Near infrared photometric and optical spectroscopic study of 22 low mass star clusters embedded in nebulae

NASA Astrophysics Data System (ADS)

Soares, J. B.; Bica, E.; Ahumada, A. V.; Clariá, J. J.

2008-02-01

Aims:Among the star clusters in the Galaxy, those embedded in nebulae represent the youngest group, which has only recently been explored. The analysis of a sample of 22 candidate embedded stellar systems in reflection nebulae and/or HII environments is presented. Methods: We employed optical spectroscopic observations of stars in the directions of the clusters carried out at CASLEO (Argentina) together with near infrared photometry from the 2MASS catalogue. Our analysis is based on source surface density, colour-colour diagrams and on theoretical pre-main sequence isochrones. We take into account the field star contamination by carrying out a statistical subtraction. Results: The studied objects have the characteristics of low mass systems. We derive their fundamental parameters. Most of the cluster ages are younger than 2 Myr. The studied embedded stellar systems in reflection nebulae and/or HII region complexes do not have stars of spectral types earlier than B. The total stellar masses locked in the clusters are in the range 20-220 M⊙. They are found to be gravitationally unstable and are expected to dissolve in a timescale of a few Myr. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

Positronic probe of vacancy defects on surfaces of Au nanoparticles embedded in MgO

NASA Astrophysics Data System (ADS)

Xu, Jun; Moxom, J.; Somieski, B.; White, C. W.; Mills, A. P., Jr.; Suzuki, R.; Ishibashi, S.

2001-09-01

Clusters of four atomic vacancies were found in Au nanoparticle-embedded MgO by positron lifetime spectroscopy [Phys. Rev. Lett. 83, 4586 (1999)]. These clusters were also suggested to locate at the surface of Au nanoparticles by one-detector measurements of Doppler broadening of annihilation radiation. In this work we provide evidence, using two-detector coincidence experiments of Doppler broadening (2D-DBAR), to clarify that these vacancy clusters reside on the surfaces of Au nanoparticles. This work also demonstrates a method for identifying defects at nanomaterials interfaces: a combination of both positron lifetime spectroscopy, which tells the type of the defects, and 2D-DBAR measurements, which reveals chemical environment of the defects.

A new method to unveil embedded stellar clusters

NASA Astrophysics Data System (ADS)

Lombardi, Marco; Lada, Charles J.; Alves, João

2017-11-01

In this paper we present a novel method to identify and characterize stellar clusters deeply embedded in a dark molecular cloud. The method is based on measuring stellar surface density in wide-field infrared images using star counting techniques. It takes advantage of the differing H-band luminosity functions (HLFs) of field stars and young stellar populations and is able to statistically associate each star in an image as a member of either the background stellar population or a young stellar population projected on or near the cloud. Moreover, the technique corrects for the effects of differential extinction toward each individual star. We have tested this method against simulations as well as observations. In particular, we have applied the method to 2MASS point sources observed in the Orion A and B complexes, and the results obtained compare very well with those obtained from deep Spitzer and Chandra observations where presence of infrared excess or X-ray emission directly determines membership status for every star. Additionally, our method also identifies unobscured clusters and a low resolution version of the Orion stellar surface density map shows clearly the relatively unobscured and diffuse OB 1a and 1b sub-groups and provides useful insights on their spatial distribution.

Embedded Clusters

NASA Astrophysics Data System (ADS)

Ascenso, Joana

The past decade has seen an increase of star formation studies made at the molecular cloud scale, motivated mostly by the deployment of a wealth of sensitive infrared telescopes and instruments. Embedded clusters, long recognised as the basic units of coherent star formation in molecular clouds, are now seen to inhabit preferentially cluster complexes tens of parsecs across. This chapter gives an overview of some important properties of the embedded clusters in these complexes and of the complexes themselves, along with the implications of viewing star formation as a molecular-cloud scale process rather than an isolated process at the scale of clusters.

A channel differential EZW coding scheme for EEG data compression.

PubMed

Dehkordi, Vahid R; Daou, Hoda; Labeau, Fabrice

2011-11-01

In this paper, a method is proposed to compress multichannel electroencephalographic (EEG) signals in a scalable fashion. Correlation between EEG channels is exploited through clustering using a k-means method. Representative channels for each of the clusters are encoded individually while other channels are encoded differentially, i.e., with respect to their respective cluster representatives. The compression is performed using the embedded zero-tree wavelet encoding adapted to 1-D signals. Simulations show that the scalable features of the scheme lead to a flexible quality/rate tradeoff, without requiring detailed EEG signal modeling.

Enhanced Ionization of Embedded Clusters by Electron-Transfer-Mediated Decay in Helium Nanodroplets.

PubMed

LaForge, A C; Stumpf, V; Gokhberg, K; von Vangerow, J; Stienkemeier, F; Kryzhevoi, N V; O'Keeffe, P; Ciavardini, A; Krishnan, S R; Coreno, M; Prince, K C; Richter, R; Moshammer, R; Pfeifer, T; Cederbaum, L S; Mudrich, M

2016-05-20

We report the observation of electron-transfer-mediated decay (ETMD) involving magnesium (Mg) clusters embedded in helium (He) nanodroplets. ETMD is initiated by the ionization of He followed by removal of two electrons from the Mg clusters of which one is transferred to the He ion while the other electron is emitted into the continuum. The process is shown to be the dominant ionization mechanism for embedded clusters for photon energies above the ionization potential of He. For Mg clusters larger than five atoms we observe stable doubly ionized clusters. Thus, ETMD provides an efficient pathway to the formation of doubly ionized cold species in doped nanodroplets.

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications.

PubMed

Swerts, Ben; Chibotaru, Liviu F; Lindh, Roland; Seijo, Luis; Barandiaran, Zoila; Clima, Sergiu; Pierloot, Kristin; Hendrickx, Marc F A

2008-04-01

In this article, we present a fragment model potential approach for the description of the crystalline environment as an extension of the use of embedding ab initio model potentials (AIMPs). The biggest limitation of the embedding AIMP method is the spherical nature of its model potentials. This poses problems as soon as the method is applied to crystals containing strongly covalently bonded structures with highly nonspherical electron densities. The newly proposed method addresses this problem by keeping the full electron density as its model potential, thus allowing one to group sets of covalently bonded atoms into fragments. The implementation in the MOLCAS 7.0 quantum chemistry package of the new method, which we call the embedding fragment ab inito model potential method (embedding FAIMP), is reported here, together with results of CASSCF/CASPT2 calculations. The developed methodology is applied for two test problems: (i) the investigation of the lowest ligand field states (2)A1 and (2)B1 of the Cr(V) defect in the YVO4 crystal and (ii) the investigation of the lowest ligand field and ligand-metal charge transfer (LMCT) states at the Mn(II) substitutional impurity doped into CaCO3. Comparison with similar calculations involving AIMPs for all environmental atoms, including those from covalently bounded units, shows that the FAIMP treatment of the YVO4 units surrounding the CrO4(3-) cluster increases the excitation energy (2)B1 → (2)A1 by ca. 1000 cm(-1) at the CASSCF level of calculation. In the case of the Mn(CO3)6(10-) cluster, the FAIMP treatment of the CO3(2-) units of the environment give smaller corrections, of ca. 100 cm(-1), for the ligand-field excitation energies, which is explained by the larger ligands of this cluster. However, the correction for the energy of the lowest LMCT transition is found to be ca. 600 cm(-1) for the CASSCF and ca. 1300 cm(-1) for the CASPT2 calculation.

Final Technical Report for Quantum Embedding for Correlated Electronic Structure in Large Systems and the Condensed Phase

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

Chan, Garnet Kin-Lic

2017-04-30

This is the final technical report. We briefly describe some selected results below. Developments in density matrix embedding. DMET is a quantum embedding theory that we introduced at the beginning of the last funding period, around 2012-2013. Since the first DMET papers, which demonstrated proof-of- principle calculations on the Hubbard model and hydrogen rings, we have carried out a number of different developments, including: Extending the DMET technology to compute broken symmetry phases, including magnetic phases and super- conductivity (Pub. 13); Calibrating the accuracy of DMET and its cluster size convergence against other methods, and formulation of a dynamical clustermore » analog (Pubs. 4, 10) (see Fig. 1); Implementing DMET for ab-initio molecular calculations, and exploring different self-consistency criteria (Pubs. 9, 14); Using embedding to defi ne quantum classical interfaces Pub. 2; Formulating DMET for spectral functions (Pub. 7) (see Fig. 1); Extending DMET to coupled fermion-boson problems (Pub. 12). Together with these embedding developments, we have also implemented a wide variety of impurity solvers within our DMET framework, including DMRG (Pub. 3), AFQMC (Pub. 10), and coupled cluster theory (CC) (Pub. 9).« less

Cluster Computing for Embedded/Real-Time Systems

NASA Technical Reports Server (NTRS)

Katz, D.; Kepner, J.

1999-01-01

Embedded and real-time systems, like other computing systems, seek to maximize computing power for a given price, and thus can significantly benefit from the advancing capabilities of cluster computing.

The writer independent online handwriting recognition system frog on hand and cluster generative statistical dynamic time warping.

PubMed

Bahlmann, Claus; Burkhardt, Hans

2004-03-01

In this paper, we give a comprehensive description of our writer-independent online handwriting recognition system frog on hand. The focus of this work concerns the presentation of the classification/training approach, which we call cluster generative statistical dynamic time warping (CSDTW). CSDTW is a general, scalable, HMM-based method for variable-sized, sequential data that holistically combines cluster analysis and statistical sequence modeling. It can handle general classification problems that rely on this sequential type of data, e.g., speech recognition, genome processing, robotics, etc. Contrary to previous attempts, clustering and statistical sequence modeling are embedded in a single feature space and use a closely related distance measure. We show character recognition experiments of frog on hand using CSDTW on the UNIPEN online handwriting database. The recognition accuracy is significantly higher than reported results of other handwriting recognition systems. Finally, we describe the real-time implementation of frog on hand on a Linux Compaq iPAQ embedded device.

