clusters. The BS formation via mass transfer and merging is studied systematically using our models. Both Case A and B close binary evolutionary tracks are calculated for a large range of parameters. The results show that BSs formed via Case B are generally bluer and even more luminous than those produced by Case A. Furthermore, the larger range in orbital separations of Case B models provides a probability of producing more BSs than in Case A. Based on the grid of models, several Monte-Carlo simulations of BS populations in the clusters in the age range are carried out. The results show that BSs formed via different channels populate different areas in the color magnitude diagram (CMD). The locations of BSs in CMD for a number of clusters are compared to our simulations as well. In order to investigate the influence of mass transfer efficiency in the models and simulations, a set of models is also calculated by implementing a constant mass transfer efficiency, β = 0.5, during Roche lobe overflow (Case A binary evolution excluded). The result shows BSs can be formed via mass transfer at any given age in both cases. However, the distributions of the BS populations on CMD are different.

  20. The Dynamical Evolution of Stellar-Mass Black Holes in Dense Star Clusters

    Science.gov (United States)

    Morscher, Maggie

    Globular clusters are gravitationally bound systems containing up to millions of stars, and are found ubiquitously in massive galaxies, including the Milky Way. With densities as high as a million stars per cubic parsec, they are one of the few places in the Universe where stars interact with one another. They therefore provide us with a unique laboratory for studying how gravitational interactions can facilitate the formation of exotic systems, such as X-ray binaries containing black holes, and merging double black hole binaries, which are produced much less efficiently in isolation. While telescopes can provide us with a snapshot of what these dense clusters look like at present, we must rely on detailed numerical simulations to learn about their evolution. These simulations are quite challenging, however, since dense star clusters are described by a complicated set of physical processes occurring on many different length and time scales, including stellar and binary evolution, weak gravitational scattering encounters, strong resonant binary interactions, and tidal stripping by the host galaxy. Until very recently, it was not possible to model the evolution of systems with millions of stars, the actual number contained in the largest clusters, including all the relevant physics required describe these systems accurately. The Northwestern Group's Henon Monte Carlo code, CMC, which has been in development for over a decade, is a powerful tool that can be used to construct detailed evolutionary models of large star clusters. With its recent parallelization, CMC is now capable of addressing a particularly interesting unsolved problem in astrophysics: the dynamical evolution of stellar black holes in dense star clusters. Our current understanding of the stellar initial mass function and massive star evolution suggests that young globular clusters may have formed hundreds to thousands of stellar-mass black holes, the remnants of stars with initial masses from 20 - 100

  1. Dynamic term structure models

    DEFF Research Database (Denmark)

    Andreasen, Martin Møller; Meldrum, Andrew

    This paper studies whether dynamic term structure models for US nominal bond yields should enforce the zero lower bound by a quadratic policy rate or a shadow rate specification. We address the question by estimating quadratic term structure models (QTSMs) and shadow rate models with at most four...

  2. 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.

  3. Mobility of hydrogen-helium clusters in tungsten studied by molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Grigorev, Petr, E-mail: grigorievpit@gmail.com [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol, 2400 (Belgium); Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnologies, and Telecommunications, Peter the Great St.Petersburg Polytechnic University, St. Petersburg (Russian Federation); Terentyev, Dmitry; Bonny, Giovanni [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol, 2400 (Belgium); Zhurkin, Evgeny E. [Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnologies, and Telecommunications, Peter the Great St.Petersburg Polytechnic University, St. Petersburg (Russian Federation); Oost, Guido van [Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Noterdaeme, Jean-Marie [Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Max-Planck-Institut für Plasmaphysik, Garching (Germany)

    2016-06-15

    Tungsten is a primary candidate material for plasma facing components in fusion reactors. Interaction of plasma components with the material is unavoidable and will lead to degradation of the performance and the lifetime of the in-vessel components. In order to gain better understanding the mechanisms driving the material degradation at atomic level, atomistic simulations are employed. In this work we study migration, stability and self-trapping properties of pure helium and mixed helium-hydrogen clusters in tungsten by means of molecular dynamics simulations. We test two versions of an embedded atom model interatomic potential by comparing it with ab initio data regarding the binding properties of He clusters. By analysing the trajectories of the clusters during molecular dynamics simulations at finite temperatures we obtain the diffusion parameters. The results show that the diffusivity of mixed clusters is significantly lower, than that of pure helium clusters. The latter suggest that the formation of mixed clusters during mixed hydrogen helium plasma exposure will affect the helium diffusivity in the material.

  4. Microbial community development in a dynamic gut model is reproducible, colon region specific, and selective for Bacteroidetes and Clostridium cluster IX

    NARCIS (Netherlands)

    Abbeele, van den P.; Grootaert, C.; Marzorati, M.; Possemiers, S.; Verstraete, W.; Gérard, P.; Rabot, S.; Bruneau, A.; Aidy, El S.F.; Derrien, M.M.N.; Zoetendal, E.G.; Kleerebezem, M.; Smidt, H.; Wiele, van der T.

    2010-01-01

    Dynamic, multicompartment in vitro gastrointestinal simulators are often used to monitor gut microbial dynamics and activity. These reactors need to harbor a microbial community that is stable upon inoculation, colon region specific, and relevant to in vivo conditions. Together with the

  5. Evidence for feedback and stellar-dynamically regulated bursty star cluster formation: the case of the Orion Nebula Cluster

    Science.gov (United States)

    Kroupa, Pavel; Jeřábková, Tereza; Dinnbier, František; Beccari, Giacomo; Yan, Zhiqiang

    2018-04-01

    A scenario for the formation of multiple co-eval populations separated in age by about 1 Myr in very young clusters (VYCs, ages less than 10 Myr) and with masses in the range 600-20 000 M⊙ is outlined. It rests upon a converging inflow of molecular gas building up a first population of pre-main sequence stars. The associated just-formed O stars ionise the inflow and suppress star formation in the embedded cluster. However, they typically eject each other out of the embedded cluster within 106 yr, that is before the molecular cloud filament can be ionised entirely. The inflow of molecular gas can then resume forming a second population. This sequence of events can be repeated maximally over the life-time of the molecular cloud (about 10 Myr), but is not likely to be possible in VYCs with mass <300 M⊙, because such populations are not likely to contain an O star. Stellar populations heavier than about 2000 M⊙ are likely to have too many O stars for all of these to eject each other from the embedded cluster before they disperse their natal cloud. VYCs with masses in the range 600-2000 M⊙ are likely to have such multi-age populations, while VYCs with masses in the range 2000-20 000 M⊙ can also be composed solely of co-eval, mono-age populations. More massive VYCs are not likely to host sub-populations with age differences of about 1 Myr. This model is applied to the Orion Nebula Cluster (ONC), in which three well-separated pre-main sequences in the colour-magnitude diagram of the cluster have recently been discovered. The mass-inflow history is constrained using this model and the number of OB stars ejected from each population are estimated for verification using Gaia data. As a further consequence of the proposed model, the three runaway O star systems, AE Aur, μ Col and ι Ori, are considered as significant observational evidence for stellar-dynamical ejections of massive stars from the oldest population in the ONC. Evidence for stellar-dynamical

  6. A cluster dynamics study of fission gases in uranium dioxide

    International Nuclear Information System (INIS)

    Skorek, Richard

    2013-01-01

    During in-pile irradiation of nuclear fuels a lot of rare gases are produced, mainly xenon and krypton. The behaviour of these highly insoluble fission gases may lead to an additional load of the cladding, which may have detrimental safety consequences. For these reasons, fission gas behaviour (diffusion and clustering) has been extensively studied for years.In this work, we present an application of Cluster Dynamics to address the behaviour of fission gases in UO_2 which simultaneously describes changes in rare gas atom and point defect concentrations in addition to the bubble size distribution. This technique, applied to Kr implanted and annealed samples, yields a precise interpretation of the release curves and helps justifying the estimation of the Kr diffusion coefficient, which is a data very difficult to obtain due to the insolubility of the gas. (author) [fr

  7. Space and time dynamical heterogeneity in glassy relaxation. The role of democratic clusters

    International Nuclear Information System (INIS)

    Appignanesi, G A; Rodriguez Fris, J A

    2009-01-01

    In this work we review recent computational advances in the understanding of the relaxation dynamics of supercooled glass-forming liquids. In such a supercooled regime these systems experience a striking dynamical slowing down which can be rationalized in terms of the picture of dynamical heterogeneities, wherein the dynamics can vary by orders of magnitude from one region of the sample to another and where the sizes and timescales of such slowly relaxing regions are expected to increase considerably as the temperature is decreased. We shall focus on the relaxation events at a microscopic level and describe the finding of the collective motions of particles responsible for the dynamical heterogeneities. In so doing, we shall demonstrate that the dynamics in different regions of the system is not only heterogeneous in space but also in time. In particular, we shall be interested in the events relevant to the long-time structural relaxation or α relaxation. In this regard, we shall focus on the discovery of cooperatively relaxing units involving the collective motion of relatively compact clusters of particles, called 'democratic clusters' or d-clusters. These events have been shown to trigger transitions between metabasins of the potential energy landscape (collections of similar configurations or structures) and to consist of the main steps in the α relaxation. Such events emerge in systems quite different in nature such as simple model glass formers and supercooled amorphous water. Additionally, another relevant issue in this context consists in the determination of a link between structure and dynamics. In this context, we describe the relationship between the d-cluster events and the constraints that the local structure poses on the relaxation dynamics, thus revealing their role in reformulating structural constraints. (topical review)

  8. Sparsity enabled cluster reduced-order models for control

    Science.gov (United States)

    Kaiser, Eurika; Morzyński, Marek; Daviller, Guillaume; Kutz, J. Nathan; Brunton, Bingni W.; Brunton, Steven L.

    2018-01-01

    Characterizing and controlling nonlinear, multi-scale phenomena are central goals in science and engineering. Cluster-based reduced-order modeling (CROM) was introduced to exploit the underlying low-dimensional dynamics of complex systems. CROM builds a data-driven discretization of the Perron-Frobenius operator, resulting in a probabilistic model for ensembles of trajectories. A key advantage of CROM is that it embeds nonlinear dynamics in a linear framework, which enables the application of standard linear techniques to the nonlinear system. CROM is typically computed on high-dimensional data; however, access to and computations on this full-state data limit the online implementation of CROM for prediction and control. Here, we address this key challenge by identifying a small subset of critical measurements to learn an efficient CROM, referred to as sparsity-enabled CROM. In particular, we leverage compressive measurements to faithfully embed the cluster geometry and preserve the probabilistic dynamics. Further, we show how to identify fewer optimized sensor locations tailored to a specific problem that outperform random measurements. Both of these sparsity-enabled sensing strategies significantly reduce the burden of data acquisition and processing for low-latency in-time estimation and control. We illustrate this unsupervised learning approach on three different high-dimensional nonlinear dynamical systems from fluids with increasing complexity, with one application in flow control. Sparsity-enabled CROM is a critical facilitator for real-time implementation on high-dimensional systems where full-state information may be inaccessible.

  9. 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.

  10. 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.

  11. 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)

  12. Structure and Dynamics of the Globular Cluster Palomar 13

    Science.gov (United States)

    Bradford, J. D.; Geha, M.; Muñoz, R. R.; Santana, F. A.; Simon, J. D.; Côté, P.; Stetson, P. B.; Kirby, E.; Djorgovski, S. G.

    2011-12-01

    We present Keck/DEIMOS spectroscopy and Canada-France-Hawaii Telescope/MegaCam photometry for the Milky Way globular cluster Palomar 13. We triple the number of spectroscopically confirmed members, including many repeat velocity measurements. Palomar 13 is the only known globular cluster with possible evidence for dark matter, based on a Keck/High Resolution Echelle Spectrometer 21 star velocity dispersion of σ = 2.2 ± 0.4 km s-1. We reproduce this measurement, but demonstrate that it is inflated by unresolved binary stars. For our sample of 61 stars, the velocity dispersion is σ = 0.7+0.6 -0.5 km s-1. Combining our DEIMOS data with literature values, our final velocity dispersion is σ = 0.4+0.4 -0.3 km s-1. We determine a spectroscopic metallicity of [Fe/H] = -1.6 ± 0.1 dex, placing a 1σ upper limit of σ[Fe/H] ~ 0.2 dex on any internal metallicity spread. We determine Palomar 13's total luminosity to be MV = -2.8 ± 0.4, making it among the least luminous known globular clusters. The photometric isophotes are regular out to the half-light radius and mildly irregular outside this radius. The outer surface brightness profile slope is shallower than typical globular clusters (Σvpropr η, η = -2.8 ± 0.3). Thus at large radius, tidal debris is likely affecting the appearance of Palomar 13. Combining our luminosity with the intrinsic velocity dispersion, we find a dynamical mass of M 1/2 = 1.3+2: 7 -1.3 × 103 M ⊙ and a mass-to-light ratio of M/LV = 2.4+5.0 -2.4 M ⊙/L ⊙. Within our measurement errors, the mass-to-light ratio agrees with the theoretical predictions for a single stellar population. We conclude that, while there is some evidence for tidal stripping at large radius, the dynamical mass of Palomar 13 is consistent with its stellar mass and neither significant dark matter, nor extreme tidal heating, is required to explain the cluster dynamics. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a

  13. Dynamic accelerator modeling

    International Nuclear Information System (INIS)

    Nishimura, Hiroshi.

    1993-05-01

    Object-Oriented Programming has been used extensively to model the LBL Advanced Light Source 1.5 GeV electron storage ring. This paper is on the present status of the class library construction with emphasis on a dynamic modeling

  14. Dynamic panel data models

    NARCIS (Netherlands)

    Bun, M.J.G.; Sarafidis, V.

    2013-01-01

    This Chapter reviews the recent literature on dynamic panel data models with a short time span and a large cross-section. Throughout the discussion we considerlinear models with additional endogenous covariates. First we give a broad overview of available inference methods placing emphasis on GMM.

  15. Phase diagram and quench dynamics of the cluster-XY spin chain.

    Science.gov (United States)

    Montes, Sebastián; Hamma, Alioscia

    2012-08-01

    We study the complete phase space and the quench dynamics of an exactly solvable spin chain, the cluster-XY model. In this chain, the cluster term and the XY couplings compete to give a rich phase diagram. The phase diagram is studied by means of the quantum geometric tensor. We study the time evolution of the system after a critical quantum quench using the Loschmidt echo. The structure of the revivals after critical quantum quenches presents a nontrivial behavior depending on the phase of the initial state and the critical point.

  16. 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%.

  17. Dynamical resonance shift and unification of resonances in short-pulse laser-cluster interaction

    Science.gov (United States)

    Mahalik, S. S.; Kundu, M.

    2018-06-01

    Pronounced maximum absorption of laser light irradiating a rare-gas or metal cluster is widely expected during the linear resonance (LR) when Mie-plasma wavelength λM of electrons equals the laser wavelength λ . On the contrary, by performing molecular dynamics (MD) simulations of an argon cluster irradiated by short 5-fs (FWHM) laser pulses it is revealed that, for a given laser pulse energy and a cluster, at each peak intensity there exists a λ —shifted from the expected λM—that corresponds to a unified dynamical LR at which evolution of the cluster happens through very efficient unification of possible resonances in various stages, including (i) the LR in the initial time of plasma creation, (ii) the LR in the Coulomb expanding phase in the later time, and (iii) anharmonic resonance in the marginally overdense regime for a relatively longer pulse duration, leading to maximum laser absorption accompanied by maximum removal of electrons from cluster and also maximum allowed average charge states for the argon cluster. Increasing the laser intensity, the absorption maxima is found to shift to a higher wavelength in the band of λ ≈(1 -1.5 ) λM than permanently staying at the expected λM. A naive rigid sphere model also corroborates the wavelength shift of the absorption peak as found in MD and unequivocally proves that maximum laser absorption in a cluster happens at a shifted λ in the marginally overdense regime of λ ≈(1 -1.5 ) λM instead of λM of LR. The present study is important for guiding an optimal condition laser-cluster interaction experiment in the short-pulse regime.

  18. Shear-driven dynamic clusters in a colloidal glass

    Science.gov (United States)

    Eisenmann, Christoph; Kim, Chanjoong; Mattsson, Johan; Weitz, David

    2007-03-01

    We investigate the effect of shear applied to a colloidal glass on a microscopic level using a shear device that can be mounted on top of a confocal microscope. We find that the glass yields at a critical strain of about 10%, independently of the shear rate. Surprisingly, the yielding is accompanied by an increase of cooperative particle movements and a formation of dynamic clusters which is in contrast to the normal glass transition where one typically finds heterogeneity increasing whilst moving towards the glass transition.

  19. Modeling dynamic swarms

    KAUST Repository

    Ghanem, Bernard

    2013-01-01

    This paper proposes the problem of modeling video sequences of dynamic swarms (DSs). We define a DS as a large layout of stochastically repetitive spatial configurations of dynamic objects (swarm elements) whose motions exhibit local spatiotemporal interdependency and stationarity, i.e., the motions are similar in any small spatiotemporal neighborhood. Examples of DS abound in nature, e.g., herds of animals and flocks of birds. To capture the local spatiotemporal properties of the DS, we present a probabilistic model that learns both the spatial layout of swarm elements (based on low-level image segmentation) and their joint dynamics that are modeled as linear transformations. To this end, a spatiotemporal neighborhood is associated with each swarm element, in which local stationarity is enforced both spatially and temporally. We assume that the prior on the swarm dynamics is distributed according to an MRF in both space and time. Embedding this model in a MAP framework, we iterate between learning the spatial layout of the swarm and its dynamics. We learn the swarm transformations using ICM, which iterates between estimating these transformations and updating their distribution in the spatiotemporal neighborhoods. We demonstrate the validity of our method by conducting experiments on real and synthetic video sequences. Real sequences of birds, geese, robot swarms, and pedestrians evaluate the applicability of our model to real world data. © 2012 Elsevier Inc. All rights reserved.

  20. Statistical clustering of parametric maps from dynamic contrast enhanced MRI and an associated decision tree model for non-invasive tumour grading of T1b solid clear cell renal cell carcinoma

    Energy Technology Data Exchange (ETDEWEB)

    Xi, Yin; Yuan, Qing; Zhang, Yue; Fulkerson, Michael [UT Southwestern Medical Center, Department of Radiology, Dallas, TX (United States); Madhuranthakam, Ananth J. [UT Southwestern Medical Center, Department of Radiology, Dallas, TX (United States); UT Southwestern Medical Center, Advanced Imaging Research Center, Dallas, TX (United States); Margulis, Vitaly; Cadeddu, Jeffrey A. [UT Southwestern Medical Center, Department of Urology, Dallas, TX (United States); UT Southwestern Medical Center, Kidney Cancer Program, Simmons Comprehensive Cancer Center, Dallas, TX (United States); Brugarolas, James [UT Southwestern Medical Center, Kidney Cancer Program, Simmons Comprehensive Cancer Center, Dallas, TX (United States); UT Southwestern Medical Center, Department of Internal Medicine, Dallas, TX (United States); Kapur, Payal [UT Southwestern Medical Center, Department of Urology, Dallas, TX (United States); UT Southwestern Medical Center, Kidney Cancer Program, Simmons Comprehensive Cancer Center, Dallas, TX (United States); UT Southwestern Medical Center, Department of Pathology, Dallas, Texas (United States); Pedrosa, Ivan [UT Southwestern Medical Center, Department of Radiology, Dallas, TX (United States); UT Southwestern Medical Center, Advanced Imaging Research Center, Dallas, TX (United States); UT Southwestern Medical Center, Kidney Cancer Program, Simmons Comprehensive Cancer Center, Dallas, TX (United States)

    2018-01-15

    To apply a statistical clustering algorithm to combine information from dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI) into a single tumour map to distinguish high-grade from low-grade T1b clear cell renal cell carcinoma (ccRCC). This prospective, Institutional Review Board -approved, Health Insurance Portability and Accountability Act -compliant study included 18 patients with solid T1b ccRCC who underwent pre-surgical DCE MRI. After statistical clustering of the parametric maps of the transfer constant between the intravascular and extravascular space (K{sup trans}), rate constant (K{sub ep}) and initial area under the concentration curve (iAUC) with a fuzzy c-means (FCM) algorithm, each tumour was segmented into three regions (low/medium/high active areas). Percentages of each region and tumour size were compared to tumour grade at histopathology. A decision-tree model was constructed to select the best parameter(s) to predict high-grade ccRCC. Seven high-grade and 11 low-grade T1b ccRCCs were included. High-grade histology was associated with higher percent high active areas (p = 0.0154) and this was the only feature selected by the decision tree model, which had a diagnostic performance of 78% accuracy, 86% sensitivity, 73% specificity, 67% positive predictive value and 89% negative predictive value. The FCM integrates multiple DCE-derived parameter maps and identifies tumour regions with unique pharmacokinetic characteristics. Using this approach, a decision tree model using criteria beyond size to predict tumour grade in T1b ccRCCs is proposed. (orig.)

  1. Statistical clustering of parametric maps from dynamic contrast enhanced MRI and an associated decision tree model for non-invasive tumour grading of T1b solid clear cell renal cell carcinoma

    International Nuclear Information System (INIS)

    Xi, Yin; Yuan, Qing; Zhang, Yue; Fulkerson, Michael; Madhuranthakam, Ananth J.; Margulis, Vitaly; Cadeddu, Jeffrey A.; Brugarolas, James; Kapur, Payal; Pedrosa, Ivan

    2018-01-01

    To apply a statistical clustering algorithm to combine information from dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI) into a single tumour map to distinguish high-grade from low-grade T1b clear cell renal cell carcinoma (ccRCC). This prospective, Institutional Review Board -approved, Health Insurance Portability and Accountability Act -compliant study included 18 patients with solid T1b ccRCC who underwent pre-surgical DCE MRI. After statistical clustering of the parametric maps of the transfer constant between the intravascular and extravascular space (K trans ), rate constant (K ep ) and initial area under the concentration curve (iAUC) with a fuzzy c-means (FCM) algorithm, each tumour was segmented into three regions (low/medium/high active areas). Percentages of each region and tumour size were compared to tumour grade at histopathology. A decision-tree model was constructed to select the best parameter(s) to predict high-grade ccRCC. Seven high-grade and 11 low-grade T1b ccRCCs were included. High-grade histology was associated with higher percent high active areas (p = 0.0154) and this was the only feature selected by the decision tree model, which had a diagnostic performance of 78% accuracy, 86% sensitivity, 73% specificity, 67% positive predictive value and 89% negative predictive value. The FCM integrates multiple DCE-derived parameter maps and identifies tumour regions with unique pharmacokinetic characteristics. Using this approach, a decision tree model using criteria beyond size to predict tumour grade in T1b ccRCCs is proposed. (orig.)

  2. Swarm Intelligence for Urban Dynamics Modelling

    International Nuclear Information System (INIS)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gerard H. E.

    2009-01-01

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  3. Swarm Intelligence for Urban Dynamics Modelling

    Science.gov (United States)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gérard H. E.

    2009-04-01

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  4. Statistical mechanics of the cluster Ising model

    International Nuclear Information System (INIS)

    Smacchia, Pietro; Amico, Luigi; Facchi, Paolo; Fazio, Rosario; Florio, Giuseppe; Pascazio, Saverio; Vedral, Vlatko

    2011-01-01

    We study a Hamiltonian system describing a three-spin-1/2 clusterlike interaction competing with an Ising-like antiferromagnetic interaction. We compute free energy, spin-correlation functions, and entanglement both in the ground and in thermal states. The model undergoes a quantum phase transition between an Ising phase with a nonvanishing magnetization and a cluster phase characterized by a string order. Any two-spin entanglement is found to vanish in both quantum phases because of a nontrivial correlation pattern. Nevertheless, the residual multipartite entanglement is maximal in the cluster phase and dependent on the magnetization in the Ising phase. We study the block entropy at the critical point and calculate the central charge of the system, showing that the criticality of the system is beyond the Ising universality class.

  5. Statistical mechanics of the cluster Ising model

    Energy Technology Data Exchange (ETDEWEB)

    Smacchia, Pietro [SISSA - via Bonomea 265, I-34136, Trieste (Italy); Amico, Luigi [CNR-MATIS-IMM and Dipartimento di Fisica e Astronomia Universita di Catania, C/O ed. 10, viale Andrea Doria 6, I-95125 Catania (Italy); Facchi, Paolo [Dipartimento di Matematica and MECENAS, Universita di Bari, I-70125 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Fazio, Rosario [NEST, Scuola Normale Superiore and Istituto Nanoscienze - CNR, 56126 Pisa (Italy); Center for Quantum Technology, National University of Singapore, 117542 Singapore (Singapore); Florio, Giuseppe; Pascazio, Saverio [Dipartimento di Fisica and MECENAS, Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Vedral, Vlatko [Center for Quantum Technology, National University of Singapore, 117542 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Department of Physics, University of Oxford, Clarendon Laboratory, Oxford, OX1 3PU (United Kingdom)

    2011-08-15

    We study a Hamiltonian system describing a three-spin-1/2 clusterlike interaction competing with an Ising-like antiferromagnetic interaction. We compute free energy, spin-correlation functions, and entanglement both in the ground and in thermal states. The model undergoes a quantum phase transition between an Ising phase with a nonvanishing magnetization and a cluster phase characterized by a string order. Any two-spin entanglement is found to vanish in both quantum phases because of a nontrivial correlation pattern. Nevertheless, the residual multipartite entanglement is maximal in the cluster phase and dependent on the magnetization in the Ising phase. We study the block entropy at the critical point and calculate the central charge of the system, showing that the criticality of the system is beyond the Ising universality class.

  6. Modeling Dynamic Regulatory Processes in Stroke

    Science.gov (United States)

    McDermott, Jason E.; Jarman, Kenneth; Taylor, Ronald; Lancaster, Mary; Shankaran, Harish; Vartanian, Keri B.; Stevens, Susan L.; Stenzel-Poore, Mary P.; Sanfilippo, Antonio

    2012-01-01

    The ability to examine the behavior of biological systems in silico has the potential to greatly accelerate the pace of discovery in diseases, such as stroke, where in vivo analysis is time intensive and costly. In this paper we describe an approach for in silico examination of responses of the blood transcriptome to neuroprotective agents and subsequent stroke through the development of dynamic models of the regulatory processes observed in the experimental gene expression data. First, we identified functional gene clusters from these data. Next, we derived ordinary differential equations (ODEs) from the data relating these functional clusters to each other in terms of their regulatory influence on one another. Dynamic models were developed by coupling these ODEs into a model that simulates the expression of regulated functional clusters. By changing the magnitude of gene expression in the initial input state it was possible to assess the behavior of the networks through time under varying conditions since the dynamic model only requires an initial starting state, and does not require measurement of regulatory influences at each time point in order to make accurate predictions. We discuss the implications of our models on neuroprotection in stroke, explore the limitations of the approach, and report that an optimized dynamic model can provide accurate predictions of overall system behavior under several different neuroprotective paradigms. PMID:23071432

  7. Neuro-fuzzy system modeling based on automatic fuzzy clustering

    Institute of Scientific and Technical Information of China (English)

    Yuangang TANG; Fuchun SUN; Zengqi SUN

    2005-01-01

    A neuro-fuzzy system model based on automatic fuzzy clustering is proposed.A hybrid model identification algorithm is also developed to decide the model structure and model parameters.The algorithm mainly includes three parts:1) Automatic fuzzy C-means (AFCM),which is applied to generate fuzzy rules automatically,and then fix on the size of the neuro-fuzzy network,by which the complexity of system design is reducesd greatly at the price of the fitting capability;2) Recursive least square estimation (RLSE).It is used to update the parameters of Takagi-Sugeno model,which is employed to describe the behavior of the system;3) Gradient descent algorithm is also proposed for the fuzzy values according to the back propagation algorithm of neural network.Finally,modeling the dynamical equation of the two-link manipulator with the proposed approach is illustrated to validate the feasibility of the method.

  8. Hierarchical modeling of cluster size in wildlife surveys

    Science.gov (United States)

    Royle, J. Andrew

    2008-01-01

    Clusters or groups of individuals are the fundamental unit of observation in many wildlife sampling problems, including aerial surveys of waterfowl, marine mammals, and ungulates. Explicit accounting of cluster size in models for estimating abundance is necessary because detection of individuals within clusters is not independent and detectability of clusters is likely to increase with cluster size. This induces a cluster size bias in which the average cluster size in the sample is larger than in the population at large. Thus, failure to account for the relationship between delectability and cluster size will tend to yield a positive bias in estimates of abundance or density. I describe a hierarchical modeling framework for accounting for cluster-size bias in animal sampling. The hierarchical model consists of models for the observation process conditional on the cluster size distribution and the cluster size distribution conditional on the total number of clusters. Optionally, a spatial model can be specified that describes variation in the total number of clusters per sample unit. Parameter estimation, model selection, and criticism may be carried out using conventional likelihood-based methods. An extension of the model is described for the situation where measurable covariates at the level of the sample unit are available. Several candidate models within the proposed class are evaluated for aerial survey data on mallard ducks (Anas platyrhynchos).

  9. 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).

  10. 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.

  11. Dynamical history of a binary cluster: Abell 3653

    Science.gov (United States)

    Caglar, Turgay; Hudaverdi, Murat

    2017-12-01

    We study the dynamical structure of a bimodal galaxy cluster Abell 3653 at z = 0.1089 using optical and X-ray data. Observations include archival data from the Anglo-Australian Telescope, X-ray observatories XMM-Newton and Chandra. We draw a global picture for A3653 using galaxy density, X-ray luminosity and temperature maps. The galaxy distribution has a regular morphological shape at the 3 Mpc size. The galaxy density map shows an elongation in the east-west direction, which perfectly aligns with the extended diffuse X-ray emission. We detect two dominant groups around the two brightest cluster galaxies (BCGs). BCG1 (z = 0.1099) can be associated with the main cluster A3653E, and a foreground subcluster A3653W is concentrated at BCG2 (z = 0.1075). Both X-ray peaks are dislocated from the BCGs by ∼35 kpc, which suggest an ongoing merger process. We measure the subcluster gas temperatures of 4.67 and 3.66 keV, respectively. Two-body dynamical analysis shows that A3653E and A3653W are very likely gravitationally bound (93.5 per cent probability). The highly favoured scenario suggests that the two subclusters have a mass ratio of 1.4 and are colliding close to the plane of sky (α = 17.61°) at 2400 km s-1, and will undergo core passage in 380 Myr. The temperature map also significantly shows a shock-heated gas (6.16 keV) between the subclusters, which confirms the supersonic infalling scenario.