Fierz Convergence Criterion: A Controlled Approach to Strongly Interacting Systems with Small Embedded Clusters.

PubMed

Ayral, Thomas; Vučičević, Jaksa; Parcollet, Olivier

2017-10-20

We present an embedded-cluster method, based on the triply irreducible local expansion formalism. It turns the Fierz ambiguity, inherent to approaches based on a bosonic decoupling of local fermionic interactions, into a convergence criterion. It is based on the approximation of the three-leg vertex by a coarse-grained vertex computed from a self-consistently determined cluster impurity model. The computed self-energies are, by construction, continuous functions of momentum. We show that, in three interaction and doping regimes of the two-dimensional Hubbard model, self-energies obtained with clusters of size four only are very close to numerically exact benchmark results. We show that the Fierz parameter, which parametrizes the freedom in the Hubbard-Stratonovich decoupling, can be used as a quality control parameter. By contrast, the GW+extended dynamical mean field theory approximation with four cluster sites is shown to yield good results only in the weak-coupling regime and for a particular decoupling. Finally, we show that the vertex has spatially nonlocal components only at low Matsubara frequencies.

A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)

NASA Astrophysics Data System (ADS)

Lahav, D.; Klüner, T.

2007-06-01

We derive a variant of a density based embedded cluster approach as an improvement to a recently proposed embedding theory for metallic substrates (Govind et al 1999 J. Chem. Phys. 110 7677; Klüner et al 2001 Phys. Rev. Lett. 86 5954). In this scheme, a local region in space is represented by a small cluster which is treated by accurate quantum chemical methodology. The interaction of the cluster with the infinite solid is taken into account by an effective one-electron embedding operator representing the surrounding region. We propose a self-consistent embedding scheme which resolves intrinsic problems of the former theory, in particular a violation of strict density conservation. The proposed scheme is applied to the well-known benchmark system CO/Pd(111).

Lithium cluster anions: photoelectron spectroscopy and ab initio calculations.

PubMed

Alexandrova, Anastassia N; Boldyrev, Alexander I; Li, Xiang; Sarkas, Harry W; Hendricks, Jay H; Arnold, Susan T; Bowen, Kit H

2011-01-28

Structural and energetic properties of small, deceptively simple anionic clusters of lithium, Li(n)(-), n = 3-7, were determined using a combination of anion photoelectron spectroscopy and ab initio calculations. The most stable isomers of each of these anions, the ones most likely to contribute to the photoelectron spectra, were found using the gradient embedded genetic algorithm program. Subsequently, state-of-the-art ab initio techniques, including time-dependent density functional theory, coupled cluster, and multireference configurational interactions methods, were employed to interpret the experimental spectra.

Communication: Biological applications of coupled-cluster frozen-density embedding

NASA Astrophysics Data System (ADS)

Heuser, Johannes; Höfener, Sebastian

2018-04-01

We report the implementation of the Laplace-transform scaled opposite-spin (LT-SOS) resolution-of-the-identity second-order approximate coupled-cluster singles and doubles (RICC2) combined with frozen-density embedding for excitation energies and molecular properties. In the present work, we furthermore employ the Hartree-Fock density for the interaction energy leading to a simplified Lagrangian which is linear in the Lagrangian multipliers. This approximation has the key advantage of a decoupling of the coupled-cluster amplitude and multipliers, leading also to a significant reduction in computation time. Using the new simplified Lagrangian in combination with efficient wavefunction models such as RICC2 or LT-SOS-RICC2 and density-functional theory (DFT) for the environment molecules (CC2-in-DFT) enables the efficient study of biological applications such as the rhodopsin and visual cone pigments using ab initio methods as routine applications.

Multiscale Embedded Gene Co-expression Network Analysis

PubMed Central

Song, Won-Min; Zhang, Bin

2015-01-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma. PMID:26618778

Multiscale Embedded Gene Co-expression Network Analysis.

PubMed

Song, Won-Min; Zhang, Bin

2015-11-01

Gene co-expression network analysis has been shown effective in identifying functional co-expressed gene modules associated with complex human diseases. However, existing techniques to construct co-expression networks require some critical prior information such as predefined number of clusters, numerical thresholds for defining co-expression/interaction, or do not naturally reproduce the hallmarks of complex systems such as the scale-free degree distribution of small-worldness. Previously, a graph filtering technique called Planar Maximally Filtered Graph (PMFG) has been applied to many real-world data sets such as financial stock prices and gene expression to extract meaningful and relevant interactions. However, PMFG is not suitable for large-scale genomic data due to several drawbacks, such as the high computation complexity O(|V|3), the presence of false-positives due to the maximal planarity constraint, and the inadequacy of the clustering framework. Here, we developed a new co-expression network analysis framework called Multiscale Embedded Gene Co-expression Network Analysis (MEGENA) by: i) introducing quality control of co-expression similarities, ii) parallelizing embedded network construction, and iii) developing a novel clustering technique to identify multi-scale clustering structures in Planar Filtered Networks (PFNs). We applied MEGENA to a series of simulated data and the gene expression data in breast carcinoma and lung adenocarcinoma from The Cancer Genome Atlas (TCGA). MEGENA showed improved performance over well-established clustering methods and co-expression network construction approaches. MEGENA revealed not only meaningful multi-scale organizations of co-expressed gene clusters but also novel targets in breast carcinoma and lung adenocarcinoma.

A Model for Protostellar Cluster Luminosities and the Impact on the CO–H2 Conversion Factor

NASA Astrophysics Data System (ADS)

Gaches, Brandt A. L.; Offner, Stella S. R.

2018-02-01

We construct a semianalytic model to study the effect of far-ultraviolet (FUV) radiation on gas chemistry from embedded protostars. We use the protostellar luminosity function (PLF) formalism of Offner & McKee to calculate the total, FUV, and ionizing cluster luminosity for various protostellar accretion histories and cluster sizes. We2 compare the model predictions with surveys of Gould Belt star-forming regions and find that the tapered turbulent core model matches best the mean luminosities and the spread in the data. We combine the cluster model with the photodissociation region astrochemistry code, 3D-PDR, to compute the impact of the FUV luminosity from embedded protostars on the CO-to-H2 conversion factor, X CO, as a function of cluster size, gas mass, and star formation efficiency. We find that X CO has a weak dependence on the FUV radiation from embedded sources for large clusters owing to high cloud optical depths. In smaller and more efficient clusters the embedded FUV increases X CO to levels consistent with the average Milky Way values. The internal physical and chemical structures of the cloud are significantly altered, and X CO depends strongly on the protostellar cluster mass for small efficient clouds.

Functional feature embedded space mapping of fMRI data.

PubMed

Hu, Jin; Tian, Jie; Yang, Lei

2006-01-01

We have proposed a new method for fMRI data analysis which is called Functional Feature Embedded Space Mapping (FFESM). Our work mainly focuses on the experimental design with periodic stimuli which can be described by a number of Fourier coefficients in the frequency domain. A nonlinear dimension reduction technique Isomap is applied to the high dimensional features obtained from frequency domain of the fMRI data for the first time. Finally, the presence of activated time series is identified by the clustering method in which the information theoretic criterion of minimum description length (MDL) is used to estimate the number of clusters. The feasibility of our algorithm is demonstrated by real human experiments. Although we focus on analyzing periodic fMRI data, the approach can be extended to analyze non-periodic fMRI data (event-related fMRI) by replacing the Fourier analysis with a wavelet analysis.

Subsystem real-time time dependent density functional theory.

PubMed

Krishtal, Alisa; Ceresoli, Davide; Pavanello, Michele

2015-04-21

We present the extension of Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE is a DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of smaller, coupled Kohn-Sham systems. Additional to the computational advantage, FDE provides physical insight into the properties of embedded systems and the coupling interactions between them. The extension to rt-TDDFT is done straightforwardly by evolving the Kohn-Sham subsystems in time simultaneously, while updating the embedding potential between the systems at every time step. Two main applications are presented: the explicit excitation energy transfer in real time between subsystems is demonstrated for the case of the Na4 cluster and the effect of the embedding on optical spectra of coupled chromophores. In particular, the importance of including the full dynamic response in the embedding potential is demonstrated.

Gas expulsion in highly substructured embedded star clusters

NASA Astrophysics Data System (ADS)

Farias, J. P.; Fellhauer, M.; Smith, R.; Domínguez, R.; Dabringhausen, J.

2018-06-01

We investigate the response of initially substructured, young, embedded star clusters to instantaneous gas expulsion of their natal gas. We introduce primordial substructure to the stars and the gas by simplistically modelling the star formation process so as to obtain a variety of substructure distributed within our modelled star-forming regions. We show that, by measuring the virial ratio of the stars alone (disregarding the gas completely), we can estimate how much mass a star cluster will retain after gas expulsion to within 10 per cent accuracy, no matter how complex the background structure of the gas is, and we present a simple analytical recipe describing this behaviour. We show that the evolution of the star cluster while still embedded in the natal gas, and the behaviour of the gas before being expelled, is crucial process that affect the time-scale on which the cluster can evolve into a virialized spherical system. Embedded star clusters that have high levels of substructure are subvirial for longer times, enabling them to survive gas expulsion better than a virialized and spherical system. By using a more realistic treatment for the background gas than our previous studies, we find it very difficult to destroy the young clusters with instantaneous gas expulsion. We conclude that gas removal may not be the main culprit for the dissolution of young star clusters.

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

PubMed

Myhre, Rolf H; Coriani, Sonia; Koch, Henrik

2016-06-14

Core excited states are challenging to calculate, mainly because they are embedded in a manifold of high-energy valence-excited states. However, their locality makes their determination ideal for local correlation methods. In this paper, we demonstrate the performance of multilevel coupled cluster theory in computing core spectra both within the core-valence separated and the asymmetric Lanczos implementations of coupled cluster linear response theory. We also propose a visualization tool to analyze the excitations using the difference between the ground-state and excited-state electron densities.

Design for the fabrication of high efficiency solar cells

DOEpatents

Simmons, Joseph H.

1998-01-01

A method and apparatus for a photo-active region for generation of free carriers when a first surface is exposed to optical radiation. The photo-active region includes a conducting transparent matrix and clusters of semiconductor materials embedded within the conducting transparent matrix. The clusters are arranged in the matrix material so as to define at least a first distribution of cluster sizes ranging from those with the highest bandgap energy near a light incident surface of the photo-active region to those with the smallest bandgap energy near an opposite second surface of the photo-active region. Also disclosed is a method and apparatus for a solar cell. The solar cell includes a photo-active region containing a plurality of semiconductor clusters of varying sizes as described.

Near-infrared study of new embedded clusters in the Carina complex

NASA Astrophysics Data System (ADS)

Oliveira, R. A. P.; Bica, E.; Bonatto, C.

2018-05-01

We analyse the nature of a sample of stellar overdensities that we found projected on the Carina complex. This study is based on the Two Micron All Sky Survey photometry and involves the photometry decontamination of field stars, elaboration of intrinsic colour-magnitude diagrams [CMDs; J × (J - Ks)], colour-colour diagrams (J - H) × (H - Ks), and radial density profiles, in order to determine the structure and the main astrophysical parameters of the best candidates. The verification of an overdensity as an embedded cluster requires a CMD consistent with a PMS content and MS stars, if any. From these results, we are able to verify if they are, in fact, embedded clusters. The results were, in general, rewarding: in a sample of 101 overdensities, the analysis provided 15 candidates, of which three were previously catalogued as clusters (CCCP-Cl 16, Treasure Chest, and FSR 1555), and the 12 remaining are discoveries that provided significant results, with ages not above 4.5 Myr and distances compatible with the studied complex. The resulting values for the differential reddening of most candidates were relatively high, confirming that these clusters are still (partially or fully) embedded in the surrounding gas and dust, as a rule within a shell. Histograms with the distribution of the masses, ages, and distances were also produced, to give an overview of the results. We conclude that all the 12 newly found embedded clusters are related to the Carina complex.

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

PubMed

Hellström, Matti; Spångberg, Daniel; Hermansson, Kersti

2015-12-15

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

Improved Electrostatic Embedding for Fragment-Based Chemical Shift Calculations in Molecular Crystals.

PubMed

Hartman, Joshua D; Balaji, Ashwin; Beran, Gregory J O

2017-12-12

Fragment-based methods predict nuclear magnetic resonance (NMR) chemical shielding tensors in molecular crystals with high accuracy and computational efficiency. Such methods typically employ electrostatic embedding to mimic the crystalline environment, and the quality of the results can be sensitive to the embedding treatment. To improve the quality of this embedding environment for fragment-based molecular crystal property calculations, we borrow ideas from the embedded ion method to incorporate self-consistently polarized Madelung field effects. The self-consistent reproduction of the Madelung potential (SCRMP) model developed here constructs an array of point charges that incorporates self-consistent lattice polarization and which reproduces the Madelung potential at all atomic sites involved in the quantum mechanical region of the system. The performance of fragment- and cluster-based 1 H, 13 C, 14 N, and 17 O chemical shift predictions using SCRMP and density functionals like PBE and PBE0 are assessed. The improved embedding model results in substantial improvements in the predicted 17 O chemical shifts and modest improvements in the 15 N ones. Finally, the performance of the model is demonstrated by examining the assignment of the two oxygen chemical shifts in the challenging γ-polymorph of glycine. Overall, the SCRMP-embedded NMR chemical shift predictions are on par with or more accurate than those obtained with the widely used gauge-including projector augmented wave (GIPAW) model.

Weaknesses in Lexical-Semantic Knowledge Among College Students With Specific Learning Disabilities: Evidence From a Semantic Fluency Task

PubMed Central

McGregor, Karla K.; Oleson, Jacob

2017-01-01

Purpose The purpose of this study is to determine whether deficits in executive function and lexical-semantic memory compromise the linguistic performance of young adults with specific learning disabilities (LD) enrolled in postsecondary studies. Method One hundred eighty-five students with LD (n = 53) or normal language development (ND, n = 132) named items in the categories animals and food for 1 minute for each category and completed tests of lexical-semantic knowledge and executive control of memory. Groups were compared on total names, mean cluster size, frequency of embedded clusters, frequency of cluster switches, and change in fluency over time. Secondary analyses of variability within the LD group were also conducted. Results The LD group was less fluent than the ND group. Within the LD group, lexical-semantic knowledge predicted semantic fluency and cluster size; executive control of memory predicted semantic fluency and cluster switches. The LD group produced smaller clusters and fewer embedded clusters than the ND group. Groups did not differ in switching or change over time. Conclusions Deficits in the lexical-semantic system associated with LD may persist into young adulthood, even among those who have managed their disability well enough to attend college. Lexical-semantic deficits are associated with compromised semantic fluency, and the two problems are more likely among students with more severe disabilities. PMID:28267833

Local matrix learning in clustering and applications for manifold visualization.

PubMed

Arnonkijpanich, Banchar; Hasenfuss, Alexander; Hammer, Barbara

2010-05-01

Electronic data sets are increasing rapidly with respect to both, size of the data sets and data resolution, i.e. dimensionality, such that adequate data inspection and data visualization have become central issues of data mining. In this article, we present an extension of classical clustering schemes by local matrix adaptation, which allows a better representation of data by means of clusters with an arbitrary spherical shape. Unlike previous proposals, the method is derived from a global cost function. The focus of this article is to demonstrate the applicability of this matrix clustering scheme to low-dimensional data embedding for data inspection. The proposed method is based on matrix learning for neural gas and manifold charting. This provides an explicit mapping of a given high-dimensional data space to low dimensionality. We demonstrate the usefulness of this method for data inspection and manifold visualization. 2009 Elsevier Ltd. All rights reserved.

Medium-induced change of the optical response of metal clusters in rare-gas matrices

NASA Astrophysics Data System (ADS)

Xuan, Fengyuan; Guet, Claude

2017-10-01

Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

Prediction of tautomer ratios by embedded-cluster integral equation theory

NASA Astrophysics Data System (ADS)

Kast, Stefan M.; Heil, Jochen; Güssregen, Stefan; Schmidt, K. Friedemann

2010-04-01

The "embedded cluster reference interaction site model" (EC-RISM) approach combines statistical-mechanical integral equation theory and quantum-chemical calculations for predicting thermodynamic data for chemical reactions in solution. The electronic structure of the solute is determined self-consistently with the structure of the solvent that is described by 3D RISM integral equation theory. The continuous solvent-site distribution is mapped onto a set of discrete background charges ("embedded cluster") that represent an additional contribution to the molecular Hamiltonian. The EC-RISM analysis of the SAMPL2 challenge set of tautomers proceeds in three stages. Firstly, the group of compounds for which quantitative experimental free energy data was provided was taken to determine appropriate levels of quantum-chemical theory for geometry optimization and free energy prediction. Secondly, the resulting workflow was applied to the full set, allowing for chemical interpretations of the results. Thirdly, disclosure of experimental data for parts of the compounds facilitated a detailed analysis of methodical issues and suggestions for future improvements of the model. Without specifically adjusting parameters, the EC-RISM model yields the smallest value of the root mean square error for the first set (0.6 kcal mol-1) as well as for the full set of quantitative reaction data (2.0 kcal mol-1) among the SAMPL2 participants.

Observations on Si-based micro-clusters embedded in TaN thin film deposited by co-sputtering with oxygen contamination

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

Lee, Young Mi; Jung, Min-Sang; Choi, Duck-Kyun, E-mail: duck@hanyang.ac.kr, E-mail: mcjung@oist.jp

2015-08-15

Using scanning electron microscopy (SEM) and high-resolution x-ray photoelectron spectroscopy with the synchrotron radiation we investigated Si-based micro-clusters embedded in TaSiN thin films having oxygen contamination. TaSiN thin films were deposited by co-sputtering on fixed or rotated substrates and with various power conditions of TaN and Si targets. Three types of embedded micro-clusters with the chemical states of pure Si, SiO{sub x}-capped Si, and SiO{sub 2}-capped Si were observed and analyzed using SEM and Si 2p and Ta 4f core-level spectra were derived. Their different resistivities are presumably due to the different chemical states and densities of Si-based micro-clusters.

Extending density functional embedding theory for covalently bonded systems.

PubMed

Yu, Kuang; Carter, Emily A

2017-12-19

Quantum embedding theory aims to provide an efficient solution to obtain accurate electronic energies for systems too large for full-scale, high-level quantum calculations. It adopts a hierarchical approach that divides the total system into a small embedded region and a larger environment, using different levels of theory to describe each part. Previously, we developed a density-based quantum embedding theory called density functional embedding theory (DFET), which achieved considerable success in metals and semiconductors. In this work, we extend DFET into a density-matrix-based nonlocal form, enabling DFET to study the stronger quantum couplings between covalently bonded subsystems. We name this theory density-matrix functional embedding theory (DMFET), and we demonstrate its performance in several test examples that resemble various real applications in both chemistry and biochemistry. DMFET gives excellent results in all cases tested thus far, including predicting isomerization energies, proton transfer energies, and highest occupied molecular orbital-lowest unoccupied molecular orbital gaps for local chromophores. Here, we show that DMFET systematically improves the quality of the results compared with the widely used state-of-the-art methods, such as the simple capped cluster model or the widely used ONIOM method.

Solvatochromic shifts from coupled-cluster theory embedded in density functional theory

NASA Astrophysics Data System (ADS)

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

2013-09-01

Building on the framework recently reported for determining general response properties for frozen-density embedding [S. Höfener, A. S. P. Gomes, and L. Visscher, J. Chem. Phys. 136, 044104 (2012)], 10.1063/1.3675845, in this work we report a first implementation of an embedded coupled-cluster in density-functional theory (CC-in-DFT) scheme for electronic excitations, where only the response of the active subsystem is taken into account. The formalism is applied to the calculation of coupled-cluster excitation energies of water and uracil in aqueous solution. We find that the CC-in-DFT results are in good agreement with reference calculations and experimental results. The accuracy of calculations is mainly sensitive to factors influencing the correlation treatment (basis set quality, truncation of the cluster operator) and to the embedding treatment of the ground-state (choice of density functionals). This allows for efficient approximations at the excited state calculation step without compromising the accuracy. This approximate scheme makes it possible to use a first principles approach to investigate environment effects with specific interactions at coupled-cluster level of theory at a cost comparable to that of calculations of the individual subsystems in vacuum.