  12. 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

  13. Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

    International Nuclear Information System (INIS)

    Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard

    2014-01-01

    Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space

  14. Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

    Energy Technology Data Exchange (ETDEWEB)

    Nedialkova, Lilia V.; Amat, Miguel A. [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Kevrekidis, Ioannis G., E-mail: yannis@princeton.edu, E-mail: gerhard.hummer@biophys.mpg.de [Department of Chemical and Biological Engineering and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544 (United States); Hummer, Gerhard, E-mail: yannis@princeton.edu, E-mail: gerhard.hummer@biophys.mpg.de [Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Str. 3, 60438 Frankfurt am Main (Germany)

    2014-09-21

    Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.

  15. Determining characteristic principal clusters in the “cluster-plus-glue-atom” model

    International Nuclear Information System (INIS)

    Du, Jinglian; Wen, Bin; 2NeT Lab, Wilfrid Laurier University, Waterloo, 75 University Ave West, Ontario N2L 3C5 (Canada))" data-affiliation=" (M2NeT Lab, Wilfrid Laurier University, Waterloo, 75 University Ave West, Ontario N2L 3C5 (Canada))" >Melnik, Roderick; Kawazoe, Yoshiyuki

    2014-01-01

    The “cluster-plus-glue-atom” model can easily describe the structure of complex metallic alloy phases. However, the biggest obstacle limiting the application of this model is that it is difficult to determine the characteristic principal cluster. In the case when interatomic force constants (IFCs) inside the cluster lead to stronger interaction than the interaction between the clusters, a new rule for determining the characteristic principal cluster in the “cluster-plus-glue-atom” model has been proposed on the basis of IFCs. To verify this new rule, the alloy phases in Cu–Zr and Al–Ni–Zr systems have been tested, and our results indicate that the present new rule for determining characteristic principal clusters is effective and reliable

  16. Mass profile and dynamical status of the z ~ 0.8 galaxy cluster LCDCS 0504

    Science.gov (United States)

    Guennou, L.; Biviano, A.; Adami, C.; Limousin, M.; Lima Neto, G. B.; Mamon, G. A.; Ulmer, M. P.; Gavazzi, R.; Cypriano, E. S.; Durret, F.; Clowe, D.; LeBrun, V.; Allam, S.; Basa, S.; Benoist, C.; Cappi, A.; Halliday, C.; Ilbert, O.; Johnston, D.; Jullo, E.; Just, D.; Kubo, J. M.; Márquez, I.; Marshall, P.; Martinet, N.; Maurogordato, S.; Mazure, A.; Murphy, K. J.; Plana, H.; Rostagni, F.; Russeil, D.; Schirmer, M.; Schrabback, T.; Slezak, E.; Tucker, D.; Zaritsky, D.; Ziegler, B.

    2014-06-01

    Context. Constraints on the mass distribution in high-redshift clusters of galaxies are currently not very strong. Aims: We aim to constrain the mass profile, M(r), and dynamical status of the z ~ 0.8 LCDCS 0504 cluster of galaxies that is characterized by prominent giant gravitational arcs near its center. Methods: Our analysis is based on deep X-ray, optical, and infrared imaging as well as optical spectroscopy, collected with various instruments, which we complemented with archival data. We modeled the mass distribution of the cluster with three different mass density profiles, whose parameters were constrained by the strong lensing features of the inner cluster region, by the X-ray emission from the intracluster medium, and by the kinematics of 71 cluster members. Results: We obtain consistent M(r) determinations from three methods based on kinematics (dispersion-kurtosis, caustics, and MAMPOSSt), out to the cluster virial radius, ≃1.3 Mpc and beyond. The mass profile inferred by the strong lensing analysis in the central cluster region is slightly higher than, but still consistent with, the kinematics estimate. On the other hand, the X-ray based M(r) is significantly lower than the kinematics and strong lensing estimates. Theoretical predictions from ΛCDM cosmology for the concentration-mass relation agree with our observational results, when taking into account the uncertainties in the observational and theoretical estimates. There appears to be a central deficit in the intracluster gas mass fraction compared with nearby clusters. Conclusions: Despite the relaxed appearance of this cluster, the determinations of its mass profile by different probes show substantial discrepancies, the origin of which remains to be determined. The extension of a dynamical analysis similar to that of other clusters of the DAFT/FADA survey with multiwavelength data of sufficient quality will allow shedding light on the possible systematics that affect the determination of mass

  17. 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.

  18. Corruption dynamics model

    Science.gov (United States)

    Malafeyev, O. A.; Nemnyugin, S. A.; Rylow, D.; Kolpak, E. P.; Awasthi, Achal

    2017-07-01

    The corruption dynamics is analyzed by means of the lattice model which is similar to the three-dimensional Ising model. Agents placed at nodes of the corrupt network periodically choose to perfom or not to perform the act of corruption at gain or loss while making decisions based on the process history. The gain value and its dynamics are defined by means of the Markov stochastic process modelling with parameters established in accordance with the influence of external and individual factors on the agent's gain. The model is formulated algorithmically and is studied by means of the computer simulation. Numerical results are obtained which demonstrate asymptotic behaviour of the corruption network under various conditions.

  19. Bayesian nonparametric clustering in phylogenetics: modeling antigenic evolution in influenza.

    Science.gov (United States)

    Cybis, Gabriela B; Sinsheimer, Janet S; Bedford, Trevor; Rambaut, Andrew; Lemey, Philippe; Suchard, Marc A

    2018-01-30

    Influenza is responsible for up to 500,000 deaths every year, and antigenic variability represents much of its epidemiological burden. To visualize antigenic differences across many viral strains, antigenic cartography methods use multidimensional scaling on binding assay data to map influenza antigenicity onto a low-dimensional space. Analysis of such assay data ideally leads to natural clustering of influenza strains of similar antigenicity that correlate with sequence evolution. To understand the dynamics of these antigenic groups, we present a framework that jointly models genetic and antigenic evolution by combining multidimensional scaling of binding assay data, Bayesian phylogenetic machinery and nonparametric clustering methods. We propose a phylogenetic Chinese restaurant process that extends the current process to incorporate the phylogenetic dependency structure between strains in the modeling of antigenic clusters. With this method, we are able to use the genetic information to better understand the evolution of antigenicity throughout epidemics, as shown in applications of this model to H1N1 influenza. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  20. 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

  1. Innovation performance and clusters : a dynamic capability perspective on regional technology clusters

    NARCIS (Netherlands)

    Röttmer, Nicole

    2009-01-01

    This research provides a novel, empirically tested, actionable theory of cluster innovativeness. Cluster innovativeness has for long been subject of research and resulting policy efforts. The cluster's endowment with assets, such as specialized labor, firms, research institutes, existing regional

  2. 3.5D dynamic PET image reconstruction incorporating kinetics-based clusters

    International Nuclear Information System (INIS)

    Lu Lijun; Chen Wufan; Karakatsanis, Nicolas A; Rahmim, Arman; Tang Jing

    2012-01-01

    Standard 3D dynamic positron emission tomographic (PET) imaging consists of independent image reconstructions of individual frames followed by application of appropriate kinetic model to the time activity curves at the voxel or region-of-interest (ROI). The emerging field of 4D PET reconstruction, by contrast, seeks to move beyond this scheme and incorporate information from multiple frames within the image reconstruction task. Here we propose a novel reconstruction framework aiming to enhance quantitative accuracy of parametric images via introduction of priors based on voxel kinetics, as generated via clustering of preliminary reconstructed dynamic images to define clustered neighborhoods of voxels with similar kinetics. This is then followed by straightforward maximum a posteriori (MAP) 3D PET reconstruction as applied to individual frames; and as such the method is labeled ‘3.5D’ image reconstruction. The use of cluster-based priors has the advantage of further enhancing quantitative performance in dynamic PET imaging, because: (a) there are typically more voxels in clusters than in conventional local neighborhoods, and (b) neighboring voxels with distinct kinetics are less likely to be clustered together. Using realistic simulated 11 C-raclopride dynamic PET data, the quantitative performance of the proposed method was investigated. Parametric distribution-volume (DV) and DV ratio (DVR) images were estimated from dynamic image reconstructions using (a) maximum-likelihood expectation maximization (MLEM), and MAP reconstructions using (b) the quadratic prior (QP-MAP), (c) the Green prior (GP-MAP) and (d, e) two proposed cluster-based priors (CP-U-MAP and CP-W-MAP), followed by graphical modeling, and were qualitatively and quantitatively compared for 11 ROIs. Overall, the proposed dynamic PET reconstruction methodology resulted in substantial visual as well as quantitative accuracy improvements (in terms of noise versus bias performance) for parametric DV

  3. DYNAMIC LOAD DAMPER MODELING

    Directory of Open Access Journals (Sweden)

    Loktev Aleksey Alekseevich

    2013-01-01

    Full Text Available The authors present their findings associated with their modeling of a dynamic load damper. According to the authors, the damper is to be installed onto a structure or its element that may be exposed to impact, vibration or any other dynamic loading. The damper is composed of paralleled or consecutively connected viscous and elastic elements. The authors study the influence of viscosity and elasticity parameters of the damper produced onto the regular displacement of points of the structure to be protected and onto the regular acceleration transmitted immediately from the damper to the elements positioned below it.

  4. 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.

  5. 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

  6. 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.

  7. rEMM: Extensible Markov Model for Data Stream Clustering in R

    Directory of Open Access Journals (Sweden)

    Michael Hahsler

    2010-10-01

    Full Text Available Clustering streams of continuously arriving data has become an important application of data mining in recent years and efficient algorithms have been proposed by several researchers. However, clustering alone neglects the fact that data in a data stream is not only characterized by the proximity of data points which is used by clustering, but also by a temporal component. The extensible Markov model (EMM adds the temporal component to data stream clustering by superimposing a dynamically adapting Markov chain. In this paper we introduce the implementation of the R extension package rEMM which implements EMM and we discuss some examples and applications.

  8. NMR study of spin dynamics in mesoscopic molecular clusters

    Science.gov (United States)

    Borsa, Ferdinando

    1998-03-01

    Recent published and umpublished work regarding the magnetic properties and the spin dynamics of molecules containing rings of 6,8 and 10 spins and of molecules containing clusters of 8 and 12 spins are reviewed. The 1H nuclear spin-lattice relaxation rate (NSLR) and the Muon Spin Resonance relaxation in Mn12 (A.Lascialfari, D.Gatteschi, F.Borsa, A.Shastri, Z.H.Jang and P.Carretta, Phys.Rev. B 1 January 1998) and Fe8 clusters are presented and discussed with regards to the high temperature spin dynamics of the Mn (Fe) magnetic moments and with regards to the low temperature superparamagnetic behavior. 1H and 63Cu NMR results are presented for two "quantum" spin rings : Cu6 and Cu8. The Cu6 is a weakly coupled (J/k=60K) ferromagnetic S=1/2 spin ring while Cu8 is a strongly coupled (J/k greater than 400K) antiferromagnetic S=1/2 spin ring.The dependence of the NSRL from temperature and from applied magnetic field are analyzed in terms of the calculated magnetic energy levels of the magnetic ring. The values of the energy gap between the ground state and the first excited state are extracted from the exponential decrease of the NSLR as the temperature is lowered. The results in the Cu ( S=1/2) "quantum" rings are compared with the results in "quantum" chains and ladders and with the results in "classical" Fe (S=5/2) antiferromagnetic rings : Fe6 and Fe10 (A.Lascialfari, D.Gatteschi, F.Borsa and A.Cornia , Phys.Rev. 55B,14341,1997) ).

  9. Dynamic wake meandering modeling

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, Gunner C.; Aagaard Madsen, H.; Bingoel, F. (and others)

    2007-06-15

    We present a consistent, physically based theory for the wake meandering phenomenon, which we consider of crucial importance for the overall description of wind turbine loadings in wind farms. In its present version the model is confined to single wake situations. The model philosophy does, however, have the potential to include also mutual wake interaction phenomenons. The basic conjecture behind the dynamic wake meandering model is that wake transportation in the atmospheric boundary layer is driven by the large scale lateral- and vertical turbulence components. Based on this conjecture a stochastic model of the downstream wake meandering is formulated. In addition to the kinematic formulation of the dynamics of the 'meandering frame of reference', models characterizing the mean wake deficit as well as the added wake turbulence, described in the meandering frame of reference, are an integrated part the model complex. For design applications, the computational efficiency of wake deficit prediction is a key issue. Two computationally low cost models are developed for this purpose. The character of the added wake turbulence, generated by the up-stream turbine in the form of shed and trailed vorticity, has been approached by analytical as well as by numerical studies. The dynamic wake meandering philosophy has been verified by comparing model predictions with extensive full-scale measurements. These comparisons have demonstrated good agreement, both qualitatively and quantitatively, concerning both flow characteristics and turbine load characteristics. Contrary to previous attempts to model wake loading, the dynamic wake meandering approach opens for a unifying description in the sense that turbine power and load aspects can be treated simultaneously. This capability is a direct and attractive consequence of the model being based on the underlying physical process, and it potentially opens for optimization of wind farm topology, of wind farm operation as

  10. Dynamical chiral bag model

    International Nuclear Information System (INIS)

    Colanero, K.; Chu, M.-C.

    2002-01-01

    We study a dynamical chiral bag model, in which massless fermions are confined within an impenetrable but movable bag coupled to meson fields. The self-consistent motion of the bag is obtained by solving the equations of motion exactly assuming spherical symmetry. When the bag interacts with an external meson wave we find three different kinds of resonances: fermionic, geometric, and σ resonances. We discuss the phenomenological implications of our results

  11. Model for macroevolutionary dynamics.

    Science.gov (United States)

    Maruvka, Yosef E; Shnerb, Nadav M; Kessler, David A; Ricklefs, Robert E

    2013-07-02

    The highly skewed distribution of species among genera, although challenging to macroevolutionists, provides an opportunity to understand the dynamics of diversification, including species formation, extinction, and morphological evolution. Early models were based on either the work by Yule [Yule GU (1925) Philos Trans R Soc Lond B Biol Sci 213:21-87], which neglects extinction, or a simple birth-death (speciation-extinction) process. Here, we extend the more recent development of a generic, neutral speciation-extinction (of species)-origination (of genera; SEO) model for macroevolutionary dynamics of taxon diversification. Simulations show that deviations from the homogeneity assumptions in the model can be detected in species-per-genus distributions. The SEO model fits observed species-per-genus distributions well for class-to-kingdom-sized taxonomic groups. The model's predictions for the appearance times (the time of the first existing species) of the taxonomic groups also approximately match estimates based on molecular inference and fossil records. Unlike estimates based on analyses of phylogenetic reconstruction, fitted extinction rates for large clades are close to speciation rates, consistent with high rates of species turnover and the relatively slow change in diversity observed in the fossil record. Finally, the SEO model generally supports the consistency of generic boundaries based on morphological differences between species and provides a comparator for rates of lineage splitting and morphological evolution.

  12. Modelling of heterogeneous clustering in aluminium

    International Nuclear Information System (INIS)

    Smith, A.E.; Bourgeois, L.; Nie, J.-F.; Muddle, B.C.

    2003-01-01

    Full text: Ab initio modelling of heterogeneous clustering in aluminium has been carried out in order to study the precipitation hardening of alloys. This process is based on the addition of small amounts of solute element to the pure metal. With increasing computational power, atomic scale effects can now be better simulated to determine the nature of the hardening mechanism. Comparisons are made between results obtained from two computational packages. These are the Linear Augmented Plane Wave WEEN2K and the plane wave pseudopotential density functional theory package fhi98md. The study of the optimal geometry of very small size clusters inside aluminium has begun with the testing of initial convergence conditions by determination of binding energies for a variety of super cell sizes of the aluminium host crystal. These are compared with total energy calculations for small size precipitates of copper and transition metals of fixed geometry. Such local optimal determinations are seen as precursors to full Monte Carlo calculations of the notional best local geometry for larger precipitates

  13. 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.

  14. A multilevel simultaneous equations model for within-cluster dynamic effects, with an application to reciprocal parent–child and sibling effects

    OpenAIRE

    Fiona Steele; Jon Rasbash; Jennifer Jenkins

    2013-01-01

    There has been substantial interest in the social and health sciences in the reciprocal causal influences that people in close relationships have on one another. Most research has considered reciprocal processes involving only 2 units, although many social relationships of interest occur within a larger group (e.g., families, work groups, peer groups, classrooms). This article presents a general longitudinal multilevel modeling framework for the simultaneous estimation of reciprocal relations...

  15. Modeling the pinning of Au and Ni clusters on graphite

    NARCIS (Netherlands)

    Smith, R.; Nock, C.; Kenny, S.D.; Belbruno, J.J.; Di Vece, M.; Paloma, S.; Palmer, R.E.

    2006-01-01

    The pinning of size-selected AuN and NiN clusters on graphite, for N=7–100, is investigated by means of molecular dynamics simulations and the results are compared to experiment and previous work with Ag clusters. Ab initio calculations of the binding of the metal adatom and dimers on a graphite

  16. RETRAN dynamic slip model

    International Nuclear Information System (INIS)

    McFadden, J.H.; Paulsen, M.P.; Gose, G.C.

    1981-01-01

    Thermal-hydraulic codes in general use for system calculations are based on extensive analyses of loss-of-coolant accidents following the postulated rupture of a large coolant pipe. In this study, time-dependent equation for the slip velocity in a two-phase flow condition has been incorporated into the RETRAN-02 computer code. This model addition was undertaken to remove a limitation in RETRAN-01 associated with the homogeneous equilibrium mixture model. The dynamic slip equation was derived from a set of two-fluid conservation equations. 18 refs

  17. Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers.

    Science.gov (United States)

    Rodriguez, Carl L; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A

    2018-04-13

    We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

  18. Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers

    Science.gov (United States)

    Rodriguez, Carl L.; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A.

    2018-04-01

    We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

  19. Comparing clustering models in bank customers: Based on Fuzzy relational clustering approach

    Directory of Open Access Journals (Sweden)

    Ayad Hendalianpour

    2016-11-01

    Full Text Available Clustering is absolutely useful information to explore data structures and has been employed in many places. It organizes a set of objects into similar groups called clusters, and the objects within one cluster are both highly similar and dissimilar with the objects in other clusters. The K-mean, C-mean, Fuzzy C-mean and Kernel K-mean algorithms are the most popular clustering algorithms for their easy implementation and fast work, but in some cases we cannot use these algorithms. Regarding this, in this paper, a hybrid model for customer clustering is presented that is applicable in five banks of Fars Province, Shiraz, Iran. In this way, the fuzzy relation among customers is defined by using their features described in linguistic and quantitative variables. As follows, the customers of banks are grouped according to K-mean, C-mean, Fuzzy C-mean and Kernel K-mean algorithms and the proposed Fuzzy Relation Clustering (FRC algorithm. The aim of this paper is to show how to choose the best clustering algorithms based on density-based clustering and present a new clustering algorithm for both crisp and fuzzy variables. Finally, we apply the proposed approach to five datasets of customer's segmentation in banks. The result of the FCR shows the accuracy and high performance of FRC compared other clustering methods.

  20. Multi-cluster dynamics in CΛ13 and analogy to clustering in 12C

    Directory of Open Access Journals (Sweden)

    Y. Funaki

    2017-10-01

    Full Text Available We investigate structure of CΛ13 and discuss the difference and similarity between the structures of C12 and CΛ13 by answering the questions if the linear-chain and gaslike cluster states, which are proposed to appear in C12, survives, or new structure states appear or not. We introduce a microscopic cluster model called, Hyper-Tohsaki–Horiuchi–Schuck–Röpke (H-THSR wave function, which is an extended version of the THSR wave function so as to describe Λ hypernuclei. We obtained two bound states and two resonance (quasi-bound states for Jπ=0+ in CΛ13, corresponding to the four 0+ states in C12. However, the inversion of level ordering between the spectra of C12 and CΛ13, i.e. that the 03+ and 04+ states in CΛ13 correspond to the 04+ and 03+ states in C12, respectively, is shown to occur. The additional Λ particle reduces sizes of the 02+ and 03+ states in CΛ13 very much, but the shrinkage of the 04+ state is only a half of the other states, in spite of the fact that attractive Λ-N interaction makes nucleus contracted so much when the Λ particle occupies an S-orbit. In conclusion, the Hoyle state becomes quite a compact object with BeΛ9+α configuration in CΛ13 and is no more gaslike state composed of the 3α clusters. Instead, the 04+ state in CΛ13, coming from the C12(03+ state, appears as a gaslike state composed of α+α+Λ5He configuration, i.e. the Hoyle analog state. A linear-chain state in a Λ hypernucleus is for the first time predicted to exist as the 03+ state in CΛ13 with more shrunk arrangement of the 3α clusters along z-axis than the 3α linear-chain configuration realized in the C12(04+ state. All the excited states are shown to appear around the corresponding cluster-decay threshold, reflecting the threshold rule.

  1. Experimental Tests of the Algebraic Cluster Model

    Science.gov (United States)

    Gai, Moshe

    2018-02-01

    The Algebraic Cluster Model (ACM) of Bijker and Iachello that was proposed already in 2000 has been recently applied to 12C and 16O with much success. We review the current status in 12C with the outstanding observation of the ground state rotational band composed of the spin-parity states of: 0+, 2+, 3-, 4± and 5-. The observation of the 4± parity doublet is a characteristic of (tri-atomic) molecular configuration where the three alpha- particles are arranged in an equilateral triangular configuration of a symmetric spinning top. We discuss future measurement with electron scattering, 12C(e,e’) to test the predicted B(Eλ) of the ACM.

  2. Contact dynamics math model

    Science.gov (United States)

    Glaese, John R.; Tobbe, Patrick A.

    1986-01-01

    The Space Station Mechanism Test Bed consists of a hydraulically driven, computer controlled six degree of freedom (DOF) motion system with which docking, berthing, and other mechanisms can be evaluated. Measured contact forces and moments are provided to the simulation host computer to enable representation of orbital contact dynamics. This report describes the development of a generalized math model which represents the relative motion between two rigid orbiting vehicles. The model allows motion in six DOF for each body, with no vehicle size limitation. The rotational and translational equations of motion are derived. The method used to transform the forces and moments from the sensor location to the vehicles' centers of mass is also explained. Two math models of docking mechanisms, a simple translational spring and the Remote Manipulator System end effector, are presented along with simulation results. The translational spring model is used in an attempt to verify the simulation with compensated hardware in the loop results.

  3. 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.

  4. Are superluminous supernovae and long GRBs the products of dynamical processes in young dense star clusters?

    Energy Technology Data Exchange (ETDEWEB)

    Van den Heuvel, E. P. J. [Astronomical Institute Anton Pannekoek, University of Amsterdam, P.O. Box 94249, 1090 GE Amsterdam (Netherlands); Portegies Zwart, S. F. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

    2013-12-20

    Superluminous supernovae (SLSNe) occur almost exclusively in small galaxies (Small/Large Magellanic Cloud (SMC/LMC)-like or smaller), and the few SLSNe observed in larger star-forming galaxies always occur close to the nuclei of their hosts. Another type of peculiar and highly energetic supernovae are the broad-line Type Ic SNe (SN Ic-BL) that are associated with long-duration gamma-ray bursts (LGRBs). Also these have a strong preference for occurring in small (SMC/LMC-like or smaller) star-forming galaxies, and in these galaxies LGRBs always occur in the brightest spots. Studies of nearby star-forming galaxies that are similar to the hosts of LGRBs show that these brightest spots are giant H II regions produced by massive dense young star clusters with many hundreds of O- and Wolf-Rayet-type stars. Such dense young clusters are also found in abundance within a few hundred parsecs from the nucleus of larger galaxies like our own. We argue that the SLSNe and the SNe Ic-BL/LGRBs are exclusive products of two types of dynamical interactions in dense young star clusters. In our model the high angular momentum of the collapsing stellar cores required for the engines of an SN Ic-BL results from the post-main-sequence mergers of dynamically produced cluster binaries with almost equal-mass components. The merger produces a critically rotating single helium star with sufficient angular momentum to produce an LGRB; the observed 'metal aversion' of LGRBs is a natural consequence of the model. We argue that, on the other hand, SLSNe could be the products of runaway multiple collisions in dense clusters, and we present (and quantize) plausible scenarios of how the different types of SLSNe can be produced.

  5. Molecular dynamics calculation of half-lives for thermal decay of Lennard-Jones clusters

    International Nuclear Information System (INIS)

    Smith, R.W.

    1991-01-01

    Molecular dynamics has been used with a Lenard-Jones (6-12) potential in order to study the decay behavior of neutral Argon clusters containing between 12 and 14 atoms. The clusters were heated to temperatures well above their melting points and then tracked in time via molecular dynamics until evaporation of one or more atoms was observed. In each simulation, the mode of evaporation, energy released during evaporation, and cluster lifetime were recorded. Results from roughly 2000 simulation histories were combined in order to compute statistically significant values of cluster half-lives and decay energies. It was found that cluster half-life decreases with increasing energy and that for a given value of excess energy (defined as E=(E tot -E gnd )/n), the 13 atom cluster is more stable against decay than clusters containing either 12 or 14 atoms. The dominant decay mechanism for all clusters was determined to be single atom emission. (orig.)

  6. 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.

  7. Exactly soluble models for surface partition of large clusters

    International Nuclear Information System (INIS)

    Bugaev, K.A.; Bugaev, K.A.; Elliott, J.B.

    2007-01-01

    The surface partition of large clusters is studied analytically within a framework of the 'Hills and Dales Model'. Three formulations are solved exactly by using the Laplace-Fourier transformation method. In the limit of small amplitude deformations, the 'Hills and Dales Model' gives the upper and lower bounds for the surface entropy coefficient of large clusters. The found surface entropy coefficients are compared with those of large clusters within the 2- and 3-dimensional Ising models

  8. Comparison of various clustered interaction regions with regard to chromatic and dynamic behavior

    International Nuclear Information System (INIS)

    Leemann, B.; Wrulich, A.

    1986-05-01

    Clustered interaction regions for the SSC may be preferable from the viewpoint of costs and operation. In going from distributed to clustered IR's the superperiodicity of the machine is reduced and therefore the number of resonances induced by chromaticity correcting sextupoles is increased. This break in symmetry may cause a reduction in dynamic stability. The chromatic and dynamic behavior of the bare lattice is investigated for various cluster configurations. That means only chromaticity correcting sextupoles have been included and no magnetic imperfection errors have been considered. Then, the dynamic apertures of lattices with various IR clustering schemes are compared when random magnetic imperfections are included

  9. Dynamic Evolution Model Based on Social Network Services

    Science.gov (United States)

    Xiong, Xi; Gou, Zhi-Jian; Zhang, Shi-Bin; Zhao, Wen

    2013-11-01

    Based on the analysis of evolutionary characteristics of public opinion in social networking services (SNS), in the paper we propose a dynamic evolution model, in which opinions are coupled with topology. This model shows the clustering phenomenon of opinions in dynamic network evolution. The simulation results show that the model can fit the data from a social network site. The dynamic evolution of networks accelerates the opinion, separation and aggregation. The scale and the number of clusters are influenced by confidence limit and rewiring probability. Dynamic changes of the topology reduce the number of isolated nodes, while the increased confidence limit allows nodes to communicate more sufficiently. The two effects make the distribution of opinion more neutral. The dynamic evolution of networks generates central clusters with high connectivity and high betweenness, which make it difficult to control public opinions in SNS.

  10. 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...

  11. Innovation performance and clusters: a dynamic capability perspective on regional technology clusters

    OpenAIRE

    Röttmer, Nicole

    2009-01-01

    This research provides a novel, empirically tested, actionable theory of cluster innovativeness. Cluster innovativeness has for long been subject of research and resulting policy efforts. The cluster's endowment with assets, such as specialized labor, firms, research institutes, existing regional networks and a specific culture are, among others, recognized as sources of innovativeness. While the asset structure of clusters as been subject to a variety of research efforts, the evidence on the...

  12. Stochastic cluster algorithms for discrete Gaussian (SOS) models

    International Nuclear Information System (INIS)

    Evertz, H.G.; Hamburg Univ.; Hasenbusch, M.; Marcu, M.; Tel Aviv Univ.; Pinn, K.; Muenster Univ.; Solomon, S.

    1990-10-01

    We present new Monte Carlo cluster algorithms which eliminate critical slowing down in the simulation of solid-on-solid models. In this letter we focus on the two-dimensional discrete Gaussian model. The algorithms are based on reflecting the integer valued spin variables with respect to appropriately chosen reflection planes. The proper choice of the reflection plane turns out to be crucial in order to obtain a small dynamical exponent z. Actually, the successful versions of our algorithm are a mixture of two different procedures for choosing the reflection plane, one of them ergodic but slow, the other one non-ergodic and also slow when combined with a Metropolis algorithm. (orig.)

  13. Cluster-cluster correlations in the two-dimensional stationary Ising-model

    International Nuclear Information System (INIS)

    Klassmann, A.