Spectral functions of strongly correlated extended systems via an exact quantum embedding

NASA Astrophysics Data System (ADS)

Booth, George H.; Chan, Garnet Kin-Lic

2015-04-01

Density matrix embedding theory (DMET) [Phys. Rev. Lett. 109, 186404 (2012), 10.1103/PhysRevLett.109.186404], introduced an approach to quantum cluster embedding methods whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath states was rigorously formulated to exactly reproduce the entanglement of the ground state. The formalism provided similar physics to dynamical mean-field theory at a tiny fraction of the cost but was inherently limited by the construction of a bath designed to reproduce ground-state, static properties. Here, we generalize the concept of quantum embedding to dynamic properties and demonstrate accurate bulk spectral functions at similarly small computational cost. The proposed spectral DMET utilizes the Schmidt decomposition of a response vector, mapping the bulk dynamic correlation functions to that of a quantum impurity cluster coupled to a set of frequency-dependent bath states. The resultant spectral functions are obtained on the real-frequency axis, without bath discretization error, and allows for the construction of arbitrary dynamic correlation functions. We demonstrate the method on the one- (1D) and two-dimensional (2D) Hubbard model, where we obtain zero temperature and thermodynamic limit spectral functions, and show the trivial extension to two-particle Green's functions. This advance therefore extends the scope and applicability of DMET in condensed-matter problems as a computationally tractable route to correlated spectral functions of extended systems and provides a competitive alternative to dynamical mean-field theory for dynamic quantities.

IRAS observations of the Rho Ophiuchi infrared cluster - Spectral energy distributions and luminosity function

NASA Technical Reports Server (NTRS)

Wilking, Bruce A.; Lada, Charles J.; Young, Eric T.

1989-01-01

High-sensitivity IRAS coadded survey data, coupled with new high-sensitivity near-IR observations, are used to investigate the nature of embedded objects over an 4.3-sq-pc area comprising the central star-forming cloud of the Ophiuchi molecular complex; the area encompasses the central cloud of the Rho Ophiuchi complex and includes the core region. Seventy-eight members of the embedded cluster were identified; spectral energy distributions were constructed for 53 objects and were compared with theoretical models to gain insight into their evolutionary status. Bolometric luminosities could be estimated for nearly all of the association members, leading to a revised luminosity function for this dust-embedded cluster.

TRACING EMBEDDED STELLAR POPULATIONS IN CLUSTERS AND GALAXIES USING MOLECULAR EMISSION: METHANOL AS A SIGNATURE OF THE LOW-MASS END OF THE IMF

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

Kristensen, Lars E.; Bergin, Edwin A., E-mail: lkristensen@cfa.harvard.edu

2015-07-10

Most low-mass protostars form in clusters, in particular high-mass clusters; however, how low-mass stars form in high-mass clusters and what the mass distribution is are still open questions both in our own Galaxy and elsewhere. To access the population of forming embedded low-mass protostars observationally, we propose using molecular outflows as tracers. Because the outflow emission scales with mass, the effective contrast between low-mass protostars and their high-mass cousins is greatly lowered. In particular, maps of methanol emission at 338.4 GHz (J = 7{sub 0}–6{sub 0} A{sup +}) in low-mass clusters illustrate that this transition is an excellent probe ofmore » the low-mass population. We present here a model of a forming cluster where methanol emission is assigned to every embedded low-mass protostar. The resulting model image of methanol emission is compared to recent ALMA observations toward a high-mass cluster and the similarity is striking: the toy model reproduces observations to better than a factor of two and suggests that approximately 50% of the total flux originates in low-mass outflows. Future fine-tuning of the model will eventually make it a tool for interpreting the embedded low-mass population of distant regions within our own Galaxy and ultimately higher-redshift starburst galaxies, not just for methanol emission but also water and high-J CO.« less

The Formation and Early Evolution of Embedded Massive Star Clusters

NASA Astrophysics Data System (ADS)

Barnes, Peter

We propose to combine Spitzer, WISE, Herschel, and other archival spacecraft data with an existing ground- and space-based mm-wave to near-IR survey of molecular clouds over a large portion of the Milky Way, in order to systematically study the formation and early evolution of massive stars and star clusters, and provide new observational calibrations for a theoretical paradigm of this key astrophysical problem. Central Objectives: The Galactic Census of High- and Medium-mass Protostars (CHaMP) is a large, unbiased, uniform, and panchromatic survey of massive star and cluster formation and early evolution, covering 20°x6° of the Galactic Plane. Its uniqueness lies in the comprehensive molecular spectroscopy of 303 massive dense clumps, which have also been included in several archival spacecraft surveys. Our objective is a systematic demographic analysis of massive star and cluster formation, one which has not been possible without knowledge of our CHaMP cloud sample, including all clouds with embedded clusters as well as those that have not yet formed massive stars. For proto-clusters deeply embedded within dense molecular clouds, analysis of these space-based data will: 1. Yield a complete census of Young Stellar Objects in each cluster. 2. Allow systematic measurements of embedded cluster properties: spectral energy distributions, luminosity functions, protostellar and disk fractions, and how these vary with cluster mass, age, and density. Combined with other, similarly complete and unbiased infrared and mm data, CHaMP's goals include: 3. A detailed comparison of the embedded stellar populations with their natal dense gas to derive extinction maps, star formation efficiencies and feedback effects, and the kinematics, physics, and chemistry of the gas in and around the clusters. 4. Tying the demographics, age spreads, and timescales of the clusters, based on pre-Main Sequence evolution, to that of the dense gas clumps and Giant Molecular Clouds. 5. A measurement of the local star formation rate per gas mass surface density in the Milky Way, as well as examining arm versus interarm dependencies. Methods and Techniques: We will primarily use archival cryogenic-Spitzer, WISE, and Herschel data, and support this with existing data from ground- and space-based facilities, to conduct a comprehensive assay of critical metrics (as above) and provide observational calibration of theoretical models over the entire massive star formation process. The mm-wave molecular maps of 303 dense gas clumps in multiple species, comprising all the gas above a column density limit of 100 Msun/pc^2, are already inhand. We have also surveyed the embedded stellar content of these clumps, down to subsolar masses, in the near-infrared J, H, and K bands and with deep Warm Spitzer data. Relevance to NASA programs: Analysis to date of the space- and ground-based data has yielded several new insights into evolutionary timescales and the chemical & energy evolution of clumps during the cluster formation process. Investigations as described in this proposal will yield new demographic insights on how the properties and evolution of molecular clouds relate to the properties of massive stars and clusters that form within them, and significantly enhance the science return from these spacecraft missions. The large number of resulting data products are already being made publicly available to the astronomical community, providing crucial information for future NASA science targets. This research will be performed within the framework of a broad international collaboration spanning four continents. This ambitious but practical program will therefore maximise the science payoff from these archival data sets, provide enhanced legacy data for more advanced studies with the next generation of ground- and space-based instruments such as JWST, and open up several new windows into the discovery space of Galactic star formation & interstellar medium studies.

Cross-entropy clustering framework for catchment classification

NASA Astrophysics Data System (ADS)

Tongal, Hakan; Sivakumar, Bellie

2017-09-01

There is an increasing interest in catchment classification and regionalization in hydrology, as they are useful for identification of appropriate model complexity and transfer of information from gauged catchments to ungauged ones, among others. This study introduces a nonlinear cross-entropy clustering (CEC) method for classification of catchments. The method specifically considers embedding dimension (m), sample entropy (SampEn), and coefficient of variation (CV) to represent dimensionality, complexity, and variability of the time series, respectively. The method is applied to daily streamflow time series from 217 gauging stations across Australia. The results suggest that a combination of linear and nonlinear parameters (i.e. m, SampEn, and CV), representing different aspects of the underlying dynamics of streamflows, could be useful for determining distinct patterns of flow generation mechanisms within a nonlinear clustering framework. For the 217 streamflow time series, nine hydrologically homogeneous clusters that have distinct patterns of flow regime characteristics and specific dominant hydrological attributes with different climatic features are obtained. Comparison of the results with those obtained using the widely employed k-means clustering method (which results in five clusters, with the loss of some information about the features of the clusters) suggests the superiority of the cross-entropy clustering method. The outcomes from this study provide a useful guideline for employing the nonlinear dynamic approaches based on hydrologic signatures and for gaining an improved understanding of streamflow variability at a large scale.

Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111).

PubMed

Wilhelm, Jan; Walz, Michael; Stendel, Melanie; Bagrets, Alexei; Evers, Ferdinand

2013-05-14

We present a modification of the standard electron transport methodology based on the (non-equilibrium) Green's function formalism to efficiently simulate STM-images. The novel feature of this method is that it employs an effective embedding technique that allows us to extrapolate properties of metal substrates with adsorbed molecules from quantum-chemical cluster calculations. To illustrate the potential of this approach, we present an application to STM-images of C58-dimers immobilized on Au(111)-surfaces that is motivated by recent experiments.