    1997-01-01

    In numerical integration of the Cahn-Hillard equation, which describes Oswald rising in a two-phase matrix, N. Masbaum showed that spatial correlations between clusters scale with respect to the mean cluster size (itself a function of time). T. B. Liverpool showed by Monte Carlo simulations for the Ising model that the analogous correlations have a similar form. Both demonstrated that immediately around each cluster there is some depletion area followed by something like a ring of clusters of the same size as the original one. More precisely, it has been shown that the distribution of clusters around a given cluster looks like a sinus-curve decaying exponentially with respect to the distance to a constant value

  14. Radiobiological analyse based on cell cluster models

    International Nuclear Information System (INIS)

    Lin Hui; Jing Jia; Meng Damin; Xu Yuanying; Xu Liangfeng

    2010-01-01

    The influence of cell cluster dimension on EUD and TCP for targeted radionuclide therapy was studied using the radiobiological method. The radiobiological features of tumor with activity-lack in core were evaluated and analyzed by associating EUD, TCP and SF.The results show that EUD will increase with the increase of tumor dimension under the activity homogeneous distribution. If the extra-cellular activity was taken into consideration, the EUD will increase 47%. Under the activity-lack in tumor center and the requirement of TCP=0.90, the α cross-fire influence of 211 At could make up the maximum(48 μm)3 activity-lack for Nucleus source, but(72 μm)3 for Cytoplasm, Cell Surface, Cell and Voxel sources. In clinic,the physician could prefer the suggested dose of Cell Surface source in case of the future of local tumor control for under-dose. Generally TCP could well exhibit the effect difference between under-dose and due-dose, but not between due-dose and over-dose, which makes TCP more suitable for the therapy plan choice. EUD could well exhibit the difference between different models and activity distributions,which makes it more suitable for the research work. When the user uses EUD to study the influence of activity inhomogeneous distribution, one should keep the consistency of the configuration and volume of the former and the latter models. (authors)

  15. The general dynamic model

    DEFF Research Database (Denmark)

    Borregaard, Michael K.; Matthews, Thomas J.; Whittaker, Robert James

    2016-01-01

    Aim: Island biogeography focuses on understanding the processes that underlie a set of well-described patterns on islands, but it lacks a unified theoretical framework for integrating these processes. The recently proposed general dynamic model (GDM) of oceanic island biogeography offers a step...... towards this goal. Here, we present an analysis of causality within the GDM and investigate its potential for the further development of island biogeographical theory. Further, we extend the GDM to include subduction-based island arcs and continental fragment islands. Location: A conceptual analysis...... of evolutionary processes in simulations derived from the mechanistic assumptions of the GDM corresponded broadly to those initially suggested, with the exception of trends in extinction rates. Expanding the model to incorporate different scenarios of island ontogeny and isolation revealed a sensitivity...

  16. Simulating The Dynamical Evolution Of Galaxies In Group And Cluster Environments

    Science.gov (United States)

    Vijayaraghavan, Rukmani

    2015-07-01

    Galaxy clusters are harsh environments for their constituent galaxies. A variety of physical processes effective in these dense environments transform gas-rich, spiral, star-forming galaxies to elliptical or spheroidal galaxies with very little gas and therefore minimal star formation. The consequences of these processes are well understood observationally. Galaxies in progressively denser environments have systematically declining star formation rates and gas content. However, a theoretical understanding of of where, when, and how these processes act, and the interplay between the various galaxy transformation mechanisms in clusters remains elusive. In this dissertation, I use numerical simulations of cluster mergers as well as galaxies evolving in quiescent environments to develop a theoretical framework to understand some of the physics of galaxy transformation in cluster environments. Galaxies can be transformed in smaller groups before they are accreted by their eventual massive cluster environments, an effect termed `pre-processing'. Galaxy cluster mergers themselves can accelerate many galaxy transformation mechanisms, including tidal and ram pressure stripping of galaxies and galaxy-galaxy collisions and mergers that result in reassemblies of galaxies' stars and gas. Observationally, cluster mergers have distinct velocity and phase-space signatures depending on the observer's line of sight with respect to the merger direction. Using dark matter only as well as hydrodynamic simulations of cluster mergers with random ensembles of particles tagged with galaxy models, I quantify the effects of cluster mergers on galaxy evolution before, during, and after the mergers. Based on my theoretical predictions of the dynamical signatures of these mergers in combination with galaxy transformation signatures, one can observationally identify remnants of mergers and quantify the effect of the environment on galaxies in dense group and cluster environments. The presence of

  17. Record Dynamics and the Parking Lot Model for granular dynamics

    Science.gov (United States)

    Sibani, Paolo; Boettcher, Stefan

    Also known for its application to granular compaction (E. Ben-Naim et al., Physica D, 1998), the Parking Lot Model (PLM) describes the random parking of identical cars in a strip with no marked bays. In the thermally activated version considered, cars can be removed at an energy cost and, in thermal equilibrium, their average density increases as temperature decreases. However, equilibration at high density becomes exceedingly slow and the system enters an aging regime induced by a kinematic constraint, the fact that parked cars may not overlap. As parking an extra car reduces the available free space,the next parking event is even harder to achieve. Records in the number of parked cars mark the salient features of the dynamics and are shown to be well described by the log-Poisson statistics known from other glassy systems with record dynamics. Clusters of cars whose positions must be rearranged to make the next insertion possible have a length scale which grows logarithmically with age, while their life-time grows exponentially with size. The implications for a recent cluster model of colloidal dynamics,(S. Boettcher and P. Sibani, J. Phys.: Cond. Matter, 2011 N. Becker et al., J. Phys.: Cond. Matter, 2014) are discussed. Support rom the Villum Foundation is gratefully acknowledged.

  18. Decay analysis of compound nuclei formed in reactions with exotic neutron-rich 9Li projectile and the synthesis of 217At* within the dynamical cluster-decay model

    Science.gov (United States)

    Kaur, Arshdeep; Kaushal, Pooja; Hemdeep; Gupta, Raj K.

    2018-01-01

    The decay of various compound nuclei formed via exotic neutron-rich 9Li projectile is studied within the dynamical cluster-decay model (DCM). Following the earlier work of one of us (RKG) and collaborators (M. Kaur et al. (2015) [1]), for an empirically fixed neck-length parameter ΔRemp, the only parameter in the DCM, at a given incident laboratory energy ELab, we are able to fit almost exactly the (total) fusion cross section σfus =∑x=16σxn for 9Li projectile on 208Pb and other targets, with σfus depending strongly on the target mass of the most abundant isotope and its (magic) shell structure. This result shows the predictable nature of the DCM. The neck-length parameter ΔRemp is fixed empirically for the decay of 217At* formed in 9Li + 208Pb reaction at a fixed laboratory energy ELab, and then the total fusion cross section σfus calculated for all other reactions using 9Li as a projectile on different targets. Apparently, this procedure could be used to predict σfus for 9Li-induced reactions where experimental data are not available. Furthermore, optimum choice of "cold" target-projectile combinations, forming "hot" compact configurations, are predicted for the synthesis of compound nucleus 217At* with 8Li + 209Pb as one of the target-projectile combination, or another (t , p) combination 48Ca + 169Tb, with a doubly magic 48Ca, as the best possibility.

  19. A cluster expansion model for predicting activation barrier of atomic processes

    International Nuclear Information System (INIS)

    Rehman, Tafizur; Jaipal, M.; Chatterjee, Abhijit

    2013-01-01

    We introduce a procedure based on cluster expansion models for predicting the activation barrier of atomic processes encountered while studying the dynamics of a material system using the kinetic Monte Carlo (KMC) method. Starting with an interatomic potential description, a mathematical derivation is presented to show that the local environment dependence of the activation barrier can be captured using cluster interaction models. Next, we develop a systematic procedure for training the cluster interaction model on-the-fly, which involves: (i) obtaining activation barriers for handful local environments using nudged elastic band (NEB) calculations, (ii) identifying the local environment by analyzing the NEB results, and (iii) estimating the cluster interaction model parameters from the activation barrier data. Once a cluster expansion model has been trained, it is used to predict activation barriers without requiring any additional NEB calculations. Numerical studies are performed to validate the cluster expansion model by studying hop processes in Ag/Ag(100). We show that the use of cluster expansion model with KMC enables efficient generation of an accurate process rate catalog

  20. 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.

  1. 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)

  2. The impact of mobile point defect clusters in a kinetic model of pressure vessel embrittlement

    International Nuclear Information System (INIS)

    Stoller, R.E.

    1998-05-01

    The results of recent molecular dynamics simulations of displacement cascades in iron indicate that small interstitial clusters may have a very low activation energy for migration, and that their migration is 1-dimensional, rather than 3-dimensional. The mobility of these clusters can have a significant impact on the predictions of radiation damage models, particularly at the relatively low temperatures typical of commercial, light water reactor pressure vessels (RPV) and other out-of-core components. A previously-developed kinetic model used to investigate RPV embrittlement has been modified to permit an evaluation of the mobile interstitial clusters. Sink strengths appropriate to both 1- and 3-dimensional motion of the clusters were evaluated. High cluster mobility leads to a reduction in the amount of predicted embrittlement due to interstitial clusters since they are lost to sinks rather than building up in the microstructure. The sensitivity of the predictions to displacement rate also increases. The magnitude of this effect is somewhat reduced if the migration is 1-dimensional since the corresponding sink strengths are lower than those for 3-dimensional diffusion. The cluster mobility can also affect the evolution of copper-rich precipitates in the model since the radiation-enhanced diffusion coefficient increases due to the lower interstitial cluster sink strength. The overall impact of the modifications to the model is discussed in terms of the major irradiation variables and material parameter uncertainties

  3. Dynamic Linear Models with R

    CERN Document Server

    Campagnoli, Patrizia; Petris, Giovanni

    2009-01-01

    State space models have gained tremendous popularity in as disparate fields as engineering, economics, genetics and ecology. Introducing general state space models, this book focuses on dynamic linear models, emphasizing their Bayesian analysis. It illustrates the fundamental steps needed to use dynamic linear models in practice, using R package.

  4. K­MEANS CLUSTERING FOR HIDDEN MARKOV MODEL

    NARCIS (Netherlands)

    Perrone, M.P.; Connell, S.D.

    2004-01-01

    An unsupervised k­means clustering algorithm for hidden Markov models is described and applied to the task of generating subclass models for individual handwritten character classes. The algorithm is compared to a related clustering method and shown to give a relative change in the error rate of as

  5. Cluster radioactive decay within the preformed cluster model using relativistic mean-field theory densities

    International Nuclear Information System (INIS)

    Singh, BirBikram; Patra, S. K.; Gupta, Raj K.

    2010-01-01

    We have studied the (ground-state) cluster radioactive decays within the preformed cluster model (PCM) of Gupta and collaborators [R. K. Gupta, in Proceedings of the 5th International Conference on Nuclear Reaction Mechanisms, Varenna, edited by E. Gadioli (Ricerca Scientifica ed Educazione Permanente, Milano, 1988), p. 416; S. S. Malik and R. K. Gupta, Phys. Rev. C 39, 1992 (1989)]. The relativistic mean-field (RMF) theory is used to obtain the nuclear matter densities for the double folding procedure used to construct the cluster-daughter potential with M3Y nucleon-nucleon interaction including exchange effects. Following the PCM approach, we have deduced empirically the preformation probability P 0 emp from the experimental data on both the α- and exotic cluster-decays, specifically of parents in the trans-lead region having doubly magic 208 Pb or its neighboring nuclei as daughters. Interestingly, the RMF-densities-based nuclear potential supports the concept of preformation for both the α and heavier clusters in radioactive nuclei. P 0 α(emp) for α decays is almost constant (∼10 -2 -10 -3 ) for all the parent nuclei considered here, and P 0 c(emp) for cluster decays of the same parents decrease with the size of clusters emitted from different parents. The results obtained for P 0 c(emp) are reasonable and are within two to three orders of magnitude of the well-accepted phenomenological model of Blendowske-Walliser for light clusters.

  6. GIS and dynamic phenomena modeling

    Czech Academy of Sciences Publication Activity Database

    Klimešová, Dana

    2006-01-01

    Roč. 4, č. 4 (2006), s. 11-15 ISSN 0139-570X Institutional research plan: CEZ:AV0Z10750506 Keywords : dynamic modelling * temporal analysis * dynamics evaluation * temporal space Subject RIV: BC - Control Systems Theory

  7. 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.

  8. 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.)

  9. An algebraic model for three-cluster giant molecules

    International Nuclear Information System (INIS)

    Hess, P.O.; Bijker, R.; Misicu, S.

    2001-01-01

    After an introduction to the algebraic U(7) model for three bodies, we present a relation of a geometrical description of three-cluster molecule to the algebraic U(7) model. Stiffness parameters of oscillations between each of two clusters are calculated and translated to the model parameter values of the algebraic model. The model is applied to the trinuclear system l32 Sn+ α + ll6 Pd which occurs in the ternary cold fission of 252 Cf. (Author)

  10. Collisional model for granular impact dynamics.

    Science.gov (United States)

    Clark, Abram H; Petersen, Alec J; Behringer, Robert P

    2014-01-01

    When an intruder strikes a granular material from above, the grains exert a stopping force which decelerates and stops the intruder. Many previous studies have used a macroscopic force law, including a drag force which is quadratic in velocity, to characterize the decelerating force on the intruder. However, the microscopic origins of the force-law terms are still a subject of debate. Here, drawing from previous experiments with photoelastic particles, we present a model which describes the velocity-squared force in terms of repeated collisions with clusters of grains. From our high speed photoelastic data, we infer that "clusters" correspond to segments of the strong force network that are excited by the advancing intruder. The model predicts a scaling relation for the velocity-squared drag force that accounts for the intruder shape. Additionally, we show that the collisional model predicts an instability to rotations, which depends on the intruder shape. To test this model, we perform a comprehensive experimental study of the dynamics of two-dimensional granular impacts on beds of photoelastic disks, with different profiles for the leading edge of the intruder. We particularly focus on a simple and useful case for testing shape effects by using triangular-nosed intruders. We show that the collisional model effectively captures the dynamics of intruder deceleration and rotation; i.e., these two dynamical effects can be described as two different manifestations of the same grain-scale physical processes.

  11. Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hyeon [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C2H5O, and linear Cn (n = 4--6).

  12. Identifying Clusters with Mixture Models that Include Radial Velocity Observations

    Science.gov (United States)

    Czarnatowicz, Alexis; Ybarra, Jason E.

    2018-01-01

    The study of stellar clusters plays an integral role in the study of star formation. We present a cluster mixture model that considers radial velocity data in addition to spatial data. Maximum likelihood estimation through the Expectation-Maximization (EM) algorithm is used for parameter estimation. Our mixture model analysis can be used to distinguish adjacent or overlapping clusters, and estimate properties for each cluster.Work supported by awards from the Virginia Foundation for Independent Colleges (VFIC) Undergraduate Science Research Fellowship and The Research Experience @Bridgewater (TREB).

  13. 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.

  14. Deformation of Ag clusters deposited on Au(111) - Experiment and molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Miroslawski, Natalie; Groenhagen, Niklas; Hoevel, Heinz [TU Dortmund, Experimentelle Physik I (Germany); Issendorff, Bernd von [Universitaet Freiburg, Fakultaet Physik (Germany); Jaervi, Tommi [Fraunhofer Institut fuer Werkstoffmechanik, Freiburg (Germany); Moseler, Michael [Universitaet Freiburg, Fakultaet Physik (Germany); Fraunhofer Institut fuer Werkstoffmechanik, Freiburg (Germany); Freiburger Materialforschungszentrum (Germany)

    2011-07-01

    Mass selected clusters from Ag{sup +}{sub 55} to Ag{sup +}{sub 147{+-}}{sub 2} were deposited with different deposition energies at 77 K on Au(111) and imaged with STM at 77 K. We observed a deformation of the cluster shape due to the strong metallic interaction between the cluster and the substrate. The clusters became epitaxial and developed a structure composed of several Ag monolayers. The number of these monolayers depends on the number of atoms in the cluster and the deposition energy. The larger the cluster mass the more monolayers the cluster develops on Au(111) and the larger the deposition energy the fewer monolayers occur. These results were verified by molecular dynamic simulations. Additionally the behaviour of Ag{sub N} clusters on Au(111) after different annealing steps was investigated.

  15. A eural etwork Model for Dynamics Simulation

    African Journals Online (AJOL)

    Nafiisah

    Results 5 - 18 ... situations, such as a dynamic environment (e.g., a molecular dynamics (MD) simulation whereby an atom constantly changes its local environment and number ..... of systems including both small clusters and bulk structures. 7.

  16. 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.)

  17. On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

    Science.gov (United States)

    Turi, László

    2016-04-01

    We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

  18. Cluster Cooperation in Wireless-Powered Sensor Networks: Modeling and Performance Analysis

    Directory of Open Access Journals (Sweden)

    Chao Zhang

    2017-09-01

    Full Text Available A wireless-powered sensor network (WPSN consisting of one hybrid access point (HAP, a near cluster and the corresponding far cluster is investigated in this paper. These sensors are wireless-powered and they transmit information by consuming the harvested energy from signal ejected by the HAP. Sensors are able to harvest energy as well as store the harvested energy. We propose that if sensors in near cluster do not have their own information to transmit, acting as relays, they can help the sensors in a far cluster to forward information to the HAP in an amplify-and-forward (AF manner. We use a finite Markov chain to model the dynamic variation process of the relay battery, and give a general analyzing model for WPSN with cluster cooperation. Though the model, we deduce the closed-form expression for the outage probability as the metric of this network. Finally, simulation results validate the start point of designing this paper and correctness of theoretical analysis and show how parameters have an effect on system performance. Moreover, it is also known that the outage probability of sensors in far cluster can be drastically reduced without sacrificing the performance of sensors in near cluster if the transmit power of HAP is fairly high. Furthermore, in the aspect of outage performance of far cluster, the proposed scheme significantly outperforms the direct transmission scheme without cooperation.

  19. Cluster Cooperation in Wireless-Powered Sensor Networks: Modeling and Performance Analysis.

    Science.gov (United States)

    Zhang, Chao; Zhang, Pengcheng; Zhang, Weizhan

    2017-09-27

    A wireless-powered sensor network (WPSN) consisting of one hybrid access point (HAP), a near cluster and the corresponding far cluster is investigated in this paper. These sensors are wireless-powered and they transmit information by consuming the harvested energy from signal ejected by the HAP. Sensors are able to harvest energy as well as store the harvested energy. We propose that if sensors in near cluster do not have their own information to transmit, acting as relays, they can help the sensors in a far cluster to forward information to the HAP in an amplify-and-forward (AF) manner. We use a finite Markov chain to model the dynamic variation process of the relay battery, and give a general analyzing model for WPSN with cluster cooperation. Though the model, we deduce the closed-form expression for the outage probability as the metric of this network. Finally, simulation results validate the start point of designing this paper and correctness of theoretical analysis and show how parameters have an effect on system performance. Moreover, it is also known that the outage probability of sensors in far cluster can be drastically reduced without sacrificing the performance of sensors in near cluster if the transmit power of HAP is fairly high. Furthermore, in the aspect of outage performance of far cluster, the proposed scheme significantly outperforms the direct transmission scheme without cooperation.

  20. On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

    Energy Technology Data Exchange (ETDEWEB)

    Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

    2016-04-21

    We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

  1. Dynamic Load Balanced Clustering using Elitism based Random Immigrant Genetic Approach for Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    K. Mohaideen Pitchai

    2017-07-01

    Full Text Available Wireless Sensor Network (WSN consists of a large number of small sensors with restricted energy. Prolonged network lifespan, scalability, node mobility and load balancing are important needs for several WSN applications. Clustering the sensor nodes is an efficient technique to reach these goals. WSN have the characteristics of topology dynamics because of factors like energy conservation and node movement that leads to Dynamic Load Balanced Clustering Problem (DLBCP. In this paper, Elitism based Random Immigrant Genetic Approach (ERIGA is proposed to solve DLBCP which adapts to topology dynamics. ERIGA uses the dynamic Genetic Algorithm (GA components for solving the DLBCP. The performance of load balanced clustering process is enhanced with the help of this dynamic GA. As a result, the ERIGA achieves to elect suitable cluster heads which balances the network load and increases the lifespan of the network.

  2. 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

  3. 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.

  4. Globular cluster metallicity scale: evidence from stellar models

    International Nuclear Information System (INIS)

    Demarque, P.; King, C.R.; Diaz, A.

    1982-01-01

    Theoretical giant branches have been constructed to determine their relative positions for metallicities in the range -2.3 0 )/sub 0,g/ based on these models is presented which yields good agreement over the observed range of metallicities for galactic globular clusters and old disk clusters. The metallicity of 47 Tuc and M71 given by this calibration is about -0.8 dex. Subject headings: clusters, globular: stars: abundances: stars: interiors

  5. Orbital magnetism and dynamics in alkali metal clusters

    International Nuclear Information System (INIS)

    Nesterenko, V.O.; Kleinig, W.; Souza Cruz, FF. de; Marinelli, J.R.

    2000-01-01

    Two remarkable orbital magnetic resonances, M1 scissor mode and M2 twist mode, are predicted in deformed and spherical metal clusters, respectively. We show that these resonances provide a valuable information about many cluster properties (quadrupole deformation, magnetic susceptibility, single-particle spectrum, etc.)

  6. Representing Degree Distributions, Clustering, and Homophily in Social Networks With Latent Cluster Random Effects Models.

    Science.gov (United States)

    Krivitsky, Pavel N; Handcock, Mark S; Raftery, Adrian E; Hoff, Peter D

    2009-07-01

    Social network data often involve transitivity, homophily on observed attributes, clustering, and heterogeneity of actor degrees. We propose a latent cluster random effects model to represent all of these features, and we describe a Bayesian estimation method for it. The model is applicable to both binary and non-binary network data. We illustrate the model using two real datasets. We also apply it to two simulated network datasets with the same, highly skewed, degree distribution, but very different network behavior: one unstructured and the other with transitivity and clustering. Models based on degree distributions, such as scale-free, preferential attachment and power-law models, cannot distinguish between these very different situations, but our model does.

  7. Modelling dynamic roughness during floods

    NARCIS (Netherlands)

    Paarlberg, Andries; Dohmen-Janssen, Catarine M.; Hulscher, Suzanne J.M.H.; Termes, A.P.P.

    2007-01-01

    In this paper, we present a dynamic roughness model to predict water levels during floods. Hysteresis effects of dune development are explicitly included. It is shown that differences between the new dynamic roughness model, and models where the roughness coefficient is calibrated, are most

  8. 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)

  9. Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models

    Science.gov (United States)

    Liu, Ling; Kupiainen-Määttä, Oona; Zhang, Haijie; Li, Hao; Zhong, Jie; Kurtén, Theo; Vehkamäki, Hanna; Zhang, Shaowen; Zhang, Yunhong; Ge, Maofa; Zhang, Xiuhui; Li, Zesheng

    2018-06-01

    The formation of atmospheric aerosol particles from condensable gases is a dominant source of particulate matter in the boundary layer, but the mechanism is still ambiguous. During the clustering process, precursors with different reactivities can induce various chemical reactions in addition to the formation of hydrogen bonds. However, the clustering mechanism involving chemical reactions is rarely considered in most of the nucleation process models. Oxocarboxylic acids are common compositions of secondary organic aerosol, but the role of oxocarboxylic acids in secondary organic aerosol formation is still not fully understood. In this paper, glyoxylic acid, the simplest and the most abundant atmospheric oxocarboxylic acid, has been selected as a representative example of oxocarboxylic acids in order to study the clustering mechanism involving hydration reactions using density functional theory combined with the Atmospheric Clusters Dynamic Code. The hydration reaction of glyoxylic acid can occur either in the gas phase or during the clustering process. Under atmospheric conditions, the total conversion ratio of glyoxylic acid to its hydration reaction product (2,2-dihydroxyacetic acid) in both gas phase and clusters can be up to 85%, and the product can further participate in the clustering process. The differences in cluster structures and properties induced by the hydration reaction lead to significant differences in cluster formation rates and pathways at relatively low temperatures.

  10. 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.

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

    Science.gov (United States)

    Manzi, Alessandro; Dario, Paolo; Cavallo, Filippo

    2017-05-11

    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.

  12. 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).

  13. 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.

  14. Stopping dynamics of ions passing through correlated honeycomb clusters

    Science.gov (United States)

    Balzer, Karsten; Schlünzen, Niclas; Bonitz, Michael

    2016-12-01

    A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperatures. Numerical results are presented for finite inhomogeneous two-dimensional Fermi-Hubbard models, where the many-electron dynamics in the target are treated fully quantum mechanically and the motion of the projectile is treated classically. The simulations are based on the solution of the two-time Dyson (Keldysh-Kadanoff-Baym) equations using the second-order Born, third-order, and T -matrix approximations of the self-energy. As application, we consider protons and helium nuclei with a kinetic energy between 1 and 500 keV/u passing through planar fragments of the two-dimensional honeycomb lattice and, in particular, examine the influence of electron-electron correlations on the energy exchange between projectile and electron system. We investigate the time dependence of the projectile's kinetic energy (stopping power), the electron density, the double occupancy, and the photoemission spectrum. Finally, we show that, for a suitable choice of the Hubbard model parameters, the results for the stopping power are in fair agreement with ab initio simulations for particle irradiation of single-layer graphene.

  15. Control of clustered action potential firing in a mathematical model of entorhinal cortex stellate cells.

    Science.gov (United States)

    Tait, Luke; Wedgwood, Kyle; Tsaneva-Atanasova, Krasimira; Brown, Jon T; Goodfellow, Marc

    2018-07-14

    The entorhinal cortex is a crucial component of our memory and spatial navigation systems and is one of the first areas to be affected in dementias featuring tau pathology, such as Alzheimer's disease and frontotemporal dementia. Electrophysiological recordings from principle cells of medial entorhinal cortex (layer II stellate cells, mEC-SCs) demonstrate a number of key identifying properties including subthreshold oscillations in the theta (4-12 Hz) range and clustered action potential firing. These single cell properties are correlated with network activity such as grid firing and coupling between theta and gamma rhythms, suggesting they are important for spatial memory. As such, experimental models of dementia have revealed disruption of organised dorsoventral gradients in clustered action potential firing. To better understand the mechanisms underpinning these different dynamics, we study a conductance based model of mEC-SCs. We demonstrate that the model, driven by extrinsic noise, can capture quantitative differences in clustered action potential firing patterns recorded from experimental models of tau pathology and healthy animals. The differential equation formulation of our model allows us to perform numerical bifurcation analyses in order to uncover the dynamic mechanisms underlying these patterns. We show that clustered dynamics can be understood as subcritical Hopf/homoclinic bursting in a fast-slow system where the slow sub-system is governed by activation of the persistent sodium current and inactivation of the slow A-type potassium current. In the full system, we demonstrate that clustered firing arises via flip bifurcations as conductance parameters are varied. Our model analyses confirm the experimentally suggested hypothesis that the breakdown of clustered dynamics in disease occurs via increases in AHP conductance. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

  16. ANALISIS SEGMENTASI PELANGGAN MENGGUNAKAN KOMBINASI RFM MODEL DAN TEKNIK CLUSTERING

    Directory of Open Access Journals (Sweden)

    Beta Estri Adiana

    2018-04-01

    Full Text Available Intense competition in the business field motivates a small and medium enterprises (SMEs to manage customer services to the maximal. Improve of customer royalty by grouping cunstomers into some of groups and determining appropriate and effective marketing strategies for each group. Customer segmentation can be performed by data mining approach with clustering method. The main purpose of this paper is customer segmentation and measure their loyalty to a SME’s product. Using CRISP-DM method which consist of six phases, namely business understanding, data understanding, data preparatuin, modeling, evaluation and deployment. The K-Means algorithm is used for cluster formation and RapidMiner as a tool used to evaluate the result of clusters. Cluster formation is based on RFM (recency, frequency, monetary analysis. Davies Bouldin Index (DBI is used to find the optimal number of clusters (k. The customers are divided into 3 clusters, total of customer in first cluster is 30 customers who entered in typical customer category, the second cluster there are 8 customer whho entered in superstar customer and 89 customers in third cluster is dormant cluster category.

  17. Quark cluster model in the three-nucleon system

    International Nuclear Information System (INIS)

    Osman, A.

    1986-11-01

    The quark cluster model is used to investigate the structure of the three-nucleon systems. The nucleon-nucleon interaction is proposed considering the colour-nucleon clusters and incorporating the quark degrees of freedom. The quark-quark potential in the quark compound bag model agrees with the central force potentials. The confinement potential reduces the short-range repulsion. The colour van der Waals force is determined. Then, the probability of quark clusters in the three-nucleon bound state systems are numerically calculated using realistic nuclear wave functions. The results of the present calculations show that quarks cluster themselves in three-quark systems building the quark cluster model for the trinucleon system. (author)

  18. Clustering disaggregated load profiles using a Dirichlet process mixture model

    International Nuclear Information System (INIS)

    Granell, Ramon; Axon, Colin J.; Wallom, David C.H.

    2015-01-01

    Highlights: • We show that the Dirichlet process mixture model is scaleable. • Our model does not require the number of clusters as an input. • Our model creates clusters only by the features of the demand profiles. • We have used both residential and commercial data sets. - Abstract: The increasing availability of substantial quantities of power-use data in both the residential and commercial sectors raises the possibility of mining the data to the advantage of both consumers and network operations. We present a Bayesian non-parametric model to cluster load profiles from households and business premises. Evaluators show that our model performs as well as other popular clustering methods, but unlike most other methods it does not require the number of clusters to be predetermined by the user. We used the so-called ‘Chinese restaurant process’ method to solve the model, making use of the Dirichlet-multinomial distribution. The number of clusters grew logarithmically with the quantity of data, making the technique suitable for scaling to large data sets. We were able to show that the model could distinguish features such as the nationality, household size, and type of dwelling between the cluster memberships

  19. Fitting Latent Cluster Models for Networks with latentnet

    Directory of Open Access Journals (Sweden)

    Pavel N. Krivitsky

    2007-12-01

    Full Text Available latentnet is a package to fit and evaluate statistical latent position and cluster models for networks. Hoff, Raftery, and Handcock (2002 suggested an approach to modeling networks based on positing the existence of an latent space of characteristics of the actors. Relationships form as a function of distances between these characteristics as well as functions of observed dyadic level covariates. In latentnet social distances are represented in a Euclidean space. It also includes a variant of the extension of the latent position model to allow for clustering of the positions developed in Handcock, Raftery, and Tantrum (2007.The package implements Bayesian inference for the models based on an Markov chain Monte Carlo algorithm. It can also compute maximum likelihood estimates for the latent position model and a two-stage maximum likelihood method for the latent position cluster model. For latent position cluster models, the package provides a Bayesian way of assessing how many groups there are, and thus whether or not there is any clustering (since if the preferred number of groups is 1, there is little evidence for clustering. It also estimates which cluster each actor belongs to. These estimates are probabilistic, and provide the probability of each actor belonging to each cluster. It computes four types of point estimates for the coefficients and positions: maximum likelihood estimate, posterior mean, posterior mode and the estimator which minimizes Kullback-Leibler divergence from the posterior. You can assess the goodness-of-fit of the model via posterior predictive checks. It has a function to simulate networks from a latent position or latent position cluster model.

  20. 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.

  1. 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

  2. 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.

  3. Cluster-based analysis of multi-model climate ensembles

    Science.gov (United States)

    Hyde, Richard; Hossaini, Ryan; Leeson, Amber A.

    2018-06-01

    Clustering - the automated grouping of similar data - can provide powerful and unique insight into large and complex data sets, in a fast and computationally efficient manner. While clustering has been used in a variety of fields (from medical image processing to economics), its application within atmospheric science has been fairly limited to date, and the potential benefits of the application of advanced clustering techniques to climate data (both model output and observations) has yet to be fully realised. In this paper, we explore the specific application of clustering to a multi-model climate ensemble. We hypothesise that clustering techniques can provide (a) a flexible, data-driven method of testing model-observation agreement and (b) a mechanism with which to identify model development priorities. We focus our analysis on chemistry-climate model (CCM) output of tropospheric ozone - an important greenhouse gas - from the recent Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP). Tropospheric column ozone from the ACCMIP ensemble was clustered using the Data Density based Clustering (DDC) algorithm. We find that a multi-model mean (MMM) calculated using members of the most-populous cluster identified at each location offers a reduction of up to ˜ 20 % in the global absolute mean bias between the MMM and an observed satellite-based tropospheric ozone climatology, with respect to a simple, all-model MMM. On a spatial basis, the bias is reduced at ˜ 62 % of all locations, with the largest bias reductions occurring in the Northern Hemisphere - where ozone concentrations are relatively large. However, the bias is unchanged at 9 % of all locations and increases at 29 %, particularly in the Southern Hemisphere. The latter demonstrates that although cluster-based subsampling acts to remove outlier model data, such data may in fact be closer to observed values in some locations. We further demonstrate that clustering can provide a viable and

  4. RELICS: Strong Lens Models for Five Galaxy Clusters from the Reionization Lensing Cluster Survey

    Science.gov (United States)

    Cerny, Catherine; Sharon, Keren; Andrade-Santos, Felipe; Avila, Roberto J.; Bradač, Maruša; Bradley, Larry D.; Carrasco, Daniela; Coe, Dan; Czakon, Nicole G.; Dawson, William A.; Frye, Brenda L.; Hoag, Austin; Huang, Kuang-Han; Johnson, Traci L.; Jones, Christine; Lam, Daniel; Lovisari, Lorenzo; Mainali, Ramesh; Oesch, Pascal A.; Ogaz, Sara; Past, Matthew; Paterno-Mahler, Rachel; Peterson, Avery; Riess, Adam G.; Rodney, Steven A.; Ryan, Russell E.; Salmon, Brett; Sendra-Server, Irene; Stark, Daniel P.; Strolger, Louis-Gregory; Trenti, Michele; Umetsu, Keiichi; Vulcani, Benedetta; Zitrin, Adi

    2018-06-01

    Strong gravitational lensing by galaxy clusters magnifies background galaxies, enhancing our ability to discover statistically significant samples of galaxies at {\\boldsymbol{z}}> 6, in order to constrain the high-redshift galaxy luminosity functions. Here, we present the first five lens models out of the Reionization Lensing Cluster Survey (RELICS) Hubble Treasury Program, based on new HST WFC3/IR and ACS imaging of the clusters RXC J0142.9+4438, Abell 2537, Abell 2163, RXC J2211.7–0349, and ACT-CLJ0102–49151. The derived lensing magnification is essential for estimating the intrinsic properties of high-redshift galaxy candidates, and properly accounting for the survey volume. We report on new spectroscopic redshifts of multiply imaged lensed galaxies behind these clusters, which are used as constraints, and detail our strategy to reduce systematic uncertainties due to lack of spectroscopic information. In addition, we quantify the uncertainty on the lensing magnification due to statistical and systematic errors related to the lens modeling process, and find that in all but one cluster, the magnification is constrained to better than 20% in at least 80% of the field of view, including statistical and systematic uncertainties. The five clusters presented in this paper span the range of masses and redshifts of the clusters in the RELICS program. We find that they exhibit similar strong lensing efficiencies to the clusters targeted by the Hubble Frontier Fields within the WFC3/IR field of view. Outputs of the lens models are made available to the community through the Mikulski Archive for Space Telescopes.

  5. Dynamics diffusion behaviors of Pd small clusters on a Pd(1 1 1) surface

    International Nuclear Information System (INIS)

    Liu, Fusheng; Hu, Wangyu; Deng, Huiqiu; He, Rensheng; Yang, Xiyuan; Lu, Kuilin; Deng, Lei; Luo, Wenhua

    2010-01-01

    Using molecular dynamics, nudged elastic band and modified analytic embedded atom methods, the self-diffusion dynamics properties of palladium atomic clusters up to seven atoms on the Pd (1 1 1) surface have been studied at temperatures ranging from 300 to 1000 K. The simulation time varies from 20 to 75 ns according to the cluster sizes and the temperature ranges. The heptamer and trimer are more stable than the other neighboring clusters. The diffusion coefficients of the clusters are derived from the mean square displacement of the cluster's mass-center, and the diffusion prefactors D 0 and activation energies E a are derived from the Arrhenius relation. The activation energy of the clusters increases with the increasing atom number in the clusters, especially for Pd 6 to Pd 7 . The analysis of trajectories shows the noncompact clusters diffuse by the local diffusion mechanism but the compact clusters diffuse mainly by the whole gliding mechanism, and some static energy barriers of the diffusion modes are calculated. From Pd 2 to Pd 6 , the prefactors are in the range of the standard value 10 −3  cm 2  s −1 , and the prefactor of Pd 7 cluster is 2 orders of magnitude greater than that of the single Pd adatom because of a large number of nonequivalent diffusion processes. The heptamer can be the nucleus in the room temperature range according to nucleation theory

  6. 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.

  7. 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

  8. 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)

  9. COCOA code for creating mock observations of star cluster models

    Science.gov (United States)

    Askar, Abbas; Giersz, Mirek; Pych, Wojciech; Dalessandro, Emanuele

    2018-04-01

    We introduce and present results from the COCOA (Cluster simulatiOn Comparison with ObservAtions) code that has been developed to create idealized mock photometric observations using results from numerical simulations of star cluster evolution. COCOA is able to present the output of realistic numerical simulations of star clusters carried out using Monte Carlo or N-body codes in a way that is useful for direct comparison with photometric observations. In this paper, we describe the COCOA code and demonstrate its different applications by utilizing globular cluster (GC) models simulated with the MOCCA (MOnte Carlo Cluster simulAtor) code. COCOA is used to synthetically observe these different GC models with optical telescopes, perform point spread function photometry, and subsequently produce observed colour-magnitude diagrams. We also use COCOA to compare the results from synthetic observations of a cluster model that has the same age and metallicity as the Galactic GC NGC 2808 with observations of the same cluster carried out with a 2.2 m optical telescope. We find that COCOA can effectively simulate realistic observations and recover photometric data. COCOA has numerous scientific applications that maybe be helpful for both theoreticians and observers that work on star clusters. Plans for further improving and developing the code are also discussed in this paper.

  10. Alloy design as an inverse problem of cluster expansion models

    DEFF Research Database (Denmark)

    Larsen, Peter Mahler; Kalidindi, Arvind R.; Schmidt, Søren

    2017-01-01

    Central to a lattice model of an alloy system is the description of the energy of a given atomic configuration, which can be conveniently developed through a cluster expansion. Given a specific cluster expansion, the ground state of the lattice model at 0 K can be solved by finding the configurat......Central to a lattice model of an alloy system is the description of the energy of a given atomic configuration, which can be conveniently developed through a cluster expansion. Given a specific cluster expansion, the ground state of the lattice model at 0 K can be solved by finding...... the inverse problem in terms of energetically distinct configurations, using a constraint satisfaction model to identify constructible configurations, and show that a convex hull can be used to identify ground states. To demonstrate the approach, we solve for all ground states for a binary alloy in a 2D...

  11. One- and two-particle correlation functions in the dynamical quantum cluster approach

    International Nuclear Information System (INIS)

    Hochkeppel, Stephan

    2008-01-01

    This thesis is dedicated to a theoretical study of the 1-band Hubbard model in the strong coupling limit. The investigation is based on the Dynamical Cluster Approximation (DCA) which systematically restores non-local corrections to the Dynamical Mean Field approximation (DMFA). The DCA is formulated in momentum space and is characterised by a patching of the Brillouin zone where momentum conservation is only recovered between two patches. The approximation works well if k-space correlation functions show a weak momentum dependence. In order to study the temperature and doping dependence of the spin- and charge excitation spectra, we explicitly extend the Dynamical Cluster Approximation to two-particle response functions. The full irreducible two-particle vertex with three momenta and frequencies is approximated by an effective vertex dependent on the momentum and frequency of the spin and/or charge excitations. The effective vertex is calculated by using the Quantum Monte Carlo method on the finite cluster whereas the analytical continuation of dynamical quantities is performed by a stochastic version of the maximum entropy method. A comparison with high temperature auxiliary field quantum Monte Carlo data serves as a benchmark for our approach to two-particle correlation functions. Our method can reproduce basic characteristics of the spin- and charge excitation spectrum. Near and beyond optimal doping, our results provide a consistent overall picture of the interplay between charge, spin and single-particle excitations: a collective spin mode emerges at optimal doping and sufficiently low temperatures in the spin response spectrum and exhibits the energy scale of the magnetic exchange interaction J. Simultaneously, the low energy single-particle excitations are characterised by a coherent quasiparticle with bandwidth J. The origin of the quasiparticle can be quite well understood in a picture of a more or less antiferromagnetic ordered background in which holes

  12. Multicolor photometry of the merging galaxy cluster A2319: Dynamics and star formation properties

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Peng-Fei; Yuan, Qi-Rong [Department of Physics and Institute of Theoretical Physics, Nanjing Normal University, Nanjing 210023 (China); Zhang, Li [QuFu Education Bureau, QuFu 273100 (China); Zhou, Xu, E-mail: pfyan0822@sina.com, E-mail: yuanqirong@njnu.edu.cn [National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China)

    2014-05-01

    Asymmetric X-ray emission and a powerful cluster-scale radio halo indicate that A2319 is a merging cluster of galaxies. This paper presents our multicolor photometry for A2319 with 15 optical intermediate filters in the Beijing-Arizona-Taiwan-Connecticut (BATC) system. There are 142 galaxies with known spectroscopic redshifts within the viewing field of 58' × 58' centered on this rich cluster, including 128 member galaxies (called sample I). A large velocity dispersion in the rest frame, 1622{sub −70}{sup +91} km s{sup –1}, suggests merger dynamics in A2319. The contour map of projected density and localized velocity structure confirm the so-called A2319B substructure, at ∼10' northwest to the main concentration A2319A. The spectral energy distributions (SEDs) of more than 30,000 sources are obtained in our BATC photometry down to V ∼ 20 mag. A u-band (∼3551 Å) image with better seeing and spatial resolution, obtained with the Bok 2.3 m telescope at Kitt Peak, is taken to make star-galaxy separation and distinguish the overlapping contamination in the BATC aperture photometry. With color-color diagrams and photometric redshift technique, 233 galaxies brighter than h {sub BATC} = 19.0 are newly selected as member candidates after an exclusion of false candidates with contaminated BATC SEDs by eyeball-checking the u-band Bok image. The early-type galaxies are found to follow a tight color-magnitude correlation. Based on sample I and the enlarged sample of member galaxies (called sample II), subcluster A2319B is confirmed. The star formation properties of cluster galaxies are derived with the evolutionary synthesis model, PEGASE, assuming a Salpeter initial mass function and an exponentially decreasing star formation rate (SFR). A strong environmental effect on star formation histories is found in the manner that galaxies in the sparse regions have various star formation histories, while galaxies in the dense regions are found to have

  13. Hybrid dynamics for currency modeling

    OpenAIRE

    Theodosopoulos, Ted; Trifunovic, Alex

    2006-01-01

    We present a simple hybrid dynamical model as a tool to investigate behavioral strategies based on trend following. The multiplicative symbolic dynamics are generated using a lognormal diffusion model for the at-the-money implied volatility term structure. Thus, are model exploits information from derivative markets to obtain qualititative properties of the return distribution for the underlier. We apply our model to the JPY-USD exchange rate and the corresponding 1mo., 3mo., 6mo. and 1yr. im...

  14. Prediction of line failure fault based on weighted fuzzy dynamic clustering and improved relational analysis

    Science.gov (United States)

    Meng, Xiaocheng; Che, Renfei; Gao, Shi; He, Juntao

    2018-04-01

    With the advent of large data age, power system research has entered a new stage. At present, the main application of large data in the power system is the early warning analysis of the power equipment, that is, by collecting the relevant historical fault data information, the system security is improved by predicting the early warning and failure rate of different kinds of equipment under certain relational factors. In this paper, a method of line failure rate warning is proposed. Firstly, fuzzy dynamic clustering is carried out based on the collected historical information. Considering the imbalance between the attributes, the coefficient of variation is given to the corresponding weights. And then use the weighted fuzzy clustering to deal with the data more effectively. Then, by analyzing the basic idea and basic properties of the relational analysis model theory, the gray relational model is improved by combining the slope and the Deng model. And the incremental composition and composition of the two sequences are also considered to the gray relational model to obtain the gray relational degree between the various samples. The failure rate is predicted according to the principle of weighting. Finally, the concrete process is expounded by an example, and the validity and superiority of the proposed method are verified.

  15. Embedded Cluster Models for Reactivity of the Hydrated Electron

    Czech Academy of Sciences Publication Activity Database

    Uhlig, Frank; Jungwirth, Pavel

    2013-01-01

    Roč. 227, č. 11 (2013), s. 1583-1593 ISSN 0942-9352 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : hydrated electron * clusters * reactivity * ab initio molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.178, year: 2013

  16. Modeling of correlated data with informative cluster sizes: An evaluation of joint modeling and within-cluster resampling approaches.

    Science.gov (United States)

    Zhang, Bo; Liu, Wei; Zhang, Zhiwei; Qu, Yanping; Chen, Zhen; Albert, Paul S

    2017-08-01

    Joint modeling and within-cluster resampling are two approaches that are used for analyzing correlated data with informative cluster sizes. Motivated by a developmental toxicity study, we examined the performances and validity of these two approaches in testing covariate effects in generalized linear mixed-effects models. We show that the joint modeling approach is robust to the misspecification of cluster size models in terms of Type I and Type II errors when the corresponding covariates are not included in the random effects structure; otherwise, statistical tests may be affected. We also evaluate the performance of the within-cluster resampling procedure and thoroughly investigate the validity of it in modeling correlated data with informative cluster sizes. We show that within-cluster resampling is a valid alternative to joint modeling for cluster-specific covariates, but it is invalid for time-dependent covariates. The two methods are applied to a developmental toxicity study that investigated the effect of exposure to diethylene glycol dimethyl ether.

  17. Old star clusters: Bench tests of low mass stellar models

    Directory of Open Access Journals (Sweden)

    Salaris M.

    2013-03-01

    Full Text Available Old star clusters in the Milky Way and external galaxies have been (and still are traditionally used to constrain the age of the universe and the timescales of galaxy formation. A parallel avenue of old star cluster research considers these objects as bench tests of low-mass stellar models. This short review will highlight some recent tests of stellar evolution models that make use of photometric and spectroscopic observations of resolved old star clusters. In some cases these tests have pointed to additional physical processes efficient in low-mass stars, that are not routinely included in model computations. Moreover, recent results from the Kepler mission about the old open cluster NGC6791 are adding new tight constraints to the models.

  18. Alpha cluster model and spectrum of 16O

    International Nuclear Information System (INIS)

    Bauhoff, W.; Schultheis, H.; Schultheis, R.

    1983-01-01

    The structure of 16 O is studied in the alpha cluster model with parity and angular-momentum projection for several nucleon-nucleon interactions. The method differs from previous studies in that the states of positive and negative parity are determined without the customary restriction of the variational space to cluster positions with certain assumed symmetries. It is demonstrated that the alpha cluster model of 16 O is capable of explaining most of the experimental T = O levels up to about 15 MeV excitation. A shell-model analysis of the excited cluster-model states shows the necessity of including a very large number of shells. The evidence for the recently proposed tetrahedral symmetry of some excited states is also discussed

  19. 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.

  20. Cluster-cluster clustering

    International Nuclear Information System (INIS)

    Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C.S.; Yale Univ., New Haven, CT; California Univ., Santa Barbara; Cambridge Univ., England; Sussex Univ., Brighton, England)

    1985-01-01

    The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales. 30 references

  1. Structure and dynamics of ion clusters in linear octupole traps: Phase diagrams, chirality, and melting mechanisms

    International Nuclear Information System (INIS)

    Yurtsever, E.; Onal, E. D.; Calvo, F.

    2011-01-01

    The stable structures and melting dynamics of clusters of identical ions bound by linear octupole radiofrequency traps are theoretically investigated by global optimization methods and molecular dynamics simulations. By varying the cluster sizes in the range of 10-1000 ions and the extent of trap anisotropy by more than one order of magnitude, we find a broad variety of stable structures based on multiple rings at small sizes evolving into tubular geometries at large sizes. The binding energy of these clusters is well represented by two contributions arising from isotropic linear and octupolar traps. The structures generally exhibit strong size effects, and chiral arrangements spontaneously emerge in many crystals. Sufficiently large clusters form nested, coaxial tubes with different thermal stabilities. As in isotropic octupolar clusters, the inner tubes melt at temperatures that are lower than the overall melting point.

  2. 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.

  3. Clustering of European winter storms: A multi-model perspective

    Science.gov (United States)

    Renggli, Dominik; Buettner, Annemarie; Scherb, Anke; Straub, Daniel; Zimmerli, Peter

    2016-04-01

    The storm series over Europe in 1990 (Daria, Vivian, Wiebke, Herta) and 1999 (Anatol, Lothar, Martin) are very well known. Such clusters of severe events strongly affect the seasonally accumulated damage statistics. The (re)insurance industry has quantified clustering by using distribution assumptions deduced from the historical storm activity of the last 30 to 40 years. The use of storm series simulated by climate models has only started recently. Climate model runs can potentially represent 100s to 1000s of years, allowing a more detailed quantification of clustering than the history of the last few decades. However, it is unknown how sensitive the representation of clustering is to systematic biases. Using a multi-model ensemble allows quantifying that uncertainty. This work uses CMIP5 decadal ensemble hindcasts to study clustering of European winter storms from a multi-model perspective. An objective identification algorithm extracts winter storms (September to April) in the gridded 6-hourly wind data. Since the skill of European storm predictions is very limited on the decadal scale, the different hindcast runs are interpreted as independent realizations. As a consequence, the available hindcast ensemble represents several 1000 simulated storm seasons. The seasonal clustering of winter storms is quantified using the dispersion coefficient. The benchmark for the decadal prediction models is the 20th Century Reanalysis. The decadal prediction models are able to reproduce typical features of the clustering characteristics observed in the reanalysis data. Clustering occurs in all analyzed models over the North Atlantic and European region, in particular over Great Britain and Scandinavia as well as over Iberia (i.e. the exit regions of the North Atlantic storm track). Clustering is generally weaker in the models compared to reanalysis, although the differences between different models are substantial. In contrast to existing studies, clustering is driven by weak

  4. Ultrafast relaxation dynamics of electrons in Au clusters capped with dodecanethiol molecules

    International Nuclear Information System (INIS)

    Hamanaka, Y.; Fukagawa, K.; Tai, Y.; Murakami, J.; Nakamura, A.

    2006-01-01

    We have investigated electron relaxation dynamics of size-selected Au clusters capped by dodecanethiol molecules in the cluster sizes of 28-142 atoms using femtosecond pump-probe spectroscopy. Absorption spectra of 28-71-atom clusters show discrete peaks due to the optical transitions between quantized states, while an absorption band due to the surface plasmon is observed in 142-atom clusters. In the differential absorption spectra measured by the pump-probe experiments, a large redshift of 140 meV lasting over 10 ps and absorption bleaching decaying within 2 ps are observed at the absorption peaks of 28-atom clusters. The redshift is ascribed to a charge transfer between Au clusters and dodecanethiol molecules adsorbed on the cluster surface, and the bleaching is due to blocking of the optical transitions between the ground state and the occupied electronic states due to the Pauli's-exclusion principle. Such behavior is in contrast to the 142-atom clusters, where the cooling of hot electrons generated by photo-excitation determines the relaxation dynamics. These results indicate molecular properties of the 28-atom Au cluster-dodecanethiol system

  5. Calculations of Helium Bubble Evolution in the PISCES Experiments with Cluster Dynamics

    Science.gov (United States)

    Blondel, Sophie; Younkin, Timothy; Wirth, Brian; Lasa, Ane; Green, David; Canik, John; Drobny, Jon; Curreli, Davide

    2017-10-01

    Plasma surface interactions in fusion tokamak reactors involve an inherently multiscale, highly non-equilibrium set of phenomena, for which current models are inadequate to predict the divertor response to and feedback on the plasma. In this presentation, we describe the latest code developments of Xolotl, a spatially-dependent reaction diffusion cluster dynamics code to simulate the divertor surface response to fusion-relevant plasma exposure. Xolotl is part of a code-coupling effort to model both plasma and material simultaneously; the first benchmark for this effort is the series of PISCES linear device experiments. We will discuss the processes leading to surface morphology changes, which further affect erosion, as well as how Xolotl has been updated in order to communicate with other codes. Furthermore, we will show results of the sub-surface evolution of helium bubbles in tungsten as well as the material surface displacement under these conditions.

  6. CLUSTERS AS A MODEL OF ECONOMIC DEVELOPMENT OF SERBIA

    Directory of Open Access Journals (Sweden)

    Marko Laketa

    2013-12-01

    Full Text Available Insufficient competitiveness of small and medium enterprises in Serbia can be significantly improved by a system of business associations through clusters, business incubators and technology parks. This connection contributes to the growth and development of not only the cluster members, but has a regional and national dimension as well because without it there is no significant breakthrough on the international market. The process of association of small and medium enterprises in clusters and other forms of interconnection in Serbia is far from the required and potential level.The awareness on the importance of clusters in a local economic development through contributions to the advancement of small and medium sized enterprises is not yet sufficiently mature. Support to associating into clusters and usage of their benefits after the model of highly developed countries is the basis for leading a successful economic policy and in Serbia there are all necessary prerequisites for it.

  7. Computer Modelling of Dynamic Processes

    Directory of Open Access Journals (Sweden)

    B. Rybakin

    2000-10-01

    Full Text Available Results of numerical modeling of dynamic problems are summed in the article up. These problems are characteristic for various areas of human activity, in particular for problem solving in ecology. The following problems are considered in the present work: computer modeling of dynamic effects on elastic-plastic bodies, calculation and determination of performances of gas streams in gas cleaning equipment, modeling of biogas formation processes.

  8. 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

  9. 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.

  10. Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu [Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003-9303 (United States); Hammond, Karl D. [Department of Chemical Engineering, University of Missouri, Columbia, Missouri 65211 (United States); Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-10-28

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

  11. Modeling the formation of globular cluster systems in the Virgo cluster

    International Nuclear Information System (INIS)

    Li, Hui; Gnedin, Oleg Y.

    2014-01-01

    The mass distribution and chemical composition of globular cluster (GC) systems preserve fossil record of the early stages of galaxy formation. The observed distribution of GC colors within massive early-type galaxies in the ACS Virgo Cluster Survey (ACSVCS) reveals a multi-modal shape, which likely corresponds to a multi-modal metallicity distribution. We present a simple model for the formation and disruption of GCs that aims to match the ACSVCS data. This model tests the hypothesis that GCs are formed during major mergers of gas-rich galaxies and inherit the metallicity of their hosts. To trace merger events, we use halo merger trees extracted from a large cosmological N-body simulation. We select 20 halos in the mass range of 2 × 10 12 to 7 × 10 13 M ☉ and match them to 19 Virgo galaxies with K-band luminosity between 3 × 10 10 and 3 × 10 11 L ☉ . To set the [Fe/H] abundances, we use an empirical galaxy mass-metallicity relation. We find that a minimal merger ratio of 1:3 best matches the observed cluster metallicity distribution. A characteristic bimodal shape appears because metal-rich GCs are produced by late mergers between massive halos, while metal-poor GCs are produced by collective merger activities of less massive hosts at early times. The model outcome is robust to alternative prescriptions for cluster formation rate throughout cosmic time, but a gradual evolution of the mass-metallicity relation with redshift appears to be necessary to match the observed cluster metallicities. We also affirm the age-metallicity relation, predicted by an earlier model, in which metal-rich clusters are systematically several billion younger than their metal-poor counterparts.

  12. Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

    Science.gov (United States)

    Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

    2015-10-01

    Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

  13. Modeling familial clustered breast cancer using published data

    NARCIS (Netherlands)

    Jonker, MA; Jacobi, CE; Hoogendoorn, WE; Nagelkerke, NJD; de Bock, GH; van Houwelingen, JC

    2003-01-01

    The purpose of this research was to model the familial clustering of breast cancer and to provide an accurate risk estimate for individuals from the general population, based on their family history of breast and ovarian cancer. We constructed a genetic model as an extension of a model by Claus et

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

    Energy Technology Data Exchange (ETDEWEB)

    Derakhshani, Kamran, E-mail: kderakhshani@iasbs.ac.ir [Institute for Advanced Studies in Basic Sciences, P. O. Box 45195-1159 Zanjan (Iran, Islamic Republic of)

    2014-03-01

    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{sup 2} of surface brightness and velocity dispersion.

  15. 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.

  16. Quantitative properties of clustering within modern microscopic nuclear models

    International Nuclear Information System (INIS)

    Volya, A.; Tchuvil’sky, Yu. M.

    2016-01-01

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

  17. A Clustered Extragalactic Foreground Model for the EoR

    Science.gov (United States)

    Murray, S. G.; Trott, C. M.; Jordan, C. H.

    2018-05-01

    We review an improved statistical model of extra-galactic point-source foregrounds first introduced in Murray et al. (2017), in the context of the Epoch of Reionization. This model extends the instrumentally-convolved foreground covariance used in inverse-covariance foreground mitigation schemes, by considering the cosmological clustering of the sources. In this short work, we show that over scales of k ~ (0.6, 40.)hMpc-1, ignoring source clustering is a valid approximation. This is in contrast to Murray et al. (2017), who found a possibility of false detection if the clustering was ignored. The dominant cause for this change is the introduction of a Galactic synchrotron component which shadows the clustering of sources.

  18. Dynamical entropy, quantum K-systems and clustering

    International Nuclear Information System (INIS)

    Narnhofer, H.

    1989-01-01

    The two possibilities to define a quantum K-system, either using algebraic relations or using properties of the dynamical entropy, are compared. It is shown that under the additional assumption of strong asymptotic abelianess the algebraic relations imply the properties of the dynamical entropy. 14 refs. (Author)

  19. Structural dynamic modifications via models

    Indian Academy of Sciences (India)

    The study shows that as many as half of the matrix ... the dynamicist's analytical modelling skill which would appear both in the numerator as. Figure 2. ..... Brandon J A 1990 Strategies for structural dynamic modification (New York: John Wiley).

  20. Dynamic programming models and applications

    CERN Document Server

    Denardo, Eric V

    2003-01-01

    Introduction to sequential decision processes covers use of dynamic programming in studying models of resource allocation, methods for approximating solutions of control problems in continuous time, production control, more. 1982 edition.

  1. Assessing clustering strategies for Gaussian mixture filtering a subsurface contaminant model

    KAUST Repository

    Liu, Bo

    2016-02-03

    An ensemble-based Gaussian mixture (GM) filtering framework is studied in this paper in term of its dependence on the choice of the clustering method to construct the GM. In this approach, a number of particles sampled from the posterior distribution are first integrated forward with the dynamical model for forecasting. A GM representation of the forecast distribution is then constructed from the forecast particles. Once an observation becomes available, the forecast GM is updated according to Bayes’ rule. This leads to (i) a Kalman filter-like update of the particles, and (ii) a Particle filter-like update of their weights, generalizing the ensemble Kalman filter update to non-Gaussian distributions. We focus on investigating the impact of the clustering strategy on the behavior of the filter. Three different clustering methods for constructing the prior GM are considered: (i) a standard kernel density estimation, (ii) clustering with a specified mixture component size, and (iii) adaptive clustering (with a variable GM size). Numerical experiments are performed using a two-dimensional reactive contaminant transport model in which the contaminant concentration and the heterogenous hydraulic conductivity fields are estimated within a confined aquifer using solute concentration data. The experimental results suggest that the performance of the GM filter is sensitive to the choice of the GM model. In particular, increasing the size of the GM does not necessarily result in improved performances. In this respect, the best results are obtained with the proposed adaptive clustering scheme.

  2. Photoelectron imaging, probe of the dynamics: from atoms... to clusters

    International Nuclear Information System (INIS)

    Lepine, F.