Development of a Mandarin-English Bilingual Speech Recognition System for Real World Music Retrieval

NASA Astrophysics Data System (ADS)

Zhang, Qingqing; Pan, Jielin; Lin, Yang; Shao, Jian; Yan, Yonghong

In recent decades, there has been a great deal of research into the problem of bilingual speech recognition-to develop a recognizer that can handle inter- and intra-sentential language switching between two languages. This paper presents our recent work on the development of a grammar-constrained, Mandarin-English bilingual Speech Recognition System (MESRS) for real world music retrieval. Two of the main difficult issues in handling the bilingual speech recognition systems for real world applications are tackled in this paper. One is to balance the performance and the complexity of the bilingual speech recognition system; the other is to effectively deal with the matrix language accents in embedded language**. In order to process the intra-sentential language switching and reduce the amount of data required to robustly estimate statistical models, a compact single set of bilingual acoustic models derived by phone set merging and clustering is developed instead of using two separate monolingual models for each language. In our study, a novel Two-pass phone clustering method based on Confusion Matrix (TCM) is presented and compared with the log-likelihood measure method. Experiments testify that TCM can achieve better performance. Since potential system users' native language is Mandarin which is regarded as a matrix language in our application, their pronunciations of English as the embedded language usually contain Mandarin accents. In order to deal with the matrix language accents in embedded language, different non-native adaptation approaches are investigated. Experiments show that model retraining method outperforms the other common adaptation methods such as Maximum A Posteriori (MAP). With the effective incorporation of approaches on phone clustering and non-native adaptation, the Phrase Error Rate (PER) of MESRS for English utterances was reduced by 24.47% relatively compared to the baseline monolingual English system while the PER on Mandarin utterances was comparable to that of the baseline monolingual Mandarin system. The performance for bilingual utterances achieved 22.37% relative PER reduction.

A meta-classifier for detecting prostate cancer by quantitative integration of in vivo magnetic resonance spectroscopy and magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Viswanath, Satish; Tiwari, Pallavi; Rosen, Mark; Madabhushi, Anant

2008-03-01

Recently, in vivo Magnetic Resonance Imaging (MRI) and Magnetic Resonance Spectroscopy (MRS) have emerged as promising new modalities to aid in prostate cancer (CaP) detection. MRI provides anatomic and structural information of the prostate while MRS provides functional data pertaining to biochemical concentrations of metabolites such as creatine, choline and citrate. We have previously presented a hierarchical clustering scheme for CaP detection on in vivo prostate MRS and have recently developed a computer-aided method for CaP detection on in vivo prostate MRI. In this paper we present a novel scheme to develop a meta-classifier to detect CaP in vivo via quantitative integration of multimodal prostate MRS and MRI by use of non-linear dimensionality reduction (NLDR) methods including spectral clustering and locally linear embedding (LLE). Quantitative integration of multimodal image data (MRI and PET) involves the concatenation of image intensities following image registration. However multimodal data integration is non-trivial when the individual modalities include spectral and image intensity data. We propose a data combination solution wherein we project the feature spaces (image intensities and spectral data) associated with each of the modalities into a lower dimensional embedding space via NLDR. NLDR methods preserve the relationships between the objects in the original high dimensional space when projecting them into the reduced low dimensional space. Since the original spectral and image intensity data are divorced from their original physical meaning in the reduced dimensional space, data at the same spatial location can be integrated by concatenating the respective embedding vectors. Unsupervised consensus clustering is then used to partition objects into different classes in the combined MRS and MRI embedding space. Quantitative results of our multimodal computer-aided diagnosis scheme on 16 sets of patient data obtained from the ACRIN trial, for which corresponding histological ground truth for spatial extent of CaP is known, show a marginally higher sensitivity, specificity, and positive predictive value compared to corresponding CAD results with the individual modalities.

Electrostatically Embedded Many-Body Expansion for Neutral and Charged Metalloenzyme Model Systems.

PubMed

Kurbanov, Elbek K; Leverentz, Hannah R; Truhlar, Donald G; Amin, Elizabeth A

2012-01-10

The electrostatically embedded many-body (EE-MB) method has proven accurate for calculating cohesive and conformational energies in clusters, and it has recently been extended to obtain bond dissociation energies for metal-ligand bonds in positively charged inorganic coordination complexes. In the present paper, we present four key guidelines that maximize the accuracy and efficiency of EE-MB calculations for metal centers. Then, following these guidelines, we show that the EE-MB method can also perform well for bond dissociation energies in a variety of neutral and negatively charged inorganic coordination systems representing metalloenzyme active sites, including a model of the catalytic site of the zinc-bearing anthrax toxin lethal factor, a popular target for drug development. In particular, we find that the electrostatically embedded three-body (EE-3B) method is able to reproduce conventionally calculated bond-breaking energies in a series of pentacoordinate and hexacoordinate zinc-containing systems with an average absolute error (averaged over 25 cases) of only 0.98 kcal/mol.

Image segmentation-based robust feature extraction for color image watermarking

NASA Astrophysics Data System (ADS)

Li, Mianjie; Deng, Zeyu; Yuan, Xiaochen

2018-04-01

This paper proposes a local digital image watermarking method based on Robust Feature Extraction. The segmentation is achieved by Simple Linear Iterative Clustering (SLIC) based on which an Image Segmentation-based Robust Feature Extraction (ISRFE) method is proposed for feature extraction. Our method can adaptively extract feature regions from the blocks segmented by SLIC. This novel method can extract the most robust feature region in every segmented image. Each feature region is decomposed into low-frequency domain and high-frequency domain by Discrete Cosine Transform (DCT). Watermark images are then embedded into the coefficients in the low-frequency domain. The Distortion-Compensated Dither Modulation (DC-DM) algorithm is chosen as the quantization method for embedding. The experimental results indicate that the method has good performance under various attacks. Furthermore, the proposed method can obtain a trade-off between high robustness and good image quality.

Melting of Cu nanoclusters by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Yanning; Bian, Xiufang; Chen, Ying

2003-04-01

We present a detailed molecular dynamics study of the melting of copper nanoclusters with up to 8628 atoms within the framework of the embedded-atom method. The finding indicates that there exists an intermediate nanocrystal regime above 456 atoms. The linear relation between the cluster size and its thermodynamics properties is obeyed in this regime. Melting first occurs at the surface of the clusters, leading to Tm, N= Tm,Bulk- αN-1/3, dropping from Tm,Bulk=1360 K to Tm,456=990 K. In addition, the size, surface energy as well as the root mean square displacement (RMSD) of the clusters in the intermediate regime have been investigated.

Big Data Clustering via Community Detection and Hyperbolic Network Embedding in IoT Applications.

PubMed

Karyotis, Vasileios; Tsitseklis, Konstantinos; Sotiropoulos, Konstantinos; Papavassiliou, Symeon

2018-04-15

In this paper, we present a novel data clustering framework for big sensory data produced by IoT applications. Based on a network representation of the relations among multi-dimensional data, data clustering is mapped to node clustering over the produced data graphs. To address the potential very large scale of such datasets/graphs that test the limits of state-of-the-art approaches, we map the problem of data clustering to a community detection one over the corresponding data graphs. Specifically, we propose a novel computational approach for enhancing the traditional Girvan-Newman (GN) community detection algorithm via hyperbolic network embedding. The data dependency graph is embedded in the hyperbolic space via Rigel embedding, allowing more efficient computation of edge-betweenness centrality needed in the GN algorithm. This allows for more efficient clustering of the nodes of the data graph in terms of modularity, without sacrificing considerable accuracy. In order to study the operation of our approach with respect to enhancing GN community detection, we employ various representative types of artificial complex networks, such as scale-free, small-world and random geometric topologies, and frequently-employed benchmark datasets for demonstrating its efficacy in terms of data clustering via community detection. Furthermore, we provide a proof-of-concept evaluation by applying the proposed framework over multi-dimensional datasets obtained from an operational smart-city/building IoT infrastructure provided by the Federated Interoperable Semantic IoT/cloud Testbeds and Applications (FIESTA-IoT) testbed federation. It is shown that the proposed framework can be indeed used for community detection/data clustering and exploited in various other IoT applications, such as performing more energy-efficient smart-city/building sensing.

Big Data Clustering via Community Detection and Hyperbolic Network Embedding in IoT Applications

PubMed Central

Sotiropoulos, Konstantinos

2018-01-01

In this paper, we present a novel data clustering framework for big sensory data produced by IoT applications. Based on a network representation of the relations among multi-dimensional data, data clustering is mapped to node clustering over the produced data graphs. To address the potential very large scale of such datasets/graphs that test the limits of state-of-the-art approaches, we map the problem of data clustering to a community detection one over the corresponding data graphs. Specifically, we propose a novel computational approach for enhancing the traditional Girvan–Newman (GN) community detection algorithm via hyperbolic network embedding. The data dependency graph is embedded in the hyperbolic space via Rigel embedding, allowing more efficient computation of edge-betweenness centrality needed in the GN algorithm. This allows for more efficient clustering of the nodes of the data graph in terms of modularity, without sacrificing considerable accuracy. In order to study the operation of our approach with respect to enhancing GN community detection, we employ various representative types of artificial complex networks, such as scale-free, small-world and random geometric topologies, and frequently-employed benchmark datasets for demonstrating its efficacy in terms of data clustering via community detection. Furthermore, we provide a proof-of-concept evaluation by applying the proposed framework over multi-dimensional datasets obtained from an operational smart-city/building IoT infrastructure provided by the Federated Interoperable Semantic IoT/cloud Testbeds and Applications (FIESTA-IoT) testbed federation. It is shown that the proposed framework can be indeed used for community detection/data clustering and exploited in various other IoT applications, such as performing more energy-efficient smart-city/building sensing. PMID:29662043

Nearest neighbor-density-based clustering methods for large hyperspectral images

NASA Astrophysics Data System (ADS)

Cariou, Claude; Chehdi, Kacem

2017-10-01

We address the problem of hyperspectral image (HSI) pixel partitioning using nearest neighbor - density-based (NN-DB) clustering methods. NN-DB methods are able to cluster objects without specifying the number of clusters to be found. Within the NN-DB approach, we focus on deterministic methods, e.g. ModeSeek, knnClust, and GWENN (standing for Graph WatershEd using Nearest Neighbors). These methods only require the availability of a k-nearest neighbor (kNN) graph based on a given distance metric. Recently, a new DB clustering method, called Density Peak Clustering (DPC), has received much attention, and kNN versions of it have quickly followed and showed their efficiency. However, NN-DB methods still suffer from the difficulty of obtaining the kNN graph due to the quadratic complexity with respect to the number of pixels. This is why GWENN was embedded into a multiresolution (MR) scheme to bypass the computation of the full kNN graph over the image pixels. In this communication, we propose to extent the MR-GWENN scheme on three aspects. Firstly, similarly to knnClust, the original labeling rule of GWENN is modified to account for local density values, in addition to the labels of previously processed objects. Secondly, we set up a modified NN search procedure within the MR scheme, in order to stabilize of the number of clusters found from the coarsest to the finest spatial resolution. Finally, we show that these extensions can be easily adapted to the three other NN-DB methods (ModeSeek, knnClust, knnDPC) for pixel clustering in large HSIs. Experiments are conducted to compare the four NN-DB methods for pixel clustering in HSIs. We show that NN-DB methods can outperform a classical clustering method such as fuzzy c-means (FCM), in terms of classification accuracy, relevance of found clusters, and clustering speed. Finally, we demonstrate the feasibility and evaluate the performances of NN-DB methods on a very large image acquired by our AISA Eagle hyperspectral imaging sensor.

A WISE Survey of New Star Clusters in the Central Plane Region of the Milky Way

NASA Astrophysics Data System (ADS)

Ryu, Jinhyuk; Lee, Myung Gyoon

2018-04-01

We present the discovery of new star clusters in the central plane region (| l| < 30^\\circ and | b| < 6^\\circ ) of the Milky Way. In order to overcome the extinction problem and the spatial limit of previous surveys, we use the Wide-field Infrared Survey Explorer (WISE) data to find clusters. We also use other infrared survey data in the archive for additional analysis. We find 923 new clusters, of which 202 clusters are embedded clusters. These clusters are concentrated toward the Galactic plane and show a symmetric distribution with respect to the Galactic latitude. The embedded clusters show a stronger concentration to the Galactic plane than the nonembedded clusters. The new clusters are found more in the first Galactic quadrant, while previously known clusters are found more in the fourth Galactic quadrant. The spatial distribution of the combined sample of known clusters and new clusters is approximately symmetric with respect to the Galactic longitude. We estimate reddenings, distances, and relative ages of the 15 class A clusters using theoretical isochrones. Ten of them are relatively old (age >800 Myr) and five are young (age ≈4 Myr).

Impact of a star formation efficiency profile on the evolution of open clusters

NASA Astrophysics Data System (ADS)

Shukirgaliyev, B.; Parmentier, G.; Berczik, P.; Just, A.

2017-09-01

Aims: We study the effect of the instantaneous expulsion of residual star-forming gas on star clusters in which the residual gas has a density profile that is shallower than that of the embedded cluster. This configuration is expected if star formation proceeds with a given star-formation efficiency per free-fall time in a centrally concentrated molecular gas clump. Methods: We performed direct N-body simulations whose initial conditions were generated by the program "mkhalo" from the package "falcON", adapted for our models. Our model clusters initially had a Plummer profile and are in virial equilibrium with the gravitational potential of the cluster-forming clump. The residual gas contribution was computed based on a local-density driven clustered star formation model. Our simulations included mass loss by stellar evolution and the tidal field of a host galaxy. Results: We find that a star cluster with a minimum global star formation efficiency (SFE) of 15 percent is able to survive instantaneous gas expulsion and to produce a bound cluster. Its violent relaxation lasts no longer than 20 Myr, independently of its global SFE and initial stellar mass. At the end of violent relaxation, the bound fractions of the surviving clusters with the same global SFEs are similar, regardless of their initial stellar mass. Their subsequent lifetime in the gravitational field of the Galaxy depends on their bound stellar masses. Conclusions: We therefore conclude that the critical SFE needed to produce a bound cluster is 15 percent, which is roughly half the earlier estimates of 33 percent. Thus we have improved the survival likelihood of young clusters after instantaneous gas expulsion. Young clusters can now survive instantaneous gas expulsion with a global SFEs as low as the SFEs observed for embedded clusters in the solar neighborhood (15-30 percent). The reason is that the star cluster density profile is steeper than that of the residual gas. However, in terms of the effective SFE, measured by the virial ratio of the cluster at gas expulsion, our results are in agreement with previous studies.

New mechanisms of cluster diffusion on metal fcc(100) surfaces

NASA Astrophysics Data System (ADS)

Trushin, Oleg; Salo, Petri; Alatalo, Matti; Ala-Nissila, Tapio

2001-03-01

We have studied atomic mechanisms of the diffusion of small clusters on the fcc(100) metal surfaces using semi-empirical and ab-initio molecular static calculations. Primary goal of these studies was to investigate possible many-body mechanisms of cluster motion which can contribute to low temperature crystal growth. We used embedded atom and Glue potentials in semi-empirical simulations of Cu and Al. Combination of the Nudged Elastic Band and Eigenvector Following methods allowed us to find all the possible transition paths for cluster movements on flat terrace. In case of Cu(001) we have found several new mechanisms for diffusion of clusters, including mechanisms called row-shearing and dimer-rotating in which a whole row inside an island moves according to a concerted jump and a dimer rotates at the periphery of an island, respectively. In some cases these mechanisms yield a lower energy barrier than the standard mechanisms.

Deep near-infrared adaptive-optics observations of a young embedded cluster at the edge of the RCW 41 H II region

NASA Astrophysics Data System (ADS)

Neichel, B.; Samal, M. R.; Plana, H.; Zavagno, A.; Bernard, A.; Fusco, T.

2015-04-01

Aims: We investigate the star formation activity in a young star forming cluster embedded at the edge of the RCW 41 H ii region. As a complementary goal, we aim to demonstrate the gain provided by wide-field adaptive optics (WFAO) instruments to study young clusters. Methods: We used deep, JHKs images from the newly commissioned Gemini-GeMS/GSAOI instrument, complemented with Spitzer IRAC observations, in order to study the photometric properties of the young stellar cluster. GeMS is a WFAO instrument that delivers almost diffraction-limited images over a field of ~2' across. The exquisite angular resolution allows us to reach a limiting magnitude of J ~ 22 for 98% completeness. The combination of the IRAC photometry with our JHKs catalog is used to build color-color diagrams, and select young stellar object (YSO) candidates. The JHKs photometry is also used in conjunction with pre-main sequence evolutionary models to infer masses and ages. The K-band luminosity function is derived, and then used to build the initial mass function (IMF) of the cluster. Results: We detect the presence of 80 YSO candidates. Those YSOs are used to infer the cluster age, which is found to be in the range 1 to 5 Myr. More precisely, we find that 1/3 of the YSOs are in a range between 3 to 5 Myr, while 2/3 of the YSO are ≤3 Myr. When looking at the spatial distribution of these two populations, we find evidence of a potential age gradient across the field that suggests sequential star formation. We construct the IMF and show that we can sample the mass distribution well into the brown dwarf regime (down to ~0.01 M⊙). The logarithmic mass function rises to peak at ~0.3 M⊙, before turning over and declining into the brown dwarf regime. The total cluster mass derived is estimated to be 78 ± 18 M⊙, while the ratio derived of brown dwarfs to star is 18 ± 5%. When comparing it with other young clusters, we find that the IMF shape of the young cluster embedded within RCW 41 is consistent with those of Trapezium, IC 348, or Chamaeleon I, except for the IMF peak, which happens to be at higher mass. This characteristic is also seen in clusters like NGC 6611 or even Taurus. These results suggest that the medium-to-low mass end of the IMF possibly depends on environment.

Micromagnetics on high-performance workstation and mobile computational platforms

NASA Astrophysics Data System (ADS)

Fu, S.; Chang, R.; Couture, S.; Menarini, M.; Escobar, M. A.; Kuteifan, M.; Lubarda, M.; Gabay, D.; Lomakin, V.

2015-05-01

The feasibility of using high-performance desktop and embedded mobile computational platforms is presented, including multi-core Intel central processing unit, Nvidia desktop graphics processing units, and Nvidia Jetson TK1 Platform. FastMag finite element method-based micromagnetic simulator is used as a testbed, showing high efficiency on all the platforms. Optimization aspects of improving the performance of the mobile systems are discussed. The high performance, low cost, low power consumption, and rapid performance increase of the embedded mobile systems make them a promising candidate for micromagnetic simulations. Such architectures can be used as standalone systems or can be built as low-power computing clusters.

Electronic structure and orientation relationship of Li nanoclusters embedded in MgO studied by depth-selective positron annihilation two-dimensional angular correlation

NASA Astrophysics Data System (ADS)

Falub, C. V.; Mijnarends, P. E.; Eijt, S. W.; van Huis, M. A.; van Veen, A.; Schut, H.

2002-08-01

Quantum-confined positrons are sensitive probes for determining the electronic structure of nanoclusters embedded in materials. In this work, a depth-selective positron annihilation 2D-ACAR (two-dimensional angular correlation of annihilation radiation) method is used to determine the electronic structure of Li nanoclusters formed by implantation of 1016-cm-2 30-keV 6Li ions in MgO (100) and (110) crystals and by subsequent annealing at 950 K. Owing to the difference between the positron affinities of lithium and MgO, the Li nanoclusters act as quantum dots for positrons. 2D-ACAR distributions for different projections reveal a semicoherent fitting of the embedded metallic Li nanoclusters to the host MgO lattice. Ab initio Korringa-Kohn-Rostoker calculations of the momentum density show that the anisotropies of the experimental distributions are consistent with an fcc crystal structure of the Li nanoclusters. The observed reduction of the width of the experimental 2D-ACAR distribution is attributed to positron trapping in vacancies associated with Li clusters. This work proposes a method for studying the electronic structure of metallic quantum dots embedded in an insulating material.

Nanocomposite TiN films with embedded MoS2 inorganic fullerenes produced by combining supersonic cluster beam deposition with cathodic arc reactive evaporation

NASA Astrophysics Data System (ADS)

Piazzoni, C.; Blomqvist, M.; Podestà, A.; Bardizza, G.; Bonati, M.; Piseri, P.; Milani, P.; Davies, C.; Hatto, P.; Ducati, C.; Sedláčková, K.; Radnóczi, G.

2008-01-01

We report the production and characterization of nanocomposite thin films consisting of a titanium nitride matrix with embedded molybdenum disulphide fullerene-like nanoparticles. This was achieved by combining a cluster source generating a pulsed supersonic beam of MoS2 clusters with an industrial cathodic arc reactive evaporation apparatus used for TiN deposition. Cluster-assembled films show the presence of MoS2 nanocages and nanostructures and the survival of such structures dispersed in the TiN matrix in the co-deposited samples. Nanotribological characterization by atomic force microscopy shows that the presence of MoS2 nanoparticles even in very low concentration modifies the behaviour of the TiN matrix.