    2003-06-01

    This thesis concerns the study of the deexcitation of clusters and atoms by photoelectron imaging. The first part is dedicated to thermionic emission of a finite size system. A 3-dimensional imaging setup allows us to measure the time evolution of the kinetic energy spectrum of electrons emitted from different clusters (W n - , C n - , C 60 ). Then we have a direct access to the fundamental quantities which characterize this statistical emission: the temperature of the finite heat bath and the decay rate. The second part concerns the ionization of atomic Rydberg states placed in a static electric field. We performed the first experiment of photoionization microscopy which allows us to obtain a picture which is the macroscopic projection of the electronic wave function. Then we have access to the detail of the photoionization and particularly to the quantum properties of the electron usually confined at the atomic scale. (author)

  3. 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.

  4. Dynamical models of the Galaxy

    Directory of Open Access Journals (Sweden)

    McMillan P.J.

    2012-02-01

    Full Text Available I discuss the importance of dynamical models for exploiting survey data, focusing on the advantages of “torus” models. I summarize a number of applications of these models to the study of the Milky Way, including the determination of the peculiar Solar velocity and investigation of the Hyades moving group.

  5. Electromagnetic properties of 6Li in a cluster model with breathing clusters

    International Nuclear Information System (INIS)

    Kruppa, A.T.; Beck, R.; Dickmann, F.

    1987-01-01

    Electromagnetic properties of 6 Li are studied using a microscopic (α+δ) cluster model. In addition to the ground state of the clusters, their breathing excited states are included in the wave function in order to take into account the distortion of the clusters. The elastic charge form factor is in good agreement with experiment up to a momentum transfer of 8 fm -2 . The ground state magnetic form factor and the inelastic charge form factor are also well described. The effect of the breathing states of α on the form factors proves to be negligible except at high momentum transfer. The ground-state charge density, rms charge radius, the magnetic dipole moment and a reduced transition strength are also obtained in fair agreement with experiment. (author)

  6. Application of Fuzzy Clustering in Modeling of a Water Hydraulics System

    DEFF Research Database (Denmark)

    Zhou, Jianjun; Kroszynski, Uri

    2000-01-01

    This article presents a case study of applying fuzzy modeling techniques for a water hydraulics system. The obtained model is intended to provide a basis for model-based control of the system. Fuzzy clustering is used for classifying measured input-output data points into partitions. The fuzzy...... model is extracted from the obtained partitions. The identified model has been evaluated by comparing measurements with simulation results. The evaluation shows that the identified model is capable of describing the system dynamics over a reasonably wide frequency range....

  7. EVOLUTION AND DISTRIBUTION OF MAGNETIC FIELDS FROM ACTIVE GALACTIC NUCLEI IN GALAXY CLUSTERS. II. THE EFFECTS OF CLUSTER SIZE AND DYNAMICAL STATE

    International Nuclear Information System (INIS)

    Xu Hao; Li Hui; Collins, David C.; Li, Shengtai; Norman, Michael L.

    2011-01-01

    Theory and simulations suggest that magnetic fields from radio jets and lobes powered by their central super massive black holes can be an important source of magnetic fields in the galaxy clusters. This is Paper II in a series of studies where we present self-consistent high-resolution adaptive mesh refinement cosmological magnetohydrodynamic simulations that simultaneously follow the formation of a galaxy cluster and evolution of magnetic fields ejected by an active galactic nucleus. We studied 12 different galaxy clusters with virial masses ranging from 1 x 10 14 to 2 x 10 15 M sun . In this work, we examine the effects of the mass and merger history on the final magnetic properties. We find that the evolution of magnetic fields is qualitatively similar to those of previous studies. In most clusters, the injected magnetic fields can be transported throughout the cluster and be further amplified by the intracluster medium (ICM) turbulence during the cluster formation process with hierarchical mergers, while the amplification history and the magnetic field distribution depend on the cluster formation and magnetism history. This can be very different for different clusters. The total magnetic energies in these clusters are between 4 x 10 57 and 10 61 erg, which is mainly decided by the cluster mass, scaling approximately with the square of the total mass. Dynamically older relaxed clusters usually have more magnetic fields in their ICM. The dynamically very young clusters may be magnetized weakly since there is not enough time for magnetic fields to be amplified.

  8. Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

    International Nuclear Information System (INIS)

    Imran, Muhammad; Hussain, Fayyaz; Ullah, Hafeez; Ahmad, Ejaz; Rashid, Muhammad; Ismail, Muhammad; Cai, Yongqing; Javid, M Arshad; Ahmad, S A

    2016-01-01

    Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results. (paper)

  9. GENERALISED MODEL BASED CONFIDENCE INTERVALS IN TWO STAGE CLUSTER SAMPLING

    Directory of Open Access Journals (Sweden)

    Christopher Ouma Onyango

    2010-09-01

    Full Text Available Chambers and Dorfman (2002 constructed bootstrap confidence intervals in model based estimation for finite population totals assuming that auxiliary values are available throughout a target population and that the auxiliary values are independent. They also assumed that the cluster sizes are known throughout the target population. We now extend to two stage sampling in which the cluster sizes are known only for the sampled clusters, and we therefore predict the unobserved part of the population total. Jan and Elinor (2008 have done similar work, but unlike them, we use a general model, in which the auxiliary values are not necessarily independent. We demonstrate that the asymptotic properties of our proposed estimator and its coverage rates are better than those constructed under the model assisted local polynomial regression model.

  10. Modelling Market Dynamics with a "Market Game"

    Science.gov (United States)

    Katahira, Kei; Chen, Yu

    In the financial market, traders, especially speculators, typically behave as to yield capital gains by the difference between selling and buying prices. Making use of the structure of Minority Game, we build a novel market toy model which takes account of such the speculative mind involving a round-trip trade to analyze the market dynamics as a system. Even though the micro-level behavioral rules of players in this new model is quite simple, its macroscopic aggregational output has the reproducibility of the well-known stylized facts such as volatility clustering and heavy tails. The proposed model may become a new alternative bottom-up approach in order to study the emerging mechanism of those stylized qualitative properties of asset returns.

  11. Influence of system temperature on the micro-structures and dynamics of dust clusters in dusty plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Song, Y. L.; Huang, F., E-mail: huangfeng@cau.edu.cn [College of Science, China Agricultural University, Beijing 100083 (China); He, Y. F.; Wu, L. [College of Information and Electrical Engineering, China Agricultural University, Beijing 100083 (China); Liu, Y. H. [School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025 (China); Chen, Z. Y. [Department of Physics, Beijing University of Chemical Technology, Beijing 100029 (China); Yu, M. Y. [Institute for Fusion Theory and Simulation, Zhejiang University, Hangzhou 310027 (China); Institute for Theoretical Physics I, Ruhr University, D-44801 Bochum (Germany)

    2015-06-15

    Influence of the system temperature on the micro-structures and dynamics of dust clusters in dusty plasmas is investigated through laboratory experiment and molecular dynamics simulation. The micro-structures, defect numbers, and pair correlation function of the dust clusters are studied for different system temperatures. The dust grains' trajectories, the mean square displacement, and the corresponding self-diffusion coefficient of the clusters are calculated for different temperatures for illustrating the phase properties of the dust clusters. The simulation results confirm that with the increase in system temperature, the micro-structures and dynamics of dust clusters are gradually changed, which qualitatively agree with experimental results.

  12. On dynamical evolution of the bright star subsystem in the Orion Sword cluster

    International Nuclear Information System (INIS)

    Dolgachev, V.P.; Kalinina, E.P.; Kholopov, P.N.

    1989-01-01

    With the help of numerical integration of the system of ordinary differential equations of the 102nd order, a possible dynamical evolution of the subsystem of 17 brightest stars in the Orion Sword open cluster has been examined in the interval of 20,1x10 6 years. In the process of transition through the region occupied by the cluster core taking place with a ''cycle'' of about 7 million years, the brightest stars of the cluster begin to concentrate mostly in the core region. Some of them acquire motions along elongated orbits, remaining during a long time in the limits of the cluster's corona, while one of stars is thrown away from the cluster with the hyperbolic velocity. Moreover, two wide pairs of stars are originating, which are analogous to those observed in the galactic field

  13. Variational cluster perturbation theory for Bose-Hubbard models

    International Nuclear Information System (INIS)

    Koller, W; Dupuis, N

    2006-01-01

    We discuss the application of the variational cluster perturbation theory (VCPT) to the Mott-insulator-to-superfluid transition in the Bose-Hubbard model. We show how the VCPT can be formulated in such a way that it gives a translation invariant excitation spectrum-free of spurious gaps-despite the fact that it formally breaks translation invariance. The phase diagram and the single-particle Green function in the insulating phase are obtained for one-dimensional systems. When the chemical potential of the cluster is taken as a variational parameter, the VCPT reproduces the dimensional dependence of the phase diagram even for one-site clusters. We find a good quantitative agreement with the results of the density-matrix renormalization group when the number of sites in the cluster becomes of order 10. The extension of the method to the superfluid phase is discussed

  14. A Collaboration Service Model for a Global Port Cluster

    Directory of Open Access Journals (Sweden)

    Keith K.T. Toh

    2010-03-01

    Full Text Available The importance of port clusters to a global city may be viewed from a number of perspectives. The development of port clusters and economies of agglomeration and their contribution to a regional economy is underpinned by information and physical infrastructure that facilitates collaboration between business entities within the cluster. The maturity of technologies providing portals, web and middleware services provides an opportunity to push the boundaries of contemporary service reference models and service catalogues to what the authors propose to be "collaboration services". Servicing port clusters, portal engineers of the future must consider collaboration services to benefit a region. Particularly, service orchestration through a "public user portal" must gain better utilisation of publically owned infrastructure, to share knowledge and collaborate among organisations through information systems.

  15. RETRAN dynamic slip model

    International Nuclear Information System (INIS)

    McFadden, J.H.; Paulsen, M.P.; Gose, G.C.

    1981-01-01

    A time dependent equation for the slip velocity in a two-phase flow condition has been incorporated into a developmental version of the RETRAN computer code. This model addition has been undertaken to remove a limitation in RETRAN-01 associated with the homogeneous equilibrium mixture model. In this paper, the development of the slip model is summarized and the corresponding constitutive equations are discussed. Comparisons of RETRAN analyses with steady-state void fraction data and data from the Semiscale S-02-6 small break test are also presented

  16. Fuzzy Clustering Methods and their Application to Fuzzy Modeling

    DEFF Research Database (Denmark)

    Kroszynski, Uri; Zhou, Jianjun

    1999-01-01

    Fuzzy modeling techniques based upon the analysis of measured input/output data sets result in a set of rules that allow to predict system outputs from given inputs. Fuzzy clustering methods for system modeling and identification result in relatively small rule-bases, allowing fast, yet accurate....... An illustrative synthetic example is analyzed, and prediction accuracy measures are compared between the different variants...

  17. Modeling Propellant Tank Dynamics

    Data.gov (United States)

    National Aeronautics and Space Administration — The main objective of my work will be to develop accurate models of self-pressurizing propellant tanks for use in designing hybrid rockets. The first key goal is to...

  18. Mathematical modelling of complex contagion on clustered networks

    Science.gov (United States)

    O'sullivan, David J.; O'Keeffe, Gary; Fennell, Peter; Gleeson, James

    2015-09-01

    The spreading of behavior, such as the adoption of a new innovation, is influenced bythe structure of social networks that interconnect the population. In the experiments of Centola (Science, 2010), adoption of new behavior was shown to spread further and faster across clustered-lattice networks than across corresponding random networks. This implies that the “complex contagion” effects of social reinforcement are important in such diffusion, in contrast to “simple” contagion models of disease-spread which predict that epidemics would grow more efficiently on random networks than on clustered networks. To accurately model complex contagion on clustered networks remains a challenge because the usual assumptions (e.g. of mean-field theory) regarding tree-like networks are invalidated by the presence of triangles in the network; the triangles are, however, crucial to the social reinforcement mechanism, which posits an increased probability of a person adopting behavior that has been adopted by two or more neighbors. In this paper we modify the analytical approach that was introduced by Hebert-Dufresne et al. (Phys. Rev. E, 2010), to study disease-spread on clustered networks. We show how the approximation method can be adapted to a complex contagion model, and confirm the accuracy of the method with numerical simulations. The analytical results of the model enable us to quantify the level of social reinforcement that is required to observe—as in Centola’s experiments—faster diffusion on clustered topologies than on random networks.

  19. Mathematical modelling of complex contagion on clustered networks

    Directory of Open Access Journals (Sweden)

    David J. P. O'Sullivan

    2015-09-01

    Full Text Available The spreading of behavior, such as the adoption of a new innovation, is influenced bythe structure of social networks that interconnect the population. In the experiments of Centola (Science, 2010, adoption of new behavior was shown to spread further and faster across clustered-lattice networks than across corresponding random networks. This implies that the complex contagion effects of social reinforcement are important in such diffusion, in contrast to simple contagion models of disease-spread which predict that epidemics would grow more efficiently on random networks than on clustered networks. To accurately model complex contagion on clustered networks remains a challenge because the usual assumptions (e.g. of mean-field theory regarding tree-like networks are invalidated by the presence of triangles in the network; the triangles are, however, crucial to the social reinforcement mechanism, which posits an increased probability of a person adopting behavior that has been adopted by two or more neighbors. In this paper we modify the analytical approach that was introduced by Hebert-Dufresne et al. (Phys. Rev. E, 2010, to study disease-spread on clustered networks. We show how the approximation method can be adapted to a complex contagion model, and confirm the accuracy of the method with numerical simulations. The analytical results of the model enable us to quantify the level of social reinforcement that is required to observe—as in Centola’s experiments—faster diffusion on clustered topologies than on random networks.

  20. Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses

    Science.gov (United States)

    Kumagai, Yoshiaki; Jurek, Zoltan; Xu, Weiqing; Fukuzawa, Hironobu; Motomura, Koji; Iablonskyi, Denys; Nagaya, Kiyonobu; Wada, Shin-ichi; Mondal, Subhendu; Tachibana, Tetsuya; Ito, Yuta; Sakai, Tsukasa; Matsunami, Kenji; Nishiyama, Toshiyuki; Umemoto, Takayuki; Nicolas, Christophe; Miron, Catalin; Togashi, Tadashi; Ogawa, Kanade; Owada, Shigeki; Tono, Kensuke; Yabashi, Makina; Son, Sang-Kil; Ziaja, Beata; Santra, Robin; Ueda, Kiyoshi

    2018-06-01

    We show that electron and ion spectroscopy reveals the details of the oligomer formation in Ar clusters exposed to an x-ray free electron laser (XFEL) pulse, i.e., chemical dynamics triggered by x rays. With guidance from a dedicated molecular dynamics simulation tool, we find that van der Waals bonding, the oligomer formation mechanism, and charge transfer among the cluster constituents significantly affect ionization dynamics induced by an XFEL pulse of moderate fluence. Our results clearly demonstrate that XFEL pulses can be used not only to "damage and destroy" molecular assemblies but also to modify and transform their molecular structure. The accuracy of the predictions obtained makes it possible to apply the cluster spectroscopy, in connection with the respective simulations, for estimation of the XFEL pulse fluence in the fluence regime below single-atom multiple-photon absorption, which is hardly accessible with other diagnostic tools.

  1. 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.

  2. Soft and diffractive scattering with the cluster model in Herwig

    Energy Technology Data Exchange (ETDEWEB)

    Gieseke, Stefan; Loshaj, Frasher; Kirchgaesser, Patrick [Karlsruhe Institute of Technology, Institute for Theoretical Physics, Karlsruhe (Germany)

    2017-03-15

    We present a new model for soft interactions in the event-generator Herwig. The model consists of two components. One to model diffractive final states on the basis of the cluster hadronization model and a second component that addresses soft multiple interactions as multiple particle production in multiperipheral kinematics. We present much improved results for minimum-bias measurements at various LHC energies. (orig.)

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

    Science.gov (United States)

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

    2017-06-01

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

  4. Modelling group dynamic animal movement

    DEFF Research Database (Denmark)

    Langrock, Roland; Hopcraft, J. Grant C.; Blackwell, Paul G.

    2014-01-01

    makes its movement decisions relative to the group centroid. The basic idea is framed within the flexible class of hidden Markov models, extending previous work on modelling animal movement by means of multi-state random walks. While in simulation experiments parameter estimators exhibit some bias......, to date, practical statistical methods which can include group dynamics in animal movement models have been lacking. We consider a flexible modelling framework that distinguishes a group-level model, describing the movement of the group's centre, and an individual-level model, such that each individual......Group dynamic movement is a fundamental aspect of many species' movements. The need to adequately model individuals' interactions with other group members has been recognised, particularly in order to differentiate the role of social forces in individual movement from environmental factors. However...

  5. Modeling Internet Topology Dynamics

    NARCIS (Netherlands)

    Haddadi, H.; Uhlig, S.; Moore, A.; Mortier, R.; Rio, M.

    Despite the large number of papers on network topology modeling and inference, there still exists ambiguity about the real nature of the Internet AS and router level topology. While recent findings have illustrated the inaccuracies in maps inferred from BGP peering and traceroute measurements,

  6. Generative Models of Conformational Dynamics

    OpenAIRE

    Langmead, Christopher James

    2014-01-01

    Atomistic simulations of the conformational dynamics of proteins can be performed using either Molecular Dynamics or Monte Carlo procedures. The ensembles of three-dimensional structures produced during simulation can be analyzed in a number of ways to elucidate the thermodynamic and kinetic properties of the system. The goal of this chapter is to review both traditional and emerging methods for learning generative models from atomistic simulation data. Here, the term ‘generative’ refers to a...

  7. 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.

  8. Cavitation cluster dynamics in shock-wave lithotripsy: Part I

    NARCIS (Netherlands)

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

    2005-01-01

    The spatiotemporal dynamics of cavitation bubble growth and collapse in shock-wave lithotripsy in a free field was studied experimentally. The lithotripter was equipped with two independently triggerable layers of piezoceramics. The front and back layers generated positive pressure amplitudes of 30

  9. RSAT matrix-clustering: dynamic exploration and redundancy reduction of transcription factor binding motif collections.

    Science.gov (United States)

    Castro-Mondragon, Jaime Abraham; Jaeger, Sébastien; Thieffry, Denis; Thomas-Chollier, Morgane; van Helden, Jacques

    2017-07-27

    Transcription factor (TF) databases contain multitudes of binding motifs (TFBMs) from various sources, from which non-redundant collections are derived by manual curation. The advent of high-throughput methods stimulated the production of novel collections with increasing numbers of motifs. Meta-databases, built by merging these collections, contain redundant versions, because available tools are not suited to automatically identify and explore biologically relevant clusters among thousands of motifs. Motif discovery from genome-scale data sets (e.g. ChIP-seq) also produces redundant motifs, hampering the interpretation of results. We present matrix-clustering, a versatile tool that clusters similar TFBMs into multiple trees, and automatically creates non-redundant TFBM collections. A feature unique to matrix-clustering is its dynamic visualisation of aligned TFBMs, and its capability to simultaneously treat multiple collections from various sources. We demonstrate that matrix-clustering considerably simplifies the interpretation of combined results from multiple motif discovery tools, and highlights biologically relevant variations of similar motifs. We also ran a large-scale application to cluster ∼11 000 motifs from 24 entire databases, showing that matrix-clustering correctly groups motifs belonging to the same TF families, and drastically reduced motif redundancy. matrix-clustering is integrated within the RSAT suite (http://rsat.eu/), accessible through a user-friendly web interface or command-line for its integration in pipelines. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  10. Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

    Science.gov (United States)

    Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

    2018-04-01

    In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

  11. 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.)

  12. Fuzzy Modeled K-Cluster Quality Mining of Hidden Knowledge for Decision Support

    OpenAIRE

    S. Parkash  Kumar; K. S. Ramaswami

    2011-01-01

    Problem statement: The work presented Fuzzy Modeled K-means Cluster Quality Mining of hidden knowledge for Decision Support. Based on the number of clusters, number of objects in each cluster and its cohesiveness, precision and recall values, the cluster quality metrics is measured. The fuzzy k-means is adapted approach by using heuristic method which iterates the cluster to form an efficient valid cluster. With the obtained data clusters, quality assessment is made by predictive mining using...

  13. 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

  14. Vehicle dynamics modeling and simulation

    CERN Document Server

    Schramm, Dieter; Bardini, Roberto

    2014-01-01

    The authors examine in detail the fundamentals and mathematical descriptions of the dynamics of automobiles. In this context different levels of complexity will be presented, starting with basic single-track models up to complex three-dimensional multi-body models. A particular focus is on the process of establishing mathematical models on the basis of real cars and the validation of simulation results. The methods presented are explained in detail by means of selected application scenarios.

  15. Static and dynamic properties of two-dimensional Coulomb clusters.

    Science.gov (United States)

    Ash, Biswarup; Chakrabarti, J; Ghosal, Amit

    2017-10-01

    We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional confinements across the crossover from solid- to liquid-like behaviors. While static correlations that investigate the translational and bond orientational order in the confinements show the footprints of hexatic-like phase at low temperatures, dynamics of the particles slow down considerably in this phase, reminiscent of a supercooled liquid. Using density correlations, we probe long-lived heterogeneities arising from the interplay of the irregularity in the confinement and long-range Coulomb interactions. The relaxation at multiple time scales show stretched-exponential decay of spatial correlations in irregular traps. Temperature dependence of characteristic time scales, depicting the structural relaxation of the system, show striking similarities with those observed for the glassy systems, indicating that some of the key signatures of supercooled liquids emerge in confinements with lower spatial symmetries.

  16. Hydrogen migration dynamics in hydrated Al clusters: The Al17(−)·H2O system as an example

    International Nuclear Information System (INIS)

    Álvarez-Barcia, S.; Flores, J. R.

    2014-01-01

    The Al m (−) ·(H 2 O) n systems are known to undergo water splitting processes in the gas phase giving H k Al m (OH) k (−) ·(H 2 O) n−k systems, which can generate H 2 . The migration of H atoms from one Al atom to another on the cluster's surface is of critical importance to the mechanism of the complete H 2 production process. We have applied a combination of Molecular Dynamics and Rice-Ramsperger-Kassel-Marcus theory including tunneling effects to study the gas-phase evolution of HAl 17 (OH) (−) , which can be considered a model system. First, we have performed an extensive search for local minima and the connecting saddle points using a density functional theory method. It is found that in the water-splitting process Al 17 (−) ·(H 2 O) → HAl 17 (OH) (−) , the H atom which bonds to the Al cluster losses rather quickly its excess energy, which is easily “absorbed” by the cluster because of its flexibility. This fact ultimately determines that long-range hydrogen migration is not a very fast process and that, probably, tunneling only plays a secondary role in the migration dynamics, at least for moderate energies. Reduction of the total energy results in the process being very much slowed down. The consequences on the possible mechanisms of H 2 generation from the interaction of Al clusters and water molecules are discussed

  17. Advances in Bayesian Model Based Clustering Using Particle Learning

    Energy Technology Data Exchange (ETDEWEB)

    Merl, D M

    2009-11-19

    Recent work by Carvalho, Johannes, Lopes and Polson and Carvalho, Lopes, Polson and Taddy introduced a sequential Monte Carlo (SMC) alternative to traditional iterative Monte Carlo strategies (e.g. MCMC and EM) for Bayesian inference for a large class of dynamic models. The basis of SMC techniques involves representing the underlying inference problem as one of state space estimation, thus giving way to inference via particle filtering. The key insight of Carvalho et al was to construct the sequence of filtering distributions so as to make use of the posterior predictive distribution of the observable, a distribution usually only accessible in certain Bayesian settings. Access to this distribution allows a reversal of the usual propagate and resample steps characteristic of many SMC methods, thereby alleviating to a large extent many problems associated with particle degeneration. Furthermore, Carvalho et al point out that for many conjugate models the posterior distribution of the static variables can be parametrized in terms of [recursively defined] sufficient statistics of the previously observed data. For models where such sufficient statistics exist, particle learning as it is being called, is especially well suited for the analysis of streaming data do to the relative invariance of its algorithmic complexity with the number of data observations. Through a particle learning approach, a statistical model can be fit to data as the data is arriving, allowing at any instant during the observation process direct quantification of uncertainty surrounding underlying model parameters. Here we describe the use of a particle learning approach for fitting a standard Bayesian semiparametric mixture model as described in Carvalho, Lopes, Polson and Taddy. In Section 2 we briefly review the previously presented particle learning algorithm for the case of a Dirichlet process mixture of multivariate normals. In Section 3 we describe several novel extensions to the original

  18. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... Author for correspondence (zh4403701@126.com). MS received 15 ... lic clusters using density functional theory (DFT)-GGA of the DMOL3 package. ... In the process of geometric optimization, con- vergence thresholds ..... and Postgraduate Research & Practice Innovation Program of. Jiangsu Province ...

  19. clusters

    Indian Academy of Sciences (India)

    environmental as well as technical problems during fuel gas utilization. ... adsorption on some alloys of Pd, namely PdAu, PdAg ... ried out on small neutral and charged Au24,26,27, Cu,28 ... study of Zanti et al.29 on Pdn (n = 1–9) clusters.

  20. A grand unified model for liganded gold clusters

    Science.gov (United States)

    Xu, Wen Wu; Zhu, Beien; Zeng, Xiao Cheng; Gao, Yi

    2016-12-01

    A grand unified model (GUM) is developed to achieve fundamental understanding of rich structures of all 71 liganded gold clusters reported to date. Inspired by the quark model by which composite particles (for example, protons and neutrons) are formed by combining three quarks (or flavours), here gold atoms are assigned three `flavours' (namely, bottom, middle and top) to represent three possible valence states. The `composite particles' in GUM are categorized into two groups: variants of triangular elementary block Au3(2e) and tetrahedral elementary block Au4(2e), all satisfying the duet rule (2e) of the valence shell, akin to the octet rule in general chemistry. The elementary blocks, when packed together, form the cores of liganded gold clusters. With the GUM, structures of 71 liganded gold clusters and their growth mechanism can be deciphered altogether. Although GUM is a predictive heuristic and may not be necessarily reflective of the actual electronic structure, several highly stable liganded gold clusters are predicted, thereby offering GUM-guided synthesis of liganded gold clusters by design.

  1. Oxide-supported metal clusters: models for heterogeneous catalysts

    International Nuclear Information System (INIS)

    Santra, A K; Goodman, D W

    2003-01-01

    Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

  2. Containing Terrorism: A Dynamic Model

    Directory of Open Access Journals (Sweden)

    Giti Zahedzadeh

    2017-06-01

    Full Text Available The strategic interplay between counterterror measures and terror activity is complex. Herein, we propose a dynamic model to depict this interaction. The model generates stylized prognoses: (i under conditions of inefficient counterterror measures, terror groups enjoy longer period of activity but only if recruitment into terror groups remains low; high recruitment shortens the period of terror activity (ii highly efficient counterterror measures effectively contain terror activity, but only if recruitment remains low. Thus, highly efficient counterterror measures can effectively contain terrorism if recruitment remains restrained. We conclude that the trajectory of the dynamics between counterterror measures and terror activity is heavily altered by recruitment.

  3. Three-Dimensional Modeling of Fracture Clusters in Geothermal Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Ghassemi, Ahmad [Univ. of Oklahoma, Norman, OK (United States)

    2017-08-11

    The objective of this is to develop a 3-D numerical model for simulating mode I, II, and III (tensile, shear, and out-of-plane) propagation of multiple fractures and fracture clusters to accurately predict geothermal reservoir stimulation using the virtual multi-dimensional internal bond (VMIB). Effective development of enhanced geothermal systems can significantly benefit from improved modeling of hydraulic fracturing. In geothermal reservoirs, where the temperature can reach or exceed 350oC, thermal and poro-mechanical processes play an important role in fracture initiation and propagation. In this project hydraulic fracturing of hot subsurface rock mass will be numerically modeled by extending the virtual multiple internal bond theory and implementing it in a finite element code, WARP3D, a three-dimensional finite element code for solid mechanics. The new constitutive model along with the poro-thermoelastic computational algorithms will allow modeling the initiation and propagation of clusters of fractures, and extension of pre-existing fractures. The work will enable the industry to realistically model stimulation of geothermal reservoirs. The project addresses the Geothermal Technologies Office objective of accurately predicting geothermal reservoir stimulation (GTO technology priority item). The project goal will be attained by: (i) development of the VMIB method for application to 3D analysis of fracture clusters; (ii) development of poro- and thermoelastic material sub-routines for use in 3D finite element code WARP3D; (iii) implementation of VMIB and the new material routines in WARP3D to enable simulation of clusters of fractures while accounting for the effects of the pore pressure, thermal stress and inelastic deformation; (iv) simulation of 3D fracture propagation and coalescence and formation of clusters, and comparison with laboratory compression tests; and (v) application of the model to interpretation of injection experiments (planned by our

  4. 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

  5. Activity-induced clustering in model dumbbell swimmers: the role of hydrodynamic interactions.

    Science.gov (United States)

    Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E

    2014-08-01

    Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

  6. 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.

  7. A dynamical model of terrorism

    Directory of Open Access Journals (Sweden)

    Firdaus Udwadia

    2006-01-01

    Full Text Available This paper develops a dynamical model of terrorism. We consider the population in a given region as being made up of three primary components: terrorists, those susceptible to both terrorist and pacifist propaganda, and nonsusceptibles, or pacifists. The dynamical behavior of these three populations is studied using a model that incorporates the effects of both direct military/police intervention to reduce the terrorist population, and nonviolent, persuasive intervention to influence the susceptibles to become pacifists. The paper proposes a new paradigm for studying terrorism, and looks at the long-term dynamical evolution in time of these three population components when such interventions are carried out. Many important features—some intuitive, others not nearly so—of the nature of terrorism emerge from the dynamical model proposed, and they lead to several important policy implications for the management of terrorism. The different circumstances in which nonviolent intervention and/or military/police intervention may be beneficial, and the specific conditions under which each mode of intervention, or a combination of both, may be useful, are obtained. The novelty of the model presented herein is that it deals with the time evolution of terrorist activity. It appears to be one of the few models that can be tested, evaluated, and improved upon, through the use of actual field data.

  8. 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.

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

    Science.gov (United States)

    Orlicky, David J; Monks, Jenifer; Stefanski, Adrianne L; McManaman, James L

    2013-01-01

    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.

  10. Emergence of clustering in an acquaintance model without homophily

    Science.gov (United States)

    Bhat, Uttam; Krapivsky, P. L.; Redner, S.

    2014-11-01

    We introduce an agent-based acquaintance model in which social links are created by processes in which there is no explicit homophily. In spite of the homogeneous nature of the social interactions, highly-clustered social networks can arise. The crucial feature of our model is that of variable transitive interactions. Namely, when an agent introduces two unconnected friends, the rate at which a connection actually occurs between them depends on the number of their mutual acquaintances. As this transitive interaction rate is varied, the social network undergoes a dramatic clustering transition. Close to the transition, the network consists of a collection of well-defined communities. As a function of time, the network can also undergo an incomplete gelation transition, in which the gel, or giant cluster, does not constitute the entire network, even at infinite time. Some of the clustering properties of our model also arise, but in a more gradual manner, in Facebook networks. Finally, we discuss a more realistic variant of our original model in which network realizations can be constructed that quantitatively match Facebook networks.

  11. Emergence of clustering in an acquaintance model without homophily

    International Nuclear Information System (INIS)

    Bhat, Uttam; Krapivsky, P L; Redner, S

    2014-01-01

    We introduce an agent-based acquaintance model in which social links are created by processes in which there is no explicit homophily. In spite of the homogeneous nature of the social interactions, highly-clustered social networks can arise. The crucial feature of our model is that of variable transitive interactions. Namely, when an agent introduces two unconnected friends, the rate at which a connection actually occurs between them depends on the number of their mutual acquaintances. As this transitive interaction rate is varied, the social network undergoes a dramatic clustering transition. Close to the transition, the network consists of a collection of well-defined communities. As a function of time, the network can also undergo an incomplete gelation transition, in which the gel, or giant cluster, does not constitute the entire network, even at infinite time. Some of the clustering properties of our model also arise, but in a more gradual manner, in Facebook networks. Finally, we discuss a more realistic variant of our original model in which network realizations can be constructed that quantitatively match Facebook networks. (paper)

  12. Large psub(T) pion production and clustered parton model

    Energy Technology Data Exchange (ETDEWEB)

    Kanki, T [Osaka Univ., Toyonaka (Japan). Coll. of General Education

    1977-05-01

    Recent experimental results on the large p sub(T) inclusive ..pi../sup 0/ productions by pp and ..pi..p collisions are interpreted by the parton model in which the constituent quarks are defined to be the clusters of the quark-partons and gluons.

  13. The dilute random field Ising model by finite cluster approximation

    International Nuclear Information System (INIS)

    Benyoussef, A.; Saber, M.

    1987-09-01

    Using the finite cluster approximation, phase diagrams of bond and site diluted three-dimensional simple cubic Ising models with a random field have been determined. The resulting phase diagrams have the same general features for both bond and site dilution. (author). 7 refs, 4 figs

  14. Performance prediction model for distributed applications on multicore clusters

    CSIR Research Space (South Africa)

    Khanyile, NP

    2012-07-01

    Full Text Available discusses some of the short comings of this law in the current age. We propose a theoretical model for predicting the behavior of a distributed algorithm given the network restrictions of the cluster used. The paper focuses on the impact of latency...

  15. Dynamic intelligent cleaning model of dirty electric load data

    International Nuclear Information System (INIS)

    Zhang Xiaoxing; Sun Caixin

    2008-01-01

    There are a number of dirty data in the load database derived from the supervisory control and data acquisition (SCADA) system. Thus, the data must be carefully and reasonably adjusted before it is used for electric load forecasting or power system analysis. This paper proposes a dynamic and intelligent data cleaning model based on data mining theory. Firstly, on the basis of fuzzy soft clustering, the Kohonen clustering network is improved to fulfill the parallel calculation of fuzzy c-means soft clustering. Then, the proposed dynamic algorithm can automatically find the new clustering center (the characteristic curve of the data) with the updated sample data; At last, it is composed with radial basis function neural network (RBFNN), and then, an intelligent adjusting model is proposed to identify the dirty data. The rapid and dynamic performance of the model makes it suitable for real time calculation, and the efficiency and accuracy of the model is proved by test results of electrical load data analysis in Chongqing

  16. The Gravitational Million-Body Problem: A Multidisciplinary Approach to Star Cluster Dynamics

    International Nuclear Information System (INIS)

    Tremaine, Scott

    2003-01-01

    focus on N 10 6 for two main reasons: first, direct numerical integrations of N-body systems are beginning to approach this threshold, and second, globular star clusters provide remarkably accurate physical instantiations of the idealized N-body problem with N = 10 5 - 10 6 . The authors are distinguished contributors to the study of star-cluster dynamics and the gravitational N-body problem. The book contains lucid and concise descriptions of most of the important tools in the subject, with only a modest bias towards the authors' own interests. These tools include the two-body relaxation approximation, the Vlasov and Fokker-Planck equations, regularization of close encounters, conducting fluid models, Hill's approximation, Heggie's law for binary star evolution, symplectic integration algorithms, Liapunov exponents, and so on. The book also provides an up-to-date description of the principal processes that drive the evolution of idealized N-body systems - two-body relaxation, mass segregation, escape, core collapse and core bounce, binary star hardening, gravothermal oscillations - as well as additional processes such as stellar collisions and tidal shocks that affect real star clusters but not idealized N-body systems. In a relatively short (300 pages plus appendices) book such as this, many topics have to be omitted. The reader who is hoping to learn about the phenomenology of star clusters will be disappointed, as the description of their properties is limited to only a page of text; there is also almost no discussion of other, equally interesting N-body systems such as galaxies(N ∼ 10 6 - 10 12 ), open clusters (N ≅ 10 2 - 10 4 ), planetary systems, or the star clusters surrounding black holes that are found in the centres of most galaxies. All of these omissions are defensible decisions. Less defensible is the uneven set of references in the text; for example, nowhere is the reader informed that the classic predecessor to this work was Spitzer's 1987 monograph

  17. BOOK REVIEW: The Gravitational Million-Body Problem: A Multidisciplinary Approach to Star Cluster Dynamics

    Science.gov (United States)

    Heggie, D.; Hut, P.

    2003-10-01

    focus on N = 106 for two main reasons: first, direct numerical integrations of N-body systems are beginning to approach this threshold, and second, globular star clusters provide remarkably accurate physical instantiations of the idealized N-body problem with N = 105 - 106. The authors are distinguished contributors to the study of star-cluster dynamics and the gravitational N-body problem. The book contains lucid and concise descriptions of most of the important tools in the subject, with only a modest bias towards the authors' own interests. These tools include the two-body relaxation approximation, the Vlasov and Fokker-Planck equations, regularization of close encounters, conducting fluid models, Hill's approximation, Heggie's law for binary star evolution, symplectic integration algorithms, Liapunov exponents, and so on. The book also provides an up-to-date description of the principal processes that drive the evolution of idealized N-body systems - two-body relaxation, mass segregation, escape, core collapse and core bounce, binary star hardening, gravothermal oscillations - as well as additional processes such as stellar collisions and tidal shocks that affect real star clusters but not idealized N-body systems. In a relatively short (300 pages plus appendices) book such as this, many topics have to be omitted. The reader who is hoping to learn about the phenomenology of star clusters will be disappointed, as the description of their properties is limited to only a page of text; there is also almost no discussion of other, equally interesting N-body systems such as galaxies(N approx 106 - 1012), open clusters (N simeq 102 - 104), planetary systems, or the star clusters surrounding black holes that are found in the centres of most galaxies. All of these omissions are defensible decisions. Less defensible is the uneven set of references in the text; for example, nowhere is the reader informed that the classic predecessor to this work was Spitzer's 1987 monograph

  18. Cluster models, factors and characteristics for the competitive advantage of Lithuanian Maritime sector

    OpenAIRE

    Viederytė, Rasa; Didžiokas, Rimantas

    2014-01-01

    Paper analyses several cluster models on the basis of competitiveness: Nine-factor model, Double diamond model, Funnel model of cluster determinants, Destination Competitiveness and sustainability models, which are related to Porter’s Diamond model and concentrate to the classical one - adopt M. Porter’s Diamond model methodology to the evaluation of Lithuanian Maritime sector’s clustering on the basis of competitiveness. Despite the advances in cluster research, this model remains a complex ...

  19. THE DYNAMICAL EFFECTS OF WHITE DWARF BIRTH KICKS IN GLOBULAR STAR CLUSTERS

    International Nuclear Information System (INIS)

    Fregeau, John M.; Richer, Harvey B.; Rasio, Frederic A.; Hurley, Jarrod R.

    2009-01-01

    Recent observations of the white dwarf (WD) populations in the Galactic globular cluster NGC 6397 suggest that WDs receive a kick of a few km s -1 shortly before they are born. Using our Monte Carlo cluster evolution code, which includes accurate treatments of all relevant physical processes operating in globular clusters, we study the effects of the kicks on their host cluster and on the WD population itself. We find that in clusters whose velocity dispersion is comparable to the kick speed, WD kicks are a significant energy source for the cluster, prolonging the initial cluster core contraction phase significantly so that at late times the cluster core-to-half-mass radius ratio is a factor of up to ∼10 larger than in the no-kick case. WD kicks thus represent a possible resolution of the large discrepancy between observed and theoretically predicted values of this key structural parameter. Our modeling also reproduces the observed trend for younger WDs to be more extended in their radial distribution in the cluster than older WDs.

  20. 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.

  1. Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

    Directory of Open Access Journals (Sweden)

    Zheng Li

    2016-07-01

    Full Text Available The ultrafast nuclear and electronic dynamics of protonated water clusters H+(H2On after extreme ultraviolet photoionization is investigated. In particular, we focus on cluster cations with n = 3, 6, and 21. Upon ionization, two positive charges are present in the cluster related to the excess proton and the missing electron, respectively. A correlation is found between the cluster's geometrical conformation and initial electronic energy with the size of the final fragments produced. For situations in which the electron hole and proton are initially spatially close, the two entities become correlated and separate in a time-scale of 20 to 40 fs driven by strong non-adiabatic effects.

  2. Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

    Science.gov (United States)

    Li, Zheng; Vendrell, Oriol

    2016-01-01

    The ultrafast nuclear and electronic dynamics of protonated water clusters H+(H2O)n after extreme ultraviolet photoionization is investigated. In particular, we focus on cluster cations with n = 3, 6, and 21. Upon ionization, two positive charges are present in the cluster related to the excess proton and the missing electron, respectively. A correlation is found between the cluster's geometrical conformation and initial electronic energy with the size of the final fragments produced. For situations in which the electron hole and proton are initially spatially close, the two entities become correlated and separate in a time-scale of 20 to 40 fs driven by strong non-adiabatic effects. PMID:26798842

  3. 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.

  4. Beyond Hydrodynamic Modeling of AGN Heating in Galaxy Clusters

    Science.gov (United States)

    Yang, Hsiang-Yi Karen

    Clusters of galaxies hold a unique position in hierarchical structure formation - they are both powerful cosmological probes and excellent astrophysical laboratories. Accurate modeling of the cluster properties is crucial for reducing systematic uncertainties in cluster cosmology. However, theoretical modeling of the intracluster medium (ICM) has long suffered from the "cooling-flow problem" - clusters with short central times or cool cores (CCs) are predicted to host massive inflows of gas that are not observed. Feedback from active galactic nuclei (AGN) is by far the most promising heating mechanism to counteract radiative cooling. Recent hydrodynamic simulations have made remarkable progress reproducing properties of the CCs. However, there remain two major questions that cannot be probed using purely hydrodynamic models: (1) what are the roles of cosmic rays (CRs)? (2) how is the existing picture altered when the ICM is modeled as weakly collisional plasma? We propose to move beyond limitations of pure hydrodynamics and progress toward a complete understanding of how AGN jet-inflated bubbles interact with their surroundings and provide heat to the ICM. Our objectives include: (1) understand how CR-dominated bubbles heat the ICM; (2) understand bubble evolution and sound-wave dissipation in the ICM with different assumptions of plasma properties, e.g., collisionality of the ICM, with or without anisotropic transport processes; (3) Develop a subgrid model of AGN heating that can be adopted in cosmological simulations based on state-of-the-art isolated simulations. We will use a combination of analytical calculations and idealized simulations to advance our understanding of each individual physical process. We will then perform the first three-dimensional (3D) magnetohydrodynamic (MHD) simulations of self-regulated AGN feedback with relevant CR and anisotropic transport processes in order to quantify the amount and distribution of heating from the AGN. Our

  5. Incremental fuzzy C medoids clustering of time series data using dynamic time warping distance

    Science.gov (United States)

    Chen, Jingli; Wu, Shuai; Liu, Zhizhong; Chao, Hao

    2018-01-01

    Clustering time series data is of great significance since it could extract meaningful statistics and other characteristics. Especially in biomedical engineering, outstanding clustering algorithms for time series may help improve the health level of people. Considering data scale and time shifts of time series, in this paper, we introduce two incremental fuzzy clustering algorithms based on a Dynamic Time Warping (DTW) distance. For recruiting Single-Pass and Online patterns, our algorithms could handle large-scale time series data by splitting it into a set of chunks which are processed sequentially. Besides, our algorithms select DTW to measure distance of pair-wise time series and encourage higher clustering accuracy because DTW could determine an optimal match between any two time series by stretching or compressing segments of temporal data. Our new algorithms are compared to some existing prominent incremental fuzzy clustering algorithms on 12 benchmark time series datasets. The experimental results show that the proposed approaches could yield high quality clusters and were better than all the competitors in terms of clustering accuracy. PMID:29795600

  6. Incremental fuzzy C medoids clustering of time series data using dynamic time warping distance.

    Science.gov (United States)

    Liu, Yongli; Chen, Jingli; Wu, Shuai; Liu, Zhizhong; Chao, Hao

    2018-01-01

    Clustering time series data is of great significance since it could extract meaningful statistics and other characteristics. Especially in biomedical engineering, outstanding clustering algorithms for time series may help improve the health level of people. Considering data scale and time shifts of time series, in this paper, we introduce two incremental fuzzy clustering algorithms based on a Dynamic Time Warping (DTW) distance. For recruiting Single-Pass and Online patterns, our algorithms could handle large-scale time series data by splitting it into a set of chunks which are processed sequentially. Besides, our algorithms select DTW to measure distance of pair-wise time series and encourage higher clustering accuracy because DTW could determine an optimal match between any two time series by stretching or compressing segments of temporal data. Our new algorithms are compared to some existing prominent incremental fuzzy clustering algorithms on 12 benchmark time series datasets. The experimental results show that the proposed approaches could yield high quality clusters and were better than all the competitors in terms of clustering accuracy.

  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. 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

  9. Cluster model calculations of alpha decays across the periodic table

    International Nuclear Information System (INIS)

    Merchant, A.C.; Buck, B.

    1988-10-01

    The cluster model of Buck, Dover and Vary has been used to calculate partial widths for alpha decay from the ground states of all nuclei for which experimental measurements exist. The cluster-core potential is represented by a simple three-parameter form having fixed diffuseness, a radius which scales as A 1/3 and a depth which is adjusted to fit the Q-value of the particular decay. The calculations yield excellent agreement with the vast majority of the available data, and some typical examples are presented. (author) [pt

  10. The effect of alkylating agents on model supported metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Erdem-Senatalar, A.; Blackmond, D.G.; Wender, I. (Pittsburgh Univ., PA (USA). Dept. of Chemical and Petroleum Engineering); Oukaci, R. (CERHYD, Algiers (Algeria))

    1988-01-01

    Interactions between model supported metal clusters and alkylating agents were studied in an effort to understand a novel chemical trapping technique developed for identifying species adsorbed on catalyst surfaces. It was found that these interactions are more complex than had previously been suggested. Studies were completed using deuterium-labeled dimethyl sulfate (DMS), (CH{sub 3}){sub 2}SO{sub 4}, as a trapping agent to interact with the supported metal cluster ethylidyne tricobalt enneacarbonyl. Results showed that oxygenated products formed during the trapping reaction contained {minus}OCD{sub 3} groups from the DMS, indicating that the interaction was not a simple alkylation. 18 refs., 1 fig., 3 tabs.

  11. Generative Models of Conformational Dynamics

    Science.gov (United States)

    Langmead, Christopher James

    2014-01-01

    Atomistic simulations of the conformational dynamics of proteins can be performed using either Molecular Dynamics or Monte Carlo procedures. The ensembles of three-dimensional structures produced during simulation can be analyzed in a number of ways to elucidate the thermodynamic and kinetic properties of the system. The goal of this chapter is to review both traditional and emerging methods for learning generative models from atomistic simulation data. Here, the term ‘generative’ refers to a model of the joint probability distribution over the behaviors of the constituent atoms. In the context of molecular modeling, generative models reveal the correlation structure between the atoms, and may be used to predict how the system will respond to structural perturbations. We begin by discussing traditional methods, which produce multivariate Gaussian models. We then discuss GAMELAN (GrAphical Models of Energy LANdscapes), which produces generative models of complex, non-Gaussian conformational dynamics (e.g., allostery, binding, folding, etc) from long timescale simulation data. PMID:24446358

  12. 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...

  13. 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

  14. Experimental Modeling of Dynamic Systems

    DEFF Research Database (Denmark)

    Knudsen, Morten Haack

    2006-01-01

    An engineering course, Simulation and Experimental Modeling, has been developed that is based on a method for direct estimation of physical parameters in dynamic systems. Compared with classical system identification, the method appears to be easier to understand, apply, and combine with physical...

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

    Energy Technology Data Exchange (ETDEWEB)

    Wahlen-Strothman, J. M. [Rice Univ., Houston, TX (United States); Henderson, T. H. [Rice Univ., Houston, TX (United States); Hermes, M. R. [Rice Univ., Houston, TX (United States); Degroote, M. [Rice Univ., Houston, TX (United States); Qiu, Y. [Rice Univ., Houston, TX (United States); Zhao, J. [Rice Univ., Houston, TX (United States); Dukelsky, J. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia; Scuseria, G. E. [Rice Univ., Houston, TX (United States)

    2018-01-03

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

  16. Latent Clustering Models for Outlier Identification in Telecom Data

    Directory of Open Access Journals (Sweden)

    Ye Ouyang

    2016-01-01

    Full Text Available Collected telecom data traffic has boomed in recent years, due to the development of 4G mobile devices and other similar high-speed machines. The ability to quickly identify unexpected traffic data in this stream is critical for mobile carriers, as it can be caused by either fraudulent intrusion or technical problems. Clustering models can help to identify issues by showing patterns in network data, which can quickly catch anomalies and highlight previously unseen outliers. In this article, we develop and compare clustering models for telecom data, focusing on those that include time-stamp information management. Two main models are introduced, solved in detail, and analyzed: Gaussian Probabilistic Latent Semantic Analysis (GPLSA and time-dependent Gaussian Mixture Models (time-GMM. These models are then compared with other different clustering models, such as Gaussian model and GMM (which do not contain time-stamp information. We perform computation on both sample and telecom traffic data to show that the efficiency and robustness of GPLSA make it the superior method to detect outliers and provide results automatically with low tuning parameters or expertise requirement.

  17. 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.

  18. 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.

  19. Model study in chemisorption: atomic hydrogen on beryllium clusters

    International Nuclear Information System (INIS)

    Bauschlicher, C.W. Jr.

    1976-08-01

    The interaction between atomic hydrogen and the (0001) surface of Be metal has been studied by ab initio electronic structure theory. Self-consistent-field (SCF) calculations have been performed using minimum, optimized minimum, double zeta and mixed basis sets for clusters as large as 22 Be atoms. The binding energy and equilibrium geometry (the distance to the surface) were determined for 4 sites. Both spatially restricted (the wavefunction was constrained to transform as one of the irreducible representations of the molecular point group) and unrestricted SCF calculations were performed. Using only the optimized minimum basis set, clusters containing as many as 22 beryllium atoms have been investigated. From a variety of considerations, this cluster is seen to be nearly converged within the model used, providing the most reliable results for chemisorption. The site dependence of the frequency is shown to be a geometrical effect depending on the number and angle of the bonds. The diffusion of atomic hydrogen through a perfect beryllium crystal is predicted to be energetically unfavorable. The cohesive energy, the ionization energy and the singlet-triplet separation were computed for the clusters without hydrogen. These quantities can be seen as a measure of the total amount of edge effects. The chemisorptive properties are not related to the total amount of edge effects, but rather the edge effects felt by the adsorbate bonding berylliums. This lack of correlation with the total edge effects illustrates the local nature of the bonding, further strengthening the cluster model for chemisorption. A detailed discussion of the bonding and electronic structure is included. The remaining edge effects for the Be 22 cluster are discussed

  20. Dynamical Vertex Approximation for the Hubbard Model

    Science.gov (United States)

    Toschi, Alessandro

    A full understanding of correlated electron systems in the physically relevant situations of three and two dimensions represents a challenge for the contemporary condensed matter theory. However, in the last years considerable progress has been achieved by means of increasingly more powerful quantum many-body algorithms, applied to the basic model for correlated electrons, the Hubbard Hamiltonian. Here, I will review the physics emerging from studies performed with the dynamical vertex approximation, which includes diagrammatic corrections to the local description of the dynamical mean field theory (DMFT). In particular, I will first discuss the phase diagram in three dimensions with a special focus on the commensurate and incommensurate magnetic phases, their (quantum) critical properties, and the impact of fluctuations on electronic lifetimes and spectral functions. In two dimensions, the effects of non-local fluctuations beyond DMFT grow enormously, determining the appearance of a low-temperature insulating behavior for all values of the interaction in the unfrustrated model: Here the prototypical features of the Mott-Hubbard metal-insulator transition, as well as the existence of magnetically ordered phases, are completely overwhelmed by antiferromagnetic fluctuations of exponentially large extension, in accordance with the Mermin-Wagner theorem. Eventually, by a fluctuation diagnostics analysis of cluster DMFT self-energies, the same magnetic fluctuations are identified as responsible for the pseudogap regime in the holed-doped frustrated case, with important implications for the theoretical modeling of the cuprate physics.

  1. 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.

  2. 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.

  3. Modeling, Stability Analysis and Active Stabilization of Multiple DC-Microgrids Clusters

    DEFF Research Database (Denmark)

    Shafiee, Qobad; Dragicevic, Tomislav; Vasquez, Juan Carlos

    2014-01-01

    ), and more especially during interconnection with other MGs, creating dc MG clusters. This paper develops a small signal model for dc MGs from the control point of view, in order to study stability analysis and investigate effects of CPLs and line impedances between the MGs on stability of these systems....... This model can be also used to synthesis and study dynamics of control loops in dc MGs and also dc MG clusters. An active stabilization method is proposed to be implemented as a dc active power filter (APF) inside the MGs in order to not only increase damping of dc MGs at the presence of CPLs but also...... to improve their stability while connecting to the other MGs. Simulation results are provided to evaluate the developed models and demonstrate the effectiveness of proposed active stabilization technique....

  4. The Parental Environment Cluster Model of Child Neglect: An Integrative Conceptual Model.

    Science.gov (United States)

    Burke, Judith; Chandy, Joseph; Dannerbeck, Anne; Watt, J. Wilson

    1998-01-01

    Presents Parental Environment Cluster model of child neglect which identifies three clusters of factors involved in parents' neglectful behavior: (1) parenting skills and functions; (2) development and use of positive social support; and (3) resource availability and management skills. Model offers a focal theory for research, structure for…

  5. 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)

  6. Cluster-based adaptive power control protocol using Hidden Markov Model for Wireless Sensor Networks

    Science.gov (United States)

    Vinutha, C. B.; Nalini, N.; Nagaraja, M.

    2017-06-01

    This paper presents strategies for an efficient and dynamic transmission power control technique, in order to reduce packet drop and hence energy consumption of power-hungry sensor nodes operated in highly non-linear channel conditions of Wireless Sensor Networks. Besides, we also focus to prolong network lifetime and scalability by designing cluster-based network structure. Specifically we consider weight-based clustering approach wherein, minimum significant node is chosen as Cluster Head (CH) which is computed stemmed from the factors distance, remaining residual battery power and received signal strength (RSS). Further, transmission power control schemes to fit into dynamic channel conditions are meticulously implemented using Hidden Markov Model (HMM) where probability transition matrix is formulated based on the observed RSS measurements. Typically, CH estimates initial transmission power of its cluster members (CMs) from RSS using HMM and broadcast this value to its CMs for initialising their power value. Further, if CH finds that there are variations in link quality and RSS of the CMs, it again re-computes and optimises the transmission power level of the nodes using HMM to avoid packet loss due noise interference. We have demonstrated our simulation results to prove that our technique efficiently controls the power levels of sensing nodes to save significant quantity of energy for different sized network.

  7. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion

    Science.gov (United States)

    Bignon, Emmanuelle; Gattuso, Hugo; Morell, Christophe; Dehez, François; Georgakilas, Alexandros G.; Monari, Antonio; Dumont, Elise

    2016-01-01

    Clustered apurinic/apyrimidinic (AP; abasic) DNA lesions produced by ionizing radiation are by far more cytotoxic than isolated AP lesion entities. The structure and dynamics of a series of seven 23-bp oligonucleotides featuring simple bistranded clustered damage sites, comprising of two AP sites, zero, one, three or five bases 3′ or 5′ apart from each other, were investigated through 400 ns explicit solvent molecular dynamics simulations. They provide representative structures of synthetically engineered multiply damage sites-containing oligonucleotides whose repair was investigated experimentally (Nucl. Acids Res. 2004, 32:5609-5620; Nucl. Acids Res. 2002, 30: 2800–2808). The inspection of extrahelical positioning of the AP sites, bulge and non Watson–Crick hydrogen bonding corroborates the experimental measurements of repair efficiencies by bacterial or human AP endonucleases Nfo and APE1, respectively. This study provides unprecedented knowledge into the structure and dynamics of clustered abasic DNA lesions, notably rationalizing the non-symmetry with respect to 3′ to 5′ position. In addition, it provides strong mechanistic insights and basis for future studies on the effects of clustered DNA damage on the recognition and processing of these lesions by bacterial or human DNA repair enzymes specialized in the processing of such lesions. PMID:27587587

  8. Photoionization dynamics of glycine adsorbed on a silicon cluster: ''On-the-fly'' simulations

    International Nuclear Information System (INIS)

    Shemesh, Dorit; Baer, Roi; Seideman, Tamar; Gerber, R. Benny

    2005-01-01

    Dynamics of glycine chemisorbed on the surface of a silicon cluster is studied for a process that involves single-photon ionization, followed by recombination with the electron after a selected time delay. The process is studied by ''on-the-fly'' molecular dynamics simulations, using the semiempirical parametric method number 3 (PM3) potential energy surface. The system is taken to be in the ground state prior to photoionization, and time delays from 5 to 50 fs before the recombination are considered. The time evolution is computed over 10 ps. The main findings are (1) the positive charge after ionization is initially mostly distributed on the silicon cluster. (2) After ionization the major structural changes are on the silicon cluster. These include Si-Si bond breaking and formation and hydrogen transfer between different silicon atoms. (3) The transient ionization event gives rise to dynamical behavior that depends sensitively on the ion state lifetime. Subsequent to 45 fs evolution in the charged state, the glycine molecule starts to rotate on the silicon cluster. Implications of the results to various processes that are induced by transient transition to a charged state are discussed. These include inelastic tunneling in molecular devices, photochemistry on conducting surfaces, and electron-molecule scattering

  9. Enriched gas in clusters and the dynamics of galaxies and clusters: implications for theories of galaxy formation

    International Nuclear Information System (INIS)

    Binney, J.; Silk, J.

    1978-01-01

    Recent developments in relation to the origin of galaxies are cited: the discovery that the intergalactic medium which seems to pervade rich clusters of galaxies has an iron abundance that lies within an order of magnitude of the solar value; the discovery that elliptical galaxies rotate much more slowly than the models of these galaxies had predicted; and the results of studies of cosmological infall in the context of the formation of galaxies and galaxy clusters, which have shown that the resulting density profile is fairly insensitive to initial conditions. After discussing the implications of these recent observations of X-ray clusters and of the rotation of elliptical galaxies, an attempt is made to construct a picture of the formation of elliptical and spiral galaxies in which galaxies form continuously from redshift z approximately 100 onwards. It is suggested that at a redshift z of roughly 5, a fundamental change occurred in the manner in which the cosmic material fragmented into stellar objects. It seems possible that explanations of a variety of puzzling aspects of galactic evolution, including the formation of Population I disks, the origin of the hot intracluster gas, the mass-to-light ratio stratification of galaxies, and the nature of the galaxy luminosity function, should all be sought in the context of this change of regime. Some remarks are made about gas in poor groups of galaxies and the interaction of disk galaxies with their environments. (U.K.)

  10. Business model dynamics and innovation

    DEFF Research Database (Denmark)

    Cavalcante, Sergio Andre; Kesting, Peter; Ulhøi, John Parm

    2011-01-01

    the impact of specific changes to a firm's business model. Such a tool would be particularly useful in identifying path dependencies and resistance at the process level, and would therefore allow a firm's management to take focused action on this in advance. Originality/value – The paper makes two main...... and specifies four different types of business model change: business model creation, extension, revision, and termination. Each type of business model change is associated with specific challenges. Practical implications – The proposed typology can serve as a basis for developing a management tool to evaluate......Purpose – This paper aims to discuss the need to dynamize the existing conceptualization of business model, and proposes a new typology to distinguish different types of business model change. Design/methodology/approach – The paper integrates basic insights of innovation, business process...