Rotation in young massive star clusters

NASA Astrophysics Data System (ADS)

Mapelli, Michela

2017-05-01

Hydrodynamical simulations of turbulent molecular clouds show that star clusters form from the hierarchical merger of several sub-clumps. We run smoothed-particle hydrodynamics simulations of turbulence-supported molecular clouds with mass ranging from 1700 to 43 000 M⊙. We study the kinematic evolution of the main cluster that forms in each cloud. We find that the parent gas acquires significant rotation, because of large-scale torques during the process of hierarchical assembly. The stellar component of the embedded star cluster inherits the rotation signature from the parent gas. Only star clusters with final mass < few × 100 M⊙ do not show any clear indication of rotation. Our simulated star clusters have high ellipticity (˜0.4-0.5 at t = 4 Myr) and are subvirial (Qvir ≲ 0.4). The signature of rotation is stronger than radial motions due to subvirial collapse. Our results suggest that rotation is common in embedded massive (≳1000 M⊙) star clusters. This might provide a key observational test for the hierarchical assembly scenario.

Fast Constrained Spectral Clustering and Cluster Ensemble with Random Projection

PubMed Central

Liu, Wenfen

2017-01-01

Constrained spectral clustering (CSC) method can greatly improve the clustering accuracy with the incorporation of constraint information into spectral clustering and thus has been paid academic attention widely. In this paper, we propose a fast CSC algorithm via encoding landmark-based graph construction into a new CSC model and applying random sampling to decrease the data size after spectral embedding. Compared with the original model, the new algorithm has the similar results with the increase of its model size asymptotically; compared with the most efficient CSC algorithm known, the new algorithm runs faster and has a wider range of suitable data sets. Meanwhile, a scalable semisupervised cluster ensemble algorithm is also proposed via the combination of our fast CSC algorithm and dimensionality reduction with random projection in the process of spectral ensemble clustering. We demonstrate by presenting theoretical analysis and empirical results that the new cluster ensemble algorithm has advantages in terms of efficiency and effectiveness. Furthermore, the approximate preservation of random projection in clustering accuracy proved in the stage of consensus clustering is also suitable for the weighted k-means clustering and thus gives the theoretical guarantee to this special kind of k-means clustering where each point has its corresponding weight. PMID:29312447

Ground state structure of random magnets

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

Bastea, S.; Duxbury, P.M.

1998-10-01

Using exact optimization methods, we find all of the ground states of ({plus_minus}h) random-field Ising magnets (RFIM) and of dilute antiferromagnets in a field (DAFF). The degenerate ground states are usually composed of isolated clusters (two-level systems) embedded in a frozen background. We calculate the paramagnetic response (sublattice response) and the ground state entropy for the RFIM (DAFF) due to these clusters. In both two and three dimensions there is a broad regime in which these quantities are strictly positive, even at irrational values of h/J (J is the exchange constant). {copyright} {ital 1998} {ital The American Physical Society}

A clustering package for nucleotide sequences using Laplacian Eigenmaps and Gaussian Mixture Model.

PubMed

Bruneau, Marine; Mottet, Thierry; Moulin, Serge; Kerbiriou, Maël; Chouly, Franz; Chretien, Stéphane; Guyeux, Christophe

2018-02-01

In this article, a new Python package for nucleotide sequences clustering is proposed. This package, freely available on-line, implements a Laplacian eigenmap embedding and a Gaussian Mixture Model for DNA clustering. It takes nucleotide sequences as input, and produces the optimal number of clusters along with a relevant visualization. Despite the fact that we did not optimise the computational speed, our method still performs reasonably well in practice. Our focus was mainly on data analytics and accuracy and as a result, our approach outperforms the state of the art, even in the case of divergent sequences. Furthermore, an a priori knowledge on the number of clusters is not required here. For the sake of illustration, this method is applied on a set of 100 DNA sequences taken from the mitochondrially encoded NADH dehydrogenase 3 (ND3) gene, extracted from a collection of Platyhelminthes and Nematoda species. The resulting clusters are tightly consistent with the phylogenetic tree computed using a maximum likelihood approach on gene alignment. They are coherent too with the NCBI taxonomy. Further test results based on synthesized data are then provided, showing that the proposed approach is better able to recover the clusters than the most widely used software, namely Cd-hit-est and BLASTClust. Copyright © 2017 Elsevier Ltd. All rights reserved.

New detections of embedded clusters in the Galactic halo

NASA Astrophysics Data System (ADS)

Camargo, D.; Bica, E.; Bonatto, C.

2016-09-01

Context. Until recently it was thought that high Galactic latitude clouds were a non-star-forming ensemble. However, in a previous study we reported the discovery of two embedded clusters (ECs) far away from the Galactic plane (~ 5 kpc). In our recent star cluster catalogue we provided additional high and intermediate latitude cluster candidates. Aims: This work aims to clarify whether our previous detection of star clusters far away from the disc represents just an episodic event or whether star cluster formation is currently a systematic phenomenon in the Galactic halo. We analyse the nature of four clusters found in our recent catalogue and report the discovery of three new ECs each with an unusually high latitude and distance from the Galactic disc midplane. Methods: The analysis is based on 2MASS and WISE colour-magnitude diagrams (CMDs), and stellar radial density profiles (RDPs). The CMDs are built by applying a field-star decontamination procedure, which uncovers the cluster's intrinsic CMD morphology. Results: All of these clusters are younger than 5 Myr. The high-latitude ECs C 932, C 934, and C 939 appear to be related to a cloud complex about 5 kpc below the Galactic disc, under the Local arm. The other clusters are above the disc, C 1074 and C 1100 with a vertical distance of ~3 kpc, C 1099 with ~ 2 kpc, and C 1101 with ~1.8 kpc. Conclusions: According to the derived parameters ECs located below and above the disc occur, which gives evidence of widespread star cluster formation throughout the Galactic halo. This study therefore represents a paradigm shift, by demonstrating that a sterile halo must now be understood as a host for ongoing star formation. The origin and fate of these ECs remain open. There are two possibilities for their origin, Galactic fountains or infall. The discovery of ECs far from the disc suggests that the Galactic halo is more actively forming stars than previously thought. Furthermore, since most ECs do not survive the infant mortality, stars may be raining from the halo into the disc, and/or the halo may be harbouring generations of stars formed in clusters like those detected in our survey.

Ab initio model potential calculations on the electronic spectrum of Ni2 + -doped MgO including correlation, spin-orbit and embedding effects

NASA Astrophysics Data System (ADS)

Llusar, Rosa; Casarrubios, Marcos; Barandiarán, Zoila; Seijo, Luis

1996-10-01

An ab initio theoretical study of the optical absorption spectrum of Ni2+-doped MgO has been conducted by means of calculations in a MgO-embedded (NiO6)10-cluster. The calculations include long- and short-range embedding effects of electrostatic and quantum nature brought about by the MgO crystalline lattice, as well as electron correlation and spin-orbit effects within the (NiO6)10- cluster. The spin-orbit calculations have been performed using the spin-orbit-CI WB-AIMP method [Chem. Phys. Lett. 147, 597 (1988); J. Chem. Phys. 102, 8078 (1995)] which has been recently proposed and is applied here for the first time to the field of impurities in crystals. The WB-AIMP method is extended in order to handle correlation effects which, being necessary to produce accurate energy differences between spin-free states, are not needed for the proper calculation of spin-orbit couplings. The extension of the WB-AIMP method, which is also aimed at keeping the size of the spin-orbit-CI within reasonable limits, is based on the use of spin-free-state shifting operators. It is shown that the unreasonable spin-orbit splittings obtained for MgO:Ni2+ in spin-orbit-CI calculations correlating only 8 electrons become correct when the proposed extension is applied, so that the same CI space is used but energy corrections due to correlating up to 26 electrons are included. The results of the ligand field spectrum of MgO:Ni2+ show good overall agreement with the experimental measurements and a reassignment of the observed Eg(b3T1g) excited state is proposed and discussed.

Identification of temporal variations in mental workload using locally-linear-embedding-based EEG feature reduction and support-vector-machine-based clustering and classification techniques.

PubMed

Yin, Zhong; Zhang, Jianhua

2014-07-01

Identifying the abnormal changes of mental workload (MWL) over time is quite crucial for preventing the accidents due to cognitive overload and inattention of human operators in safety-critical human-machine systems. It is known that various neuroimaging technologies can be used to identify the MWL variations. In order to classify MWL into a few discrete levels using representative MWL indicators and small-sized training samples, a novel EEG-based approach by combining locally linear embedding (LLE), support vector clustering (SVC) and support vector data description (SVDD) techniques is proposed and evaluated by using the experimentally measured data. The MWL indicators from different cortical regions are first elicited by using the LLE technique. Then, the SVC approach is used to find the clusters of these MWL indicators and thereby to detect MWL variations. It is shown that the clusters can be interpreted as the binary class MWL. Furthermore, a trained binary SVDD classifier is shown to be capable of detecting slight variations of those indicators. By combining the two schemes, a SVC-SVDD framework is proposed, where the clear-cut (smaller) cluster is detected by SVC first and then a subsequent SVDD model is utilized to divide the overlapped (larger) cluster into two classes. Finally, three-class MWL levels (low, normal and high) can be identified automatically. The experimental data analysis results are compared with those of several existing methods. It has been demonstrated that the proposed framework can lead to acceptable computational accuracy and has the advantages of both unsupervised and supervised training strategies. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Clustering Tree-structured Data on Manifold