  11. On whole Abelian model dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Chauca, J.; Doria, R. [CBPF, Rio de Janeiro (Brazil); Aprendanet, Petropolis, 25600 (Brazil)

    2012-09-24

    Physics challenge is to determine the objects dynamics. However, there are two ways for deciphering the part. The first one is to search for the ultimate constituents; the second one is to understand its behaviour in whole terms. Therefore, the parts can be defined either from elementary constituents or as whole functions. Historically, science has been moving through the first aspect, however, quarks confinement and complexity are interrupting this usual approach. These relevant facts are supporting for a systemic vision be introduced. Our effort here is to study on the whole meaning through gauge theory. Consider a systemic dynamics oriented through the U(1) - systemic gauge parameter which function is to collect a fields set {l_brace}A{sub {mu}I}{r_brace}. Derive the corresponding whole gauge invariant Lagrangian, equations of motion, Bianchi identities, Noether relationships, charges and Ward-Takahashi equations. Whole Lorentz force and BRST symmetry are also studied. These expressions bring new interpretations further than the usual abelian model. They are generating a systemic system governed by 2N+ 10 classical equations plus Ward-Takahashi identities. A whole dynamics based on the notions of directive and circumstance is producing a set determinism where the parts dynamics are inserted in the whole evolution. A dynamics based on state, collective and individual equations with a systemic interdependence.

  12. Testing Numerical Models of Cool Core Galaxy Cluster Formation with X-Ray Observations

    Science.gov (United States)

    Henning, Jason W.; Gantner, Brennan; Burns, Jack O.; Hallman, Eric J.

    2009-12-01

    Using archival Chandra and ROSAT data along with numerical simulations, we compare the properties of cool core and non-cool core galaxy clusters, paying particular attention to the region beyond the cluster cores. With the use of single and double β-models, we demonstrate a statistically significant difference in the slopes of observed cluster surface brightness profiles while the cluster cores remain indistinguishable between the two cluster types. Additionally, through the use of hardness ratio profiles, we find evidence suggesting cool core clusters are cooler beyond their cores than non-cool core clusters of comparable mass and temperature, both in observed and simulated clusters. The similarities between real and simulated clusters supports a model presented in earlier work by the authors describing differing merger histories between cool core and non-cool core clusters. Discrepancies between real and simulated clusters will inform upcoming numerical models and simulations as to new ways to incorporate feedback in these systems.

  13. PREFACE: 10th International Conference on Clustering Aspects of Nuclear Structure and Dynamics (CLUSTER'12)

    Science.gov (United States)

    Lovas, R. G.; Dombrádi, Zs; Kiss, G. G.; Kruppa, A. T.; Lévai, G.

    2013-04-01

    , but we had some invited talks even in the parallel sessions. Written versions of 86 talks have been submitted. Quite a number of the speakers have modified the title of their talk in the written version. To keep the correspondence between the Programme list and the written papers, we have accordingly changed the titles in the Programme list as well. The papers are arranged according to their subjects, without regard to whether they were delivered in a plenary or in a parallel session. There was a talk classified wrongly; this is now classified correctly. In the Programme list and in the list of the papers submitted the names are those of the speakers. You can read in the Opening Address that, by ruling of the organizing institution, no members of the Debrecen Institute of Nuclear Research were selected as invited speakers and no contributions were accepted from them. We doubted the wisdom of this rigour ourselves, and I think the criticism we received for it is justifiable. The success of a conference depends primarily on the speakers. In retrospect, we can say that this conference was extremely successful, and that is owing to the great many wonderful talks delivered. This reflects very well on the present status of the field as well as on the work of the International Advisory Board, which proposed the list of excellent speakers. The Japanese dominance characteristic of all cluster conferences has only been complained about by some of the Japanese who came to Europe primarily to learn things that they could not learn at home. We would like to express our gratitude to our sponsors: the Hungarian Academy of Sciences the Paks Nuclear Power Ltd HMP Logic Ltd International Workshop for Theoretical Physics(Budapest) We were also supported indirectly by a JSPS-MTA bilateral cooperation project, which made it possible for five Japanese colleagues to participate. It just remains to be announced that the next, number 11 in this series of conferences, will be held in Naples in

  14. Dynamic Change in p63 Protein Expression during Implantation of Urothelial Cancer Clusters

    Directory of Open Access Journals (Sweden)

    Takahiro Yoshida

    2015-07-01

    Full Text Available Although the dissemination of urothelial cancer cells is supposed to be a major cause of the multicentricity of urothelial tumors, the mechanism of implantation has not been well investigated. Here, we found that cancer cell clusters from the urine of patients with urothelial cancer retain the ability to survive, grow, and adhere. By using cell lines and primary cells collected from multiple patients, we demonstrate that △Np63α protein in cancer cell clusters was rapidly decreased through proteasomal degradation when clusters were attached to the matrix, leading to downregulation of E-cadherin and upregulation of N-cadherin. Decreased △Np63α protein level in urothelial cancer cell clusters was involved in the clearance of the urothelium. Our data provide the first evidence that clusters of urothelial cancer cells exhibit dynamic changes in △Np63α expression during attachment to the matrix, and decreased △Np63α protein plays a critical role in the interaction between cancer cell clusters and the urothelium. Thus, because △Np63α might be involved in the process of intraluminal dissemination of urothelial cancer cells, blocking the degradation of △Np63α could be a target of therapy to prevent the dissemination of urothelial cancer.

  15. 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.

  16. Relating structure and dynamics in organisation models

    NARCIS (Netherlands)

    Jonkers, C.M.; Treur, J.

    2002-01-01

    To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems,

  17. Sensitivity Sampling Over Dynamic Geometric Data Streams with Applications to $k$-Clustering

    OpenAIRE

    Song, Zhao; Yang, Lin F.; Zhong, Peilin

    2018-01-01

    Sensitivity based sampling is crucial for constructing nearly-optimal coreset for $k$-means / median clustering. In this paper, we provide a novel data structure that enables sensitivity sampling over a dynamic data stream, where points from a high dimensional discrete Euclidean space can be either inserted or deleted. Based on this data structure, we provide a one-pass coreset construction for $k$-means %and M-estimator clustering using space $\\widetilde{O}(k\\mathrm{poly}(d))$ over $d$-dimen...

  18. 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

  19. Modelling MIZ dynamics in a global model

    Science.gov (United States)

    Rynders, Stefanie; Aksenov, Yevgeny; Feltham, Daniel; Nurser, George; Naveira Garabato, Alberto

    2016-04-01

    Exposure of large, previously ice-covered areas of the Arctic Ocean to the wind and surface ocean waves results in the Arctic pack ice cover becoming more fragmented and mobile, with large regions of ice cover evolving into the Marginal Ice Zone (MIZ). The need for better climate predictions, along with growing economic activity in the Polar Oceans, necessitates climate and forecasting models that can simulate fragmented sea ice with a greater fidelity. Current models are not fully fit for the purpose, since they neither model surface ocean waves in the MIZ, nor account for the effect of floe fragmentation on drag, nor include sea ice rheology that represents both the now thinner pack ice and MIZ ice dynamics. All these processes affect the momentum transfer to the ocean. We present initial results from a global ocean model NEMO (Nucleus for European Modelling of the Ocean) coupled to the Los Alamos sea ice model CICE. The model setup implements a novel rheological formulation for sea ice dynamics, accounting for ice floe collisions, thus offering a seamless framework for pack ice and MIZ simulations. The effect of surface waves on ice motion is included through wave pressure and the turbulent kinetic energy of ice floes. In the multidecadal model integrations we examine MIZ and basin scale sea ice and oceanic responses to the changes in ice dynamics. We analyse model sensitivities and attribute them to key sea ice and ocean dynamical mechanisms. The results suggest that the effect of the new ice rheology is confined to the MIZ. However with the current increase in summer MIZ area, which is projected to continue and may become the dominant type of sea ice in the Arctic, we argue that the effects of the combined sea ice rheology will be noticeable in large areas of the Arctic Ocean, affecting sea ice and ocean. With this study we assert that to make more accurate sea ice predictions in the changing Arctic, models need to include MIZ dynamics and physics.

  20. Three-dimensional discrete-time Lotka-Volterra models with an application to industrial clusters

    Science.gov (United States)

    Bischi, G. I.; Tramontana, F.

    2010-10-01

    We consider a three-dimensional discrete dynamical system that describes an application to economics of a generalization of the Lotka-Volterra prey-predator model. The dynamic model proposed is used to describe the interactions among industrial clusters (or districts), following a suggestion given by [23]. After studying some local and global properties and bifurcations in bidimensional Lotka-Volterra maps, by numerical explorations we show how some of them can be extended to their three-dimensional counterparts, even if their analytic and geometric characterization becomes much more difficult and challenging. We also show a global bifurcation of the three-dimensional system that has no two-dimensional analogue. Besides the particular economic application considered, the study of the discrete version of Lotka-Volterra dynamical systems turns out to be a quite rich and interesting topic by itself, i.e. from a purely mathematical point of view.

  1. Development of an interdisciplinary model cluster for tidal water environments

    Science.gov (United States)

    Dietrich, Stephan; Winterscheid, Axel; Jens, Wyrwa; Hartmut, Hein; Birte, Hein; Stefan, Vollmer; Andreas, Schöl

    2013-04-01

    Global climate change has a high potential to influence both the persistence and the transport pathways of water masses and its constituents in tidal waters and estuaries. These processes are linked through dispersion processes, thus directly influencing the sediment and solid suspend matter budgets, and thus the river morphology. Furthermore, the hydrologic regime has an impact on the transport of nutrients, phytoplankton, suspended matter, and temperature that determine the oxygen content within water masses, which is a major parameter describing the water quality. This project aims at the implementation of a so-called (numerical) model cluster in tidal waters, which includes the model compartments hydrodynamics, morphology and ecology. For the implementation of this cluster it is required to continue with the integration of different models that work in a wide range of spatial and temporal scales. The model cluster is thus suggested to lead to a more precise knowledge of the feedback processes between the single interdisciplinary model compartments. In addition to field measurements this model cluster will provide a complementary scientific basis required to address a spectrum of research questions concerning the integral management of estuaries within the Federal Institute of Hydrology (BfG, Germany). This will in particular include aspects like sediment and water quality management as well as adaptation strategies to climate change. The core of the model cluster will consist of the 3D-hydrodynamic model Delft3D (Roelvink and van Banning, 1994), long-term hydrodynamics in the estuaries are simulated with the Hamburg Shelf Ocean Model HAMSOM (Backhaus, 1983; Hein et al., 2012). The simulation results will be compared with the unstructured grid based SELFE model (Zhang and Bapista, 2008). The additional coupling of the BfG-developed 1D-water quality model QSim (Kirchesch and Schöl, 1999; Hein et al., 2011) with the morphological/hydrodynamic models is an

  2. Social Dynamics Modeling and Inference

    Science.gov (United States)

    2018-03-29

    the experiment(s)/ theory and equipment or analyses. Development of innovative theoretical model and methodologies with experimental verifications...information. The methodology based on communication and information theory (thanks to leave at MIT supported by this research) is described in [J1], [C2...a dynamic system [C1] and as a social learning mechanism in details [J4]. Furthermore, by incentive seeding and rewiring connections, information

  3. Collaborative filtering recommendation model based on fuzzy clustering algorithm

    Science.gov (United States)

    Yang, Ye; Zhang, Yunhua

    2018-05-01

    As one of the most widely used algorithms in recommender systems, collaborative filtering algorithm faces two serious problems, which are the sparsity of data and poor recommendation effect in big data environment. In traditional clustering analysis, the object is strictly divided into several classes and the boundary of this division is very clear. However, for most objects in real life, there is no strict definition of their forms and attributes of their class. Concerning the problems above, this paper proposes to improve the traditional collaborative filtering model through the hybrid optimization of implicit semantic algorithm and fuzzy clustering algorithm, meanwhile, cooperating with collaborative filtering algorithm. In this paper, the fuzzy clustering algorithm is introduced to fuzzy clustering the information of project attribute, which makes the project belong to different project categories with different membership degrees, and increases the density of data, effectively reduces the sparsity of data, and solves the problem of low accuracy which is resulted from the inaccuracy of similarity calculation. Finally, this paper carries out empirical analysis on the MovieLens dataset, and compares it with the traditional user-based collaborative filtering algorithm. The proposed algorithm has greatly improved the recommendation accuracy.

  4. Clustering Multivariate Time Series Using Hidden Markov Models

    Directory of Open Access Journals (Sweden)

    Shima Ghassempour

    2014-03-01

    Full Text Available In this paper we describe an algorithm for clustering multivariate time series with variables taking both categorical and continuous values. Time series of this type are frequent in health care, where they represent the health trajectories of individuals. The problem is challenging because categorical variables make it difficult to define a meaningful distance between trajectories. We propose an approach based on Hidden Markov Models (HMMs, where we first map each trajectory into an HMM, then define a suitable distance between HMMs and finally proceed to cluster the HMMs with a method based on a distance matrix. We test our approach on a simulated, but realistic, data set of 1,255 trajectories of individuals of age 45 and over, on a synthetic validation set with known clustering structure, and on a smaller set of 268 trajectories extracted from the longitudinal Health and Retirement Survey. The proposed method can be implemented quite simply using standard packages in R and Matlab and may be a good candidate for solving the difficult problem of clustering multivariate time series with categorical variables using tools that do not require advanced statistic knowledge, and therefore are accessible to a wide range of researchers.

  5. Mean-cluster approach indicates cell sorting time scales are determined by collective dynamics

    Science.gov (United States)

    Beatrici, Carine P.; de Almeida, Rita M. C.; Brunnet, Leonardo G.

    2017-03-01

    Cell migration is essential to cell segregation, playing a central role in tissue formation, wound healing, and tumor evolution. Considering random mixtures of two cell types, it is still not clear which cell characteristics define clustering time scales. The mass of diffusing clusters merging with one another is expected to grow as td /d +2 when the diffusion constant scales with the inverse of the cluster mass. Cell segregation experiments deviate from that behavior. Explanations for that could arise from specific microscopic mechanisms or from collective effects, typical of active matter. Here we consider a power law connecting diffusion constant and cluster mass to propose an analytic approach to model cell segregation where we explicitly take into account finite-size corrections. The results are compared with active matter model simulations and experiments available in the literature. To investigate the role played by different mechanisms we considered different hypotheses describing cell-cell interaction: differential adhesion hypothesis and different velocities hypothesis. We find that the simulations yield normal diffusion for long time intervals. Analytic and simulation results show that (i) cluster evolution clearly tends to a scaling regime, disrupted only at finite-size limits; (ii) cluster diffusion is greatly enhanced by cell collective behavior, such that for high enough tendency to follow the neighbors, cluster diffusion may become independent of cluster size; (iii) the scaling exponent for cluster growth depends only on the mass-diffusion relation, not on the detailed local segregation mechanism. These results apply for active matter systems in general and, in particular, the mechanisms found underlying the increase in cell sorting speed certainly have deep implications in biological evolution as a selection mechanism.

  6. A cluster expansion approach to exponential random graph models

    International Nuclear Information System (INIS)

    Yin, Mei

    2012-01-01

    The exponential family of random graphs are among the most widely studied network models. We show that any exponential random graph model may alternatively be viewed as a lattice gas model with a finite Banach space norm. The system may then be treated using cluster expansion methods from statistical mechanics. In particular, we derive a convergent power series expansion for the limiting free energy in the case of small parameters. Since the free energy is the generating function for the expectations of other random variables, this characterizes the structure and behavior of the limiting network in this parameter region

  7. Cluster shell model: I. Structure of 9Be, 9B

    Science.gov (United States)

    Della Rocca, V.; Iachello, F.

    2018-05-01

    We calculate energy spectra, electromagnetic transition rates, longitudinal and transverse electron scattering form factors and log ft values for beta decay in 9Be, 9B, within the framework of a cluster shell model. By comparing with experimental data, we find strong evidence for the structure of these nuclei to be two α-particles in a dumbbell configuration with Z2 symmetry, plus an additional nucleon.

  8. Efficient image duplicated region detection model using sequential block clustering

    Czech Academy of Sciences Publication Activity Database

    Sekeh, M. A.; Maarof, M. A.; Rohani, M. F.; Mahdian, Babak

    2013-01-01

    Roč. 10, č. 1 (2013), s. 73-84 ISSN 1742-2876 Institutional support: RVO:67985556 Keywords : Image forensic * Copy–paste forgery * Local block matching Subject RIV: IN - Informatics, Computer Science Impact factor: 0.986, year: 2013 http://library.utia.cas.cz/separaty/2013/ZOI/mahdian-efficient image duplicated region detection model using sequential block clustering.pdf

  9. 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.

  10. 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

  11. Clustering Effects on Dynamics in Ionomer Solutions: A Neutron Spin Echo Insight

    Science.gov (United States)

    Perahia, Dvora; Wijesinghe, Sidath; Senanayake, Manjula; Wickramasinghe, Anuradhi; Mohottalalage, Supun S.; Ohl, Michael

    Ionizable blocks in ionomers associate into aggregates serving as physical cross-links and concurrently form transport pathways. The dynamics of ionomers underline their functionality. Incorporating small numbers of ionic groups into polymers significantly constraint their dynamics. Recent computational studies demonstrated a direct correlation between ionic cluster morphology and polymer dynamics. Here using neutron spin echo, we probe the segmental dynamics of polystyrene sulfonate (PSS) as the degree of sulfonation of the PSS and the solution dielectrics are varied. Specifically, 20Wt% PSS of 11,000 g/mol with polydispersity of 1.02 with 3% and 9% sulfonation were studies in toluene (dielectric constant ɛ = 2.8), a good solvent for polystyrene, and with 5Wt% of ethanol (ɛ = 24.3l) added. The dynamic structure factor S(q,t) was analyzed with a single exponential except for a limited q range where two time constants associated with constraint and mobile segments were detected. S(q,t) exhibits several distinctive time and length scales for the dynamics with a crossover appearing at the length scale of the ionic clusters. NSF DMR 1611136.

  12. Dynamical Competition of IC-Industry Clustering from Taiwan to China

    Science.gov (United States)

    Tsai, Bi-Huei; Tsai, Kuo-Hui

    2009-08-01

    Most studies employ qualitative approach to explore the industrial clusters; however, few research has objectively quantified the evolutions of industry clustering. The purpose of this paper is to quantitatively analyze clustering among IC design, IC manufacturing as well as IC packaging and testing industries by using the foreign direct investment (FDI) data. The Lotka-Volterra system equations are first adopted here to capture the competition or cooperation among such three industries, thus explaining their clustering inclinations. The results indicate that the evolution of FDI into China for IC design industry significantly inspire the subsequent FDI of IC manufacturing as well as IC packaging and testing industries. Since IC design industry lie in the upstream stage of IC production, the middle-stream IC manufacturing and downstream IC packing and testing enterprises tend to cluster together with IC design firms, in order to sustain a steady business. Finally, Taiwan IC industry's FDI amount into China is predicted to cumulatively increase, which supports the industrial clustering tendency for Taiwan IC industry. Particularly, the FDI prediction of Lotka-Volterra model performs superior to that of the conventional Bass model after the forecast accuracy of these two models are compared. The prediction ability is dramatically improved as the industrial mutualism among each IC production stage is taken into account.

  13. A Hybrid Double-Layer Master-Slave Model For Multicore-Node Clusters

    International Nuclear Information System (INIS)

    Liu Gang; Schmider, Hartmut; Edgecombe, Kenneth E

    2012-01-01

    The Double-Layer Master-Slave Model (DMSM) is a suitable hybrid model for executing a workload that consists of multiple independent tasks of varying length on a cluster consisting of multicore nodes. In this model, groups of individual tasks are first deployed to the cluster nodes through an MPI based Master-Slave model. Then, each group is processed by multiple threads on the node through an OpenMP based All-Slave approach. The lack of thread safety of most MPI libraries has to be addressed by a judicious use of OpenMP critical regions and locks. The HPCVL DMSM Library implements this model in Fortran and C. It requires a minimum of user input to set up the framework for the model and to define the individual tasks. Optionally, it supports the dynamic distribution of task-related data and the collection of results at runtime. This library is freely available as source code. Here, we outline the working principles of the library and on a few examples demonstrate its capability to efficiently distribute a workload on a distributed-memory cluster with shared-memory nodes.

  14. Cluster growth kinetics

    International Nuclear Information System (INIS)

    Dubovik, V.M.; Gal'perin, A.G.; Rikhvitskij, V.S.; Lushnikov, A.A.

    2000-01-01

    Processes of some traffic blocking coming into existence are considered as probabilistic ones. We study analytic solutions for models for the dynamics of both cluster growth and cluster growth with fragmentation in the systems of finite number of objects. Assuming rates constancy of both coalescence and fragmentation, the models under consideration are linear on the probability functions

  15. The existence of a plastic phase and a solid-liquid dynamical bistability region in small fullerene cluster (C60)7: molecular dynamics simulation

    International Nuclear Information System (INIS)

    Piatek, A; Dawid, A; Gburski, Z

    2006-01-01

    We have simulated (by the molecular dymanics (MD) method) the dynamics of fullerenes (C 60 ) in an extremely small cluster composed of only as many as seven C 60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential which generates both translational and anisotropic rotational motions of each molecule. Our atomically detailed MD simulations discover the plastic phase (no translations but active reorientations of fullerenes) at low energies (temperatures) of the (C 60 ) 7 cluster. We provide the in-depth evidence of the dynamical solid-liquid bistability region in the investigated cluster. Moreover, we confirm the existence of the liquid phase in (C 60 ) 7 , the finding of Gallego et al (1999 Phys. Rev. Lett. 83 5258) obtained earlier on the basis of Girifalco's model, which assumes single-site only and spherically symmetrical interaction between C 60 molecules. We have calculated the translational and angular velocity autocorrelation functions and estimated the diffusion coefficient of fullerene in the liquid phase

  16. Riemannian multi-manifold modeling and clustering in brain networks

    Science.gov (United States)

    Slavakis, Konstantinos; Salsabilian, Shiva; Wack, David S.; Muldoon, Sarah F.; Baidoo-Williams, Henry E.; Vettel, Jean M.; Cieslak, Matthew; Grafton, Scott T.

    2017-08-01

    This paper introduces Riemannian multi-manifold modeling in the context of brain-network analytics: Brainnetwork time-series yield features which are modeled as points lying in or close to a union of a finite number of submanifolds within a known Riemannian manifold. Distinguishing disparate time series amounts thus to clustering multiple Riemannian submanifolds. To this end, two feature-generation schemes for brain-network time series are put forth. The first one is motivated by Granger-causality arguments and uses an auto-regressive moving average model to map low-rank linear vector subspaces, spanned by column vectors of appropriately defined observability matrices, to points into the Grassmann manifold. The second one utilizes (non-linear) dependencies among network nodes by introducing kernel-based partial correlations to generate points in the manifold of positivedefinite matrices. Based on recently developed research on clustering Riemannian submanifolds, an algorithm is provided for distinguishing time series based on their Riemannian-geometry properties. Numerical tests on time series, synthetically generated from real brain-network structural connectivity matrices, reveal that the proposed scheme outperforms classical and state-of-the-art techniques in clustering brain-network states/structures.

  17. 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

  18. Molecular dynamics simulations of sputtering of organic overlayers by slow, large clusters

    International Nuclear Information System (INIS)

    Rzeznik, L.; Czerwinski, B.; Garrison, B.J.; Winograd, N.; Postawa, Z.

    2008-01-01

    The ion-stimulated desorption of organic molecules by impact of large and slow clusters is examined using molecular dynamics (MDs) computer simulations. The investigated system, represented by a monolayer of benzene deposited on Ag{1 1 1}, is irradiated with projectiles composed of thousands of noble gas atoms having a kinetic energy of 0.1-20 eV/atom. The sputtering yield of molecular species and the kinetic energy distributions are analyzed and compared to the results obtain for PS4 overlayer. The simulations demonstrate quite clearly that the physics of ejection by large and slow clusters is distinct from the ejection events stimulated by the popular SIMS clusters, like C 60 , Au 3 and SF 5 at tens of keV energies.

  19. 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.

  20. 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.

  1. Role of the cluster structure of {sup 7}Li in the dynamics of fragment capture

    Energy Technology Data Exchange (ETDEWEB)

    Shrivastava, A., E-mail: aradhana@barc.gov.in [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Navin, A. [GANIL, CEA/DSM - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076 Caen Cedex 5 (France); Diaz-Torres, A. [ECT, Villa Tambosi, I-38123 Villazzano, Trento (Italy); Nanal, V. [DNAP, Tata Institute of Fundamental Research, Mumbai 400005 (India); Ramachandran, K. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Rejmund, M. [GANIL, CEA/DSM - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076 Caen Cedex 5 (France); Bhattacharyya, S. [Variable Energy Cyclotron Centre, 1/AF Bidhan Nagar, Kolkata 700064 (India); Chatterjee, A.; Kailas, S. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Lemasson, A. [GANIL, CEA/DSM - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076 Caen Cedex 5 (France); Palit, R. [DNAP, Tata Institute of Fundamental Research, Mumbai 400005 (India); Parkar, V.V. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Pillay, R.G. [DNAP, Tata Institute of Fundamental Research, Mumbai 400005 (India); Rout, P.C. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sawant, Y. [DNAP, Tata Institute of Fundamental Research, Mumbai 400005 (India)

    2013-01-08

    Exclusive measurements of prompt {gamma}-rays from the heavy-residues with various light charged particles in the {sup 7}Li + {sup 198}Pt system, at an energy near the Coulomb barrier (E/V{sub b}{approx}1.6) are reported. Recent dynamic classical trajectory calculations, constrained by the measured fusion, {alpha}- and t-capture cross-sections have been used to explain the excitation energy dependence of the residue cross-sections. These calculations distinctly illustrate a two-step process, breakup followed by fusion, in case of the capture of t and {alpha} clusters; whereas for {sup 6}He+p and {sup 5}He+d configurations, massive transfer is inferred to be the dominant mechanism. The present work clearly demonstrates the role played by the cluster structures of {sup 7}Li in understanding the reaction dynamics at energies around the Coulomb barrier.

  2. 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

  3. 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

  4. Spherical collapse and cluster counts in modified gravity models

    International Nuclear Information System (INIS)

    Martino, Matthew C.; Stabenau, Hans F.; Sheth, Ravi K.

    2009-01-01

    Modifications to the gravitational potential affect the nonlinear gravitational evolution of large scale structures in the Universe. To illustrate some generic features of such changes, we study the evolution of spherically symmetric perturbations when the modification is of Yukawa type; this is nontrivial, because we should not and do not assume that Birkhoff's theorem applies. We then show how to estimate the abundance of virialized objects in such models. Comparison with numerical simulations shows reasonable agreement: When normalized to have the same fluctuations at early times, weaker large scale gravity produces fewer massive halos. However, the opposite can be true for models that are normalized to have the same linear theory power spectrum today, so the abundance of rich clusters potentially places interesting constraints on such models. Our analysis also indicates that the formation histories and abundances of sufficiently low mass objects are unchanged from standard gravity. This explains why simulations have found that the nonlinear power spectrum at large k is unaffected by such modifications to the gravitational potential. In addition, the most massive objects in models with normalized cosmic microwave background and weaker gravity are expected to be similar to the high-redshift progenitors of the most massive objects in models with stronger gravity. Thus, the difference between the cluster and field galaxy populations is expected to be larger in models with stronger large scale gravity.

  5. Modelling clustering of vertically aligned carbon nanotube arrays.

    Science.gov (United States)

    Schaber, Clemens F; Filippov, Alexander E; Heinlein, Thorsten; Schneider, Jörg J; Gorb, Stanislav N

    2015-08-06

    Previous research demonstrated that arrays of vertically aligned carbon nanotubes (VACNTs) exhibit strong frictional properties. Experiments indicated a strong decrease of the friction coefficient from the first to the second sliding cycle in repetitive measurements on the same VACNT spot, but stable values in consecutive cycles. VACNTs form clusters under shear applied during friction tests, and self-organization stabilizes the mechanical properties of the arrays. With increasing load in the range between 300 µN and 4 mN applied normally to the array surface during friction tests the size of the clusters increases, while the coefficient of friction decreases. To better understand the experimentally obtained results, we formulated and numerically studied a minimalistic model, which reproduces the main features of the system with a minimum of adjustable parameters. We calculate the van der Waals forces between the spherical friction probe and bunches of the arrays using the well-known Morse potential function to predict the number of clusters, their size, instantaneous and mean friction forces and the behaviour of the VACNTs during consecutive sliding cycles and at different normal loads. The data obtained by the model calculations coincide very well with the experimental data and can help in adapting VACNT arrays for biomimetic applications.

  6. Immersive visualization of dynamic CFD model results

    International Nuclear Information System (INIS)

    Comparato, J.R.; Ringel, K.L.; Heath, D.J.

    2004-01-01

    With immersive visualization the engineer has the means for vividly understanding problem causes and discovering opportunities to improve design. Software can generate an interactive world in which collaborators experience the results of complex mathematical simulations such as computational fluid dynamic (CFD) modeling. Such software, while providing unique benefits over traditional visualization techniques, presents special development challenges. The visualization of large quantities of data interactively requires both significant computational power and shrewd data management. On the computational front, commodity hardware is outperforming large workstations in graphical quality and frame rates. Also, 64-bit commodity computing shows promise in enabling interactive visualization of large datasets. Initial interactive transient visualization methods and examples are presented, as well as development trends in commodity hardware and clustering. Interactive, immersive visualization relies on relevant data being stored in active memory for fast response to user requests. For large or transient datasets, data management becomes a key issue. Techniques for dynamic data loading and data reduction are presented as means to increase visualization performance. (author)

  7. Nonequilibrium dynamics of polariton entanglement in a cluster of coupled traps

    Energy Technology Data Exchange (ETDEWEB)

    Quiroga, L [Departamento de Fisica, Universidad de Los Andes, A.A.4976, Bogota D.C. (Colombia); Tejedor, C, E-mail: lquiroga@uniandes.edu.c [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, Cantoblanco, E-28049, Madrid (Spain)

    2009-05-01

    We study in detail the generation and relaxation of quantum coherences (entanglement) in a system of coupled polariton traps. By exploiting a Lie algebraic based super-operator technique we provide an analytical exact solution for the Markovian dissipative dynamics (Master equation) of such system which is valid for arbitrary cluster size, polariton-polariton interaction strength, temperature and initial state. Based on the exact solution of the Master equation at T = OK, we discuss how dissipation affects the quantum entanglement dynamics of coupled polariton systems.

  8. Hyperon-nucleon interaction in the quark cluster model

    International Nuclear Information System (INIS)

    Straub, U.; Zhang Zongye; Braeuer, K.; Faessler, A.; Khadkikar, S.B.; Luebeck, G.

    1988-01-01

    The lambda-nucleon and sigma-nucleon interaction is described in the nonrelativistic quark cluster model. The SU(3) flavor symmetry breaking due to the different quark masses is taken into account, i.e. different wavefunctions for the light (up, down) and heavy (strange) quarks are used in flavor and orbital space. The six-quark wavefunction is fully antisymmetrized. The model hamiltonian contains gluon exchange, pseudoscalar meson exchange and a phenomenological σ-meson exchange. The six-quark scattering problem is solved within the resonating group method. The experimental lambda-nucleon and sigma-nucleon cross sections are well reproduced. (orig.)

  9. 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.

  10. Multiscale modeling of pedestrian dynamics

    CERN Document Server

    Cristiani, Emiliano; Tosin, Andrea

    2014-01-01

    This book presents mathematical models and numerical simulations of crowd dynamics. The core topic is the development of a new multiscale paradigm, which bridges the microscopic and macroscopic scales taking the most from each of them for capturing the relevant clues of complexity of crowds. The background idea is indeed that most of the complex trends exhibited by crowds are due to an intrinsic interplay between individual and collective behaviors. The modeling approach promoted in this book pursues actively this intuition and profits from it for designing general mathematical structures susceptible of application also in fields different from the inspiring original one. The book considers also the two most traditional points of view: the microscopic one, in which pedestrians are tracked individually, and the macroscopic one, in which pedestrians are assimilated to a continuum. Selected existing models are critically analyzed. The work is addressed to researchers and graduate students.

  11. NUCORE - A system for nuclear structure calculations with cluster-core models

    International Nuclear Information System (INIS)

    Heras, C.A.; Abecasis, S.M.

    1982-01-01

    Calculation of nuclear energy levels and their electromagnetic properties, modelling the nucleus as a cluster of a few particles and/or holes interacting with a core which in turn is modelled as a quadrupole vibrator (cluster-phonon model). The members of the cluster interact via quadrupole-quadrupole and pairing forces. (orig.)

  12. Semi-Supervised Generation with Cluster-aware Generative Models

    DEFF Research Database (Denmark)

    Maaløe, Lars; Fraccaro, Marco; Winther, Ole

    2017-01-01

    Deep generative models trained with large amounts of unlabelled data have proven to be powerful within the domain of unsupervised learning. Many real life data sets contain a small amount of labelled data points, that are typically disregarded when training generative models. We propose the Clust...... a log-likelihood of −79.38 nats on permutation invariant MNIST, while also achieving competitive semi-supervised classification accuracies. The model can also be trained fully unsupervised, and still improve the log-likelihood performance with respect to related methods.......Deep generative models trained with large amounts of unlabelled data have proven to be powerful within the domain of unsupervised learning. Many real life data sets contain a small amount of labelled data points, that are typically disregarded when training generative models. We propose the Cluster...

  13. Fine‐Grained Mobile Application Clustering Model Using Retrofitted Document Embedding

    Directory of Open Access Journals (Sweden)

    Yeo‐Chan Yoon

    2017-08-01

    Full Text Available In this paper, we propose a fine‐grained mobile application clustering model using retrofitted document embedding. To automatically determine the clusters and their numbers with no predefined categories, the proposed model initializes the clusters based on title keywords and then merges similar clusters. For improved clustering performance, the proposed model distinguishes between an accurate clustering step with titles and an expansive clustering step with descriptions. During the accurate clustering step, an automatically tagged set is constructed as a result. This set is utilized to learn a high‐performance document vector. During the expansive clustering step, more applications are then classified using this document vector. Experimental results showed that the purity of the proposed model increased by 0.19, and the entropy decreased by 1.18, compared with the K‐means algorithm. In addition, the mean average precision improved by more than 0.09 in a comparison with a support vector machine classifier.

  14. 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

  15. 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.

  16. Application of the dynamically allocated virtual clustering management system to emulated tactical network experimentation

    Science.gov (United States)

    Marcus, Kelvin

    2014-06-01

    The U.S Army Research Laboratory (ARL) has built a "Network Science Research Lab" to support research that aims to improve their ability to analyze, predict, design, and govern complex systems that interweave the social/cognitive, information, and communication network genres. Researchers at ARL and the Network Science Collaborative Technology Alliance (NS-CTA), a collaborative research alliance funded by ARL, conducted experimentation to determine if automated network monitoring tools and task-aware agents deployed within an emulated tactical wireless network could potentially increase the retrieval of relevant data from heterogeneous distributed information nodes. ARL and NS-CTA required the capability to perform this experimentation over clusters of heterogeneous nodes with emulated wireless tactical networks where each node could contain different operating systems, application sets, and physical hardware attributes. Researchers utilized the Dynamically Allocated Virtual Clustering Management System (DAVC) to address each of the infrastructure support requirements necessary in conducting their experimentation. The DAVC is an experimentation infrastructure that provides the means to dynamically create, deploy, and manage virtual clusters of heterogeneous nodes within a cloud computing environment based upon resource utilization such as CPU load, available RAM and hard disk space. The DAVC uses 802.1Q Virtual LANs (VLANs) to prevent experimentation crosstalk and to allow for complex private networks. Clusters created by the DAVC system can be utilized for software development, experimentation, and integration with existing hardware and software. The goal of this paper is to explore how ARL and the NS-CTA leveraged the DAVC to create, deploy and manage multiple experimentation clusters to support their experimentation goals.

  17. A Global Model for Circumgalactic and Cluster-core Precipitation

    Science.gov (United States)

    Voit, G. Mark; Meece, Greg; Li, Yuan; O'Shea, Brian W.; Bryan, Greg L.; Donahue, Megan

    2017-08-01

    We provide an analytic framework for interpreting observations of multiphase circumgalactic gas that is heavily informed by recent numerical simulations of thermal instability and precipitation in cool-core galaxy clusters. We start by considering the local conditions required for the formation of multiphase gas via two different modes: (1) uplift of ambient gas by galactic outflows, and (2) condensation in a stratified stationary medium in which thermal balance is explicitly maintained. Analytic exploration of these two modes provides insights into the relationships between the local ratio of the cooling and freefall timescales (I.e., {t}{cool}/{t}{ff}), the large-scale gradient of specific entropy, and the development of precipitation and multiphase media in circumgalactic gas. We then use these analytic findings to interpret recent simulations of circumgalactic gas in which global thermal balance is maintained. We show that long-lasting configurations of gas with 5≲ \\min ({t}{cool}/{t}{ff})≲ 20 and radial entropy profiles similar to observations of cool cores in galaxy clusters are a natural outcome of precipitation-regulated feedback. We conclude with some observational predictions that follow from these models. This work focuses primarily on precipitation and AGN feedback in galaxy-cluster cores, because that is where the observations of multiphase gas around galaxies are most complete. However, many of the physical principles that govern condensation in those environments apply to circumgalactic gas around galaxies of all masses.

  18. Organizational Model of the Southern Asia Cluster Family Businesses

    Directory of Open Access Journals (Sweden)

    Vipin Gupta

    2013-07-01

    Full Text Available Recently, there has been an increased interest in the family business organization. Traditionally, the ideal typical organizational model was one where the management, governance, and ownership entities are kept separate. This principal agent model has been a subject of public debate in the wake of several corporate scandals. In the family business organization, significant management, governance and ownership is often with the members of a family & its trusted partners. It is common in the US to regulate the management, governance, and ownership roles of the family members by using competitive criteria for the involvement of different members. In Southern Asia cluster (Gupta & Hanges, 2004, on the other hand, it is quite common for the family involvement to be holistic and undivided, where the family collectively owns the shares in the family business. In this work, this organizational model of the Southern Asian family businesses is investigated. Keywords: Southern Asia, family business, organizational model

  19. Cluster geometry and survival probability in systems driven by reaction-diffusion dynamics

    International Nuclear Information System (INIS)

    Windus, Alastair; Jensen, Henrik J

    2008-01-01

    We consider a reaction-diffusion model incorporating the reactions A→φ, A→2A and 2A→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. 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.

  1. Characterizing and Modeling Citation Dynamics

    Science.gov (United States)

    Eom, Young-Ho; Fortunato, Santo

    2011-01-01

    Citation distributions are crucial for the analysis and modeling of the activity of scientists. We investigated bibliometric data of papers published in journals of the American Physical Society, searching for the type of function which best describes the observed citation distributions. We used the goodness of fit with Kolmogorov-Smirnov statistics for three classes of functions: log-normal, simple power law and shifted power law. The shifted power law turns out to be the most reliable hypothesis for all citation networks we derived, which correspond to different time spans. We find that citation dynamics is characterized by bursts, usually occurring within a few years since publication of a paper, and the burst size spans several orders of magnitude. We also investigated the microscopic mechanisms for the evolution of citation networks, by proposing a linear preferential attachment with time dependent initial attractiveness. The model successfully reproduces the empirical citation distributions and accounts for the presence of citation bursts as well. PMID:21966387

  2. MATHEMATICAL MODEL FOR RIVERBOAT DYNAMICS

    Directory of Open Access Journals (Sweden)

    Aleksander Grm

    2017-01-01

    Full Text Available Present work describes a simple dynamical model for riverboat motion based on the square drag law. Air and water interactions with the boat are determined from aerodynamic coefficients. CFX simulations were performed with fully developed turbulent flow to determine boat aerodynamic coefficients for an arbitrary angle of attack for the air and water portions separately. The effect of wave resistance is negligible compared to other forces. Boat movement analysis considers only two-dimensional motion, therefore only six aerodynamics coefficients are required. The proposed model is solved and used to determine the critical environmental parameters (wind and current under which river navigation can be conducted safely. Boat simulator was tested in a single area on the Ljubljanica river and estimated critical wind velocity.

  3. CoDCon Dynamic Modeling.

    Energy Technology Data Exchange (ETDEWEB)

    Cipiti, Benjamin B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-03-01

    The Co-Decontamination (CoDCon) Demonstration project is designed to test the separation of a mixed U and Pu product from dissolved spent nuclear fuel. The primary purpose of the project is to quantify the accuracy and precision to which a U/Pu mass ratio can be achieved without removing a pure Pu product. The system includes an on-line monitoring system using spectroscopy to monitor the ratios throughout the process. A dynamic model of the CoDCon flowsheet and on-line monitoring system was developed in order to expand the range of scenarios that can be examined for process control and determine overall measurement uncertainty. The model development and initial results are presented here.

  4. Modeling the dynamics of choice.

    Science.gov (United States)

    Baum, William M; Davison, Michael

    2009-06-01

    A simple linear-operator model both describes and predicts the dynamics of choice that may underlie the matching relation. We measured inter-food choice within components of a schedule that presented seven different pairs of concurrent variable-interval schedules for 12 food deliveries each with no signals indicating which pair was in force. This measure of local choice was accurately described and predicted as obtained reinforcer sequences shifted it to favor one alternative or the other. The effect of a changeover delay was reflected in one parameter, the asymptote, whereas the effect of a difference in overall rate of food delivery was reflected in the other parameter, rate of approach to the asymptote. The model takes choice as a primary dependent variable, not derived by comparison between alternatives-an approach that agrees with the molar view of behaviour.

  5. 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

  6. Dynamical modeling of tidal streams

    International Nuclear Information System (INIS)

    Bovy, Jo

    2014-01-01

    I present a new framework for modeling the dynamics of tidal streams. The framework consists of simple models for the initial action-angle distribution of tidal debris, which can be straightforwardly evolved forward in time. Taking advantage of the essentially one-dimensional nature of tidal streams, the transformation to position-velocity coordinates can be linearized and interpolated near a small number of points along the stream, thus allowing for efficient computations of a stream's properties in observable quantities. I illustrate how to calculate the stream's average location (its 'track') in different coordinate systems, how to quickly estimate the dispersion around its track, and how to draw mock stream data. As a generative model, this framework allows one to compute the full probability distribution function and marginalize over or condition it on certain phase-space dimensions as well as convolve it with observational uncertainties. This will be instrumental in proper data analysis of stream data. In addition to providing a computationally efficient practical tool for modeling the dynamics of tidal streams, the action-angle nature of the framework helps elucidate how the observed width of the stream relates to the velocity dispersion or mass of the progenitor, and how the progenitors of 'orphan' streams could be located. The practical usefulness of the proposed framework crucially depends on the ability to calculate action-angle variables for any orbit in any gravitational potential. A novel method for calculating actions, frequencies, and angles in any static potential using a single orbit integration is described in the Appendix.

  7. A first packet processing subdomain cluster model based on SDN

    Science.gov (United States)

    Chen, Mingyong; Wu, Weimin

    2017-08-01

    For the current controller cluster packet processing performance bottlenecks and controller downtime problems. An SDN controller is proposed to allocate the priority of each device in the SDN (Software Defined Network) network, and the domain contains several network devices and Controller, the controller is responsible for managing the network equipment within the domain, the switch performs data delivery based on the load of the controller, processing network equipment data. The experimental results show that the model can effectively solve the risk of single point failure of the controller, and can solve the performance bottleneck of the first packet processing.

  8. The random cluster model and a new integration identity

    International Nuclear Information System (INIS)

    Chen, L C; Wu, F Y

    2005-01-01

    We evaluate the free energy of the random cluster model at its critical point for 0 -1 (√q/2) is a rational number. As a by-product, our consideration leads to a closed-form evaluation of the integral 1/(4π 2 ) ∫ 0 2π dΘ ∫ 0 2π dΦ ln[A+B+C - AcosΘ - BcosΦ - Ccos(Θ+Φ)] = -ln(2S) + (2/π)[Ti 2 (AS) + Ti 2 (BS) + Ti 2 (CS)], which arises in lattice statistics, where A, B, C ≥ 0 and S=1/√(AB + BC + CA)

  9. Effective action and cluster properties of the abelian Higgs model

    Energy Technology Data Exchange (ETDEWEB)

    Balaban, T; Imbrie, J Z; Jaffe, A

    1988-02-01

    We continue our program to establish the Higgs mechanism and mass gap for the abelian Higgs model in two and three dimensions. We develop a multiscale cluster expansion for the high frequency modes of the theory, within a framework of iterated renormalization group transformations. The expansions yield decoupling properties needed for a proof of exponential decay of correlations. The result of this analysis is a gauge invariant unit lattice theory with a deep Higgs potential of the shape required to exhibit the Higgs mechanism.

  10. 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.

  11. 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.

  12. 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)

  13. Model selection for semiparametric marginal mean regression accounting for within-cluster subsampling variability and informative cluster size.

    Science.gov (United States)

    Shen, Chung-Wei; Chen, Yi-Hau

    2018-03-13

    We propose a model selection criterion for semiparametric marginal mean regression based on generalized estimating equations. The work is motivated by a longitudinal study on the physical frailty outcome in the elderly, where the cluster size, that is, the number of the observed outcomes in each subject, is "informative" in the sense that it is related to the frailty outcome itself. The new proposal, called Resampling Cluster Information Criterion (RCIC), is based on the resampling idea utilized in the within-cluster resampling method (Hoffman, Sen, and Weinberg, 2001, Biometrika 88, 1121-1134) and accommodates informative cluster size. The implementation of RCIC, however, is free of performing actual resampling of the data and hence is computationally convenient. Compared with the existing model selection methods for marginal mean regression, the RCIC method incorporates an additional component accounting for variability of the model over within-cluster subsampling, and leads to remarkable improvements in selecting the correct model, regardless of whether the cluster size is informative or not. Applying the RCIC method to the longitudinal frailty study, we identify being female, old age, low income and life satisfaction, and chronic health conditions as significant risk factors for physical frailty in the elderly. © 2018, The International Biometric Society.

  14. 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.)

  15. Modified genetic algorithms to model cluster structures in medium-size silicon clusters

    International Nuclear Information System (INIS)

    Bazterra, Victor E.; Ona, Ofelia; Caputo, Maria C.; Ferraro, Marta B.; Fuentealba, Patricio; Facelli, Julio C.

    2004-01-01

    This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of medium size silicon clusters. In this work the GA uses a semiempirical energy function to find the best cluster structures, which are further optimized using density-functional theory. For small clusters our results agree well with previously reported structures, but for larger ones different structures appear. This is the case of Si 36 where we report a different structure, with significant lower energy than those previously found using limited search approaches on common structural motifs. This demonstrates the need for global optimization schemes when searching for stable structures of medium-size silicon clusters

  16. Consequences of dynamical disruption and mass segregation for the binary frequencies of star clusters

    International Nuclear Information System (INIS)

    Geller, Aaron M.; De Grijs, Richard; Li, Chengyuan; Hurley, Jarrod R.

    2013-01-01

    The massive (13,000-26,000 M ☉ ) and young (15-30 Myr) Large Magellanic Cloud star cluster NGC 1818 reveals an unexpected increasing binary frequency with radius for F-type stars (1.3-2.2 M ☉ ). This is in contrast to many older star clusters that show a decreasing binary frequency with radius. We study this phenomenon with sophisticated N-body modeling, exploring a range of initial conditions, from smooth virialized density distributions to highly substructured and collapsing configurations. We find that many of these models can reproduce the cluster's observed properties, although with a modest preference for substructured initial conditions. Our models produce the observed radial trend in binary frequency through disruption of soft binaries (with semi-major axes, a ≳ 3000 AU), on approximately a crossing time (∼5.4 Myr), preferentially in the cluster core. Mass segregation subsequently causes the binaries to sink toward the core. After roughly one initial half-mass relaxation time (t rh (0) ∼ 340 Myr) the radial binary frequency distribution becomes bimodal, the innermost binaries having already segregated toward the core, leaving a minimum in the radial binary frequency distribution that marches outward with time. After 4-6 t rh (0), the rising distribution in the halo disappears, leaving a radial distribution that rises only toward the core. Thus, both a radial binary frequency distribution that falls toward the core (as observed for NGC 1818) and one that rises toward the core (as for older star clusters) can arise naturally from the same evolutionary sequence owing to binary disruption and mass segregation in rich star clusters.

  17. Discovering Process Reference Models from Process Variants Using Clustering Techniques

    NARCIS (Netherlands)

    Li, C.; Reichert, M.U.; Wombacher, Andreas

    2008-01-01

    In today's dynamic business world, success of an enterprise increasingly depends on its ability to react to changes in a quick and flexible way. In response to this need, process-aware information systems (PAIS) emerged, which support the modeling, orchestration and monitoring of business processes

  18. A Distributed Agent Implementation of Multiple Species Flocking Model for Document Partitioning Clustering

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Xiaohui [ORNL; Potok, Thomas E [ORNL

    2006-01-01

    The Flocking model, first proposed by Craig Reynolds, is one of the first bio-inspired computational collective behavior models that has many popular applications, such as animation. Our early research has resulted in a flock clustering algorithm that can achieve better performance than the Kmeans or the Ant clustering algorithms for data clustering. This algorithm generates a clustering of a given set of data through the embedding of the highdimensional data items on a two-dimensional grid for efficient clustering result retrieval and visualization. In this paper, we propose a bio-inspired clustering model, the Multiple Species Flocking clustering model (MSF), and present a distributed multi-agent MSF approach for document clustering.

  19. MODEL-BASED CLUSTERING FOR CLASSIFICATION OF AQUATIC SYSTEMS AND DIAGNOSIS OF ECOLOGICAL STRESS

    Science.gov (United States)

    Clustering approaches were developed using the classification likelihood, the mixture likelihood, and also using a randomization approach with a model index. Using a clustering approach based on the mixture and classification likelihoods, we have developed an algorithm that...

  20. System Dynamics Modelling for a Balanced Scorecard

    DEFF Research Database (Denmark)

    Nielsen, Steen; Nielsen, Erland Hejn

    2008-01-01

    /methodology/approach - We use a case study model to develop time or dynamic dimensions by using a System Dynamics modelling (SDM) approach. The model includes five perspectives and a number of financial and non-financial measures. All indicators are defined and related to a coherent number of different cause...... have a major influence on other indicators and profit and may be impossible to predict without using a dynamic model. Practical implications - The model may be used as the first step in quantifying the cause-and-effect relationships of an integrated BSC model. Using the System Dynamics model provides......Purpose - To construct a dynamic model/framework inspired by a case study based on an international company. As described by the theory, one of the main difficulties of BSC is to foresee the time lag dimension of different types of indicators and their combined dynamic effects. Design...

  1. Dynamic coordinated control laws in multiple agent models

    International Nuclear Information System (INIS)

    Morgan, David S.; Schwartz, Ira B.

    2005-01-01

    We present an active control scheme of a kinetic model of swarming. It has been shown previously that the global control scheme for the model, presented in [Systems Control Lett. 52 (2004) 25], gives rise to spontaneous collective organization of agents into a unified coherent swarm, via steering controls and utilizing long-range attractive and short-range repulsive interactions. We extend these results by presenting control laws whereby a single swarm is broken into independently functioning subswarm clusters. The transition between one coordinated swarm and multiple clustered subswarms is managed simply with a homotopy parameter. Additionally, we present as an alternate formulation, a local control law for the same model, which implements dynamic barrier avoidance behavior, and in which swarm coherence emerges spontaneously

  2. 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

  3. Subgrid Modeling of AGN-driven Turbulence in Galaxy Clusters

    Science.gov (United States)

    Scannapieco, Evan; Brüggen, Marcus

    2008-10-01

    Hot, underdense bubbles powered by active galactic nuclei (AGNs) are likely to play a key role in halting catastrophic cooling in the centers of cool-core galaxy clusters. We present three-dimensional simulations that capture the evolution of such bubbles, using an adaptive mesh hydrodynamic code, FLASH3, to which we have added a subgrid model of turbulence and mixing. While pure hydro simulations indicate that AGN bubbles are disrupted into resolution-dependent pockets of underdense gas, proper modeling of subgrid turbulence indicates that this is a poor approximation to a turbulent cascade that continues far beyond the resolution limit. Instead, Rayleigh-Taylor instabilities act to effectively mix the heated region with its surroundings, while at the same time preserving it as a coherent structure, consistent with observations. Thus, bubbles are transformed into hot clouds of mixed material as they move outward in the hydrostatic intracluster medium (ICM), much as large airbursts lead to a distinctive "mushroom cloud" structure as they rise in the hydrostatic atmosphere of Earth. Properly capturing the evolution of such clouds has important implications for many ICM properties. In particular, it significantly changes the impact of AGNs on the distribution of entropy and metals in cool-core clusters such as Perseus.

  4. Real-time observation of formation and relaxation dynamics of NH4 in (CH3OH)m(NH3)n clusters.

    Science.gov (United States)

    Yamada, Yuji; Nishino, Yoko; Fujihara, Akimasa; Ishikawa, Haruki; Fuke, Kiyokazu

    2009-03-26

    The formation and relaxation dynamics of NH4(CH3OH)m(NH3)n clusters produced by photolysis of ammonia-methanol mixed clusters has been observed by a time-resolved pump-probe method with femtosecond pulse lasers. From the detailed analysis of the time evolutions of the protonated cluster ions, NH4(+)(CH3OH)m(NH3)n, the kinetic model has been constructed, which consists of sequential three-step reaction: ultrafast hydrogen-atom transfer producing the radical pair (NH4-NH2)*, the relaxation process of radical-pair clusters, and dissociation of the solvated NH4 clusters. The initial hydrogen transfer hardly occurs between ammonia and methanol, implying the unfavorable formation of radical pair, (CH3OH2-NH2)*. The remarkable dependence of the time constants in each step on the number and composition of solvents has been explained by the following factors: hydrogen delocalization within the clusters, the internal conversion of the excited-state radical pair, and the stabilization of NH4 by solvation. The dependence of the time profiles on the probe wavelength is attributed to the different ionization efficiency of the NH4(CH3OH)m(NH3)n clusters.

  5. 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.

  6. 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

  7. 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.

  8. The structure, dynamics, and star formation rate of the Orion nebula cluster

    International Nuclear Information System (INIS)

    Da Rio, Nicola; Tan, Jonathan C.; Jaehnig, Karl

    2014-01-01

    The spatial morphology and dynamical status of a young, still-forming stellar cluster provide valuable clues to the conditions during the star formation event and the processes that regulated it. We analyze the Orion Nebula Cluster (ONC), utilizing the latest censuses of its stellar content and membership estimates over a large wavelength range. We determine the center of mass of the ONC and study the radial dependence of angular substructure. The core appears rounder and smoother than the outskirts, which is consistent with a higher degree of dynamical processing. At larger distances, the departure from circular symmetry is mostly driven by the elongation of the system, with very little additional substructure, indicating a somewhat evolved spatial morphology or an expanding halo. We determine the mass density profile of the cluster, which is well fitted by a power law that is slightly steeper than a singular isothermal sphere. Together with the interstellar medium density, which is estimated from average stellar extinction, the mass content of the ONC is insufficient by a factor ∼1.8 to reproduce the observed velocity dispersion from virialized motions, in agreement with previous assessments that the ONC is moderately supervirial. This may indicate recent gas dispersal. Based on the latest estimates for the age spread in the system and our density profiles, we find that at the half-mass radius, 90% of the stellar population formed within ∼5-8 free-fall times (t ff ). This implies a star formation efficiency per t ff of ε ff ∼ 0.04-0.07 (i.e., relatively slow and inefficient star formation rates during star cluster formation).

  9. 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.

  10. 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

  11. The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Hengfeng, E-mail: gonghengfeng@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Chengbin; Zhang, Wei; Xu, Jian [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Deng, Huiqiu; Hu, Wangyu [Hunan University, Department of Applied Physics, Changsha 410082 (China)

    2016-02-01

    Highlights: • The He-related clusters exhibit the very high symmetry. • The trapping capability of vacancy to defects becomes weak due to the pre-existed SIA. • The average length of He{sub N}V{sub 1} clusters is longer than one of He{sub N} and He{sub N}V{sub 1}SIA{sub 1} cluster. - Abstract: Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the He{sub N} and He{sub N}V{sub 1}SIA{sub 1} clusters, the average length of He–He bonds shortens, but it elongates for the He{sub N}V{sub 1} clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of He{sub N}V{sub M} cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor.

  12. A Variational Level Set Model Combined with FCMS for Image Clustering Segmentation

    Directory of Open Access Journals (Sweden)

    Liming Tang

    2014-01-01

    Full Text Available The fuzzy C means clustering algorithm with spatial constraint (FCMS is effective for image segmentation. However, it lacks essential smoothing constraints to the cluster boundaries and enough robustness to the noise. Samson et al. proposed a variational level set model for image clustering segmentation, which can get the smooth cluster boundaries and closed cluster regions due to the use of level set scheme. However it is very sensitive to the noise since it is actually a hard C means clustering model. In this paper, based on Samson’s work, we propose a new variational level set model combined with FCMS for image clustering segmentation. Compared with FCMS clustering, the proposed model can get smooth cluster boundaries and closed cluster regions due to the use of level set scheme. In addition, a block-based energy is incorporated into the energy functional, which enables the proposed model to be more robust to the noise than FCMS clustering and Samson’s model. Some experiments on the synthetic and real images are performed to assess the performance of the proposed model. Compared with some classical image segmentation models, the proposed model has a better performance for the images contaminated by different noise levels.

  13. Review of various dynamic modeling methods and development of an intuitive modeling method for dynamic systems

    International Nuclear Information System (INIS)

    Shin, Seung Ki; Seong, Poong Hyun

    2008-01-01

    Conventional static reliability analysis methods are inadequate for modeling dynamic interactions between components of a system. Various techniques such as dynamic fault tree, dynamic Bayesian networks, and dynamic reliability block diagrams have been proposed for modeling dynamic systems based on improvement of the conventional modeling methods. In this paper, we review these methods briefly and introduce dynamic nodes to the existing Reliability Graph with General Gates (RGGG) as an intuitive modeling method to model dynamic systems. For a quantitative analysis, we use a discrete-time method to convert an RGGG to an equivalent Bayesian network and develop a software tool for generation of probability tables

  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. Cluster-spin dynamics in a GaMo{sub 4}S{sub 8}-type compound: {sup 27}Al nuclear magnetic resonance study of AlMo{sub 4}S{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Ikeno, R; Nakamura, H; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Ako-gun, Hyogo 678-1297 (Japan)

    2007-01-31

    The cluster-spin dynamics of the tetrahedral Mo{sub 4} cluster, involved in AlMo{sub 4}S{sub 8} with a cubic GaMo{sub 4}S{sub 8} type structure, was investigated by NMR of the nonmagnetic {sup 27}Al site located outside the cluster. The nuclear spin-lattice relaxation is described well by the conventional local moment model assuming the presence of S=1/2 at each cluster, indicating that each Mo{sub 4} cluster behaves like a local spin with rigid magnitude. This behaviour is in contrast to the in-cluster relaxation, which reflects the spin-density fluctuations inside the cluster as a small unit of metal.

  16. 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...... of the electric dipole moment autocorrelation function converges very slowly due to the floppy nature of the complex. Even after 55 picoseconds of simulation, significant differences in the modelled and experimental spectrum are seen, likely due to insufficient configurational sampling. Instead, we utilize the MD...... trajectory for a structural based analysis. We find that the most populated values of the N-H-Cl angle are around 162°. The global minimum energy conformation at 180.0° is essentially unpopulated. We re-model the spectrum by combining population data from the MD simulations with optimizations constraining...

  17. Alpha-cluster preformation factor within cluster-formation model for odd-A and odd-odd heavy nuclei