PubMed Central

Lu, Na; Miao, Hongyu

2016-01-01

Tree-structured data usually contain both topological and geometrical information, and are necessarily considered on manifold instead of Euclidean space for appropriate data parameterization and analysis. In this study, we propose a novel tree-structured data parameterization, called Topology-Attribute matrix (T-A matrix), so the data clustering task can be conducted on matrix manifold. We incorporate the structure constraints embedded in data into the non-negative matrix factorization method to determine meta-trees from the T-A matrix, and the signature vector of each single tree can then be extracted by meta-tree decomposition. The meta-tree space turns out to be a cone space, in which we explore the distance metric and implement the clustering algorithm based on the concepts like Fréchet mean. Finally, the T-A matrix based clustering (TAMBAC) framework is evaluated and compared using both simulated data and real retinal images to illus trate its efficiency and accuracy. PMID:26660696

Charge-controlled switchable CO adsorption on FeN4 cluster embedded in graphene

NASA Astrophysics Data System (ADS)

Omidvar, Akbar

2018-02-01

Electrical charging of an FeN4 cluster embedded in graphene (FeN4G) is proposed as an approach for electrocatalytically switchable carbon monoxide (CO) adsorption. Using density functional theory (DFT), we found that the CO molecule is strongly adsorbed on the uncharged FeN4G cluster. Our results show that the adsorption energy of a CO molecule on the FeN4G cluster is dramatically decreased by introducing extra electrons into the cluster. Once the charges are removed, the CO molecule is spontaneously adsorbed on the FeN4G absorbent. In the framework of frontier molecular orbital (FMO) analysis, the enhanced sensitivity and reactivity of the FeN4G cluster towards the CO molecule can be interpreted in terms of interaction between the HOMO of CO molecule and the LUMO of FeN4G cluster. Therefore, this approach promises both facile reversibility and tunable kinetics without the need of specific catalysts. Our study indicates that the FeN4G nanomaterial is an excellent absorbent for controllable and reversible capture and release of the CO.

Consensus embedding: theory, algorithms and application to segmentation and classification of biomedical data

PubMed Central

2012-01-01

Background Dimensionality reduction (DR) enables the construction of a lower dimensional space (embedding) from a higher dimensional feature space while preserving object-class discriminability. However several popular DR approaches suffer from sensitivity to choice of parameters and/or presence of noise in the data. In this paper, we present a novel DR technique known as consensus embedding that aims to overcome these problems by generating and combining multiple low-dimensional embeddings, hence exploiting the variance among them in a manner similar to ensemble classifier schemes such as Bagging. We demonstrate theoretical properties of consensus embedding which show that it will result in a single stable embedding solution that preserves information more accurately as compared to any individual embedding (generated via DR schemes such as Principal Component Analysis, Graph Embedding, or Locally Linear Embedding). Intelligent sub-sampling (via mean-shift) and code parallelization are utilized to provide for an efficient implementation of the scheme. Results Applications of consensus embedding are shown in the context of classification and clustering as applied to: (1) image partitioning of white matter and gray matter on 10 different synthetic brain MRI images corrupted with 18 different combinations of noise and bias field inhomogeneity, (2) classification of 4 high-dimensional gene-expression datasets, (3) cancer detection (at a pixel-level) on 16 image slices obtained from 2 different high-resolution prostate MRI datasets. In over 200 different experiments concerning classification and segmentation of biomedical data, consensus embedding was found to consistently outperform both linear and non-linear DR methods within all applications considered. Conclusions We have presented a novel framework termed consensus embedding which leverages ensemble classification theory within dimensionality reduction, allowing for application to a wide range of high-dimensional biomedical data classification and segmentation problems. Our generalizable framework allows for improved representation and classification in the context of both imaging and non-imaging data. The algorithm offers a promising solution to problems that currently plague DR methods, and may allow for extension to other areas of biomedical data analysis. PMID:22316103

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding.

PubMed

Krause, Katharina; Klopper, Wim

2016-01-28

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding

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

Krause, Katharina; Klopper, Wim, E-mail: klopper@kit.edu

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

DOE PAGES

LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; ...

2015-12-14

Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification ofmore » uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.« less

Theoretical research program to study transition metal trimers and embedded clusters

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1987-01-01

The results of ab-initio calculations are reported for (1) small transition metal clusters and (2) potential energy surfaces for chemical reactions important in hydrogen combustion and high temperature air chemistry.

The GALAH survey: chemical tagging of star clusters and new members in the Pleiades

NASA Astrophysics Data System (ADS)

Kos, Janez; Bland-Hawthorn, Joss; Freeman, Ken; Buder, Sven; Traven, Gregor; De Silva, Gayandhi M.; Sharma, Sanjib; Asplund, Martin; Duong, Ly; Lin, Jane; Lind, Karin; Martell, Sarah; Simpson, Jeffrey D.; Stello, Dennis; Zucker, Daniel B.; Zwitter, Tomaž; Anguiano, Borja; Da Costa, Gary; D'Orazi, Valentina; Horner, Jonathan; Kafle, Prajwal R.; Lewis, Geraint; Munari, Ulisse; Nataf, David M.; Ness, Melissa; Reid, Warren; Schlesinger, Katie; Ting, Yuan-Sen; Wyse, Rosemary

2018-02-01

The technique of chemical tagging uses the elemental abundances of stellar atmospheres to 'reconstruct' chemically homogeneous star clusters that have long since dispersed. The GALAH spectroscopic survey - which aims to observe one million stars using the Anglo-Australian Telescope - allows us to measure up to 30 elements or dimensions in the stellar chemical abundance space, many of which are not independent. How to find clustering reliably in a noisy high-dimensional space is a difficult problem that remains largely unsolved. Here, we explore t-distributed stochastic neighbour embedding (t-SNE) - which identifies an optimal mapping of a high-dimensional space into fewer dimensions - whilst conserving the original clustering information. Typically, the projection is made to a 2D space to aid recognition of clusters by eye. We show that this method is a reliable tool for chemical tagging because it can: (i) resolve clustering in chemical space alone, (ii) recover known open and globular clusters with high efficiency and low contamination, and (iii) relate field stars to known clusters. t-SNE also provides a useful visualization of a high-dimensional space. We demonstrate the method on a data set of 13 abundances measured in the spectra of 187 000 stars by the GALAH survey. We recover seven of the nine observed clusters (six globular and three open clusters) in chemical space with minimal contamination from field stars and low numbers of outliers. With chemical tagging, we also identify two Pleiades supercluster members (which we confirm kinematically), one as far as 6° - one tidal radius away from the cluster centre.

Key-Node-Separated Graph Clustering and Layouts for Human Relationship Graph Visualization.

PubMed

Itoh, Takayuki; Klein, Karsten

2015-01-01

Many graph-drawing methods apply node-clustering techniques based on the density of edges to find tightly connected subgraphs and then hierarchically visualize the clustered graphs. However, users may want to focus on important nodes and their connections to groups of other nodes for some applications. For this purpose, it is effective to separately visualize the key nodes detected based on adjacency and attributes of the nodes. This article presents a graph visualization technique for attribute-embedded graphs that applies a graph-clustering algorithm that accounts for the combination of connections and attributes. The graph clustering step divides the nodes according to the commonality of connected nodes and similarity of feature value vectors. It then calculates the distances between arbitrary pairs of clusters according to the number of connecting edges and the similarity of feature value vectors and finally places the clusters based on the distances. Consequently, the technique separates important nodes that have connections to multiple large clusters and improves the visibility of such nodes' connections. To test this technique, this article presents examples with human relationship graph datasets, including a coauthorship and Twitter communication network dataset.

Visualization and unsupervised predictive clustering of high-dimensional multimodal neuroimaging data.

PubMed

Mwangi, Benson; Soares, Jair C; Hasan, Khader M

2014-10-30

Neuroimaging machine learning studies have largely utilized supervised algorithms - meaning they require both neuroimaging scan data and corresponding target variables (e.g. healthy vs. diseased) to be successfully 'trained' for a prediction task. Noticeably, this approach may not be optimal or possible when the global structure of the data is not well known and the researcher does not have an a priori model to fit the data. We set out to investigate the utility of an unsupervised machine learning technique; t-distributed stochastic neighbour embedding (t-SNE) in identifying 'unseen' sample population patterns that may exist in high-dimensional neuroimaging data. Multimodal neuroimaging scans from 92 healthy subjects were pre-processed using atlas-based methods, integrated and input into the t-SNE algorithm. Patterns and clusters discovered by the algorithm were visualized using a 2D scatter plot and further analyzed using the K-means clustering algorithm. t-SNE was evaluated against classical principal component analysis. Remarkably, based on unlabelled multimodal scan data, t-SNE separated study subjects into two very distinct clusters which corresponded to subjects' gender labels (cluster silhouette index value=0.79). The resulting clusters were used to develop an unsupervised minimum distance clustering model which identified 93.5% of subjects' gender. Notably, from a neuropsychiatric perspective this method may allow discovery of data-driven disease phenotypes or sub-types of treatment responders. Copyright © 2014 Elsevier B.V. All rights reserved.

Electron-induced chemistry in imidazole clusters embedded in helium nanodroplets

NASA Astrophysics Data System (ADS)

Kuhn, Martin; Raggl, Stefan; Martini, Paul; Gitzl, Norbert; Darian, Masoomeh Mahmoodi; Goulart, Marcelo; Postler, Johannes; Feketeová, Linda; Scheier, Paul

2018-02-01

Electron-induced chemistry in imidazole (IMI) clusters embedded in helium nanodroplets (with an average size of 2 × 105 He atoms) has been investigated with high-resolution time-of-flight mass spectrometry. The formation of both, negative and positive, ions was monitored as a function of the cluster size n. In both ion spectra a clear series of peaks with IMI cluster sizes up to at least 25 are observed. While the anions are formed by collisions of IMI n with He*-, the cations are formed through ionization of IMI n by He+ as the measured onset for the cation formation is observed at 24.6 eV (ionization energy of He). The most abundant series of anions are dehydrogenated anions IMI n-1(IMI-H)-, while other anion series are IMI clusters involving CN and C2H4 moieties. The formation of cations is dominated by the protonated cluster ions IMI n H+, while the intensity of parent cluster cations IMI n + is also observed preferentially for the small cluster size n. The observation of series of cluster cations [IMI n CH3]+ suggests either CH3+ cation to be solvated by n neutral IMI molecules, or the electron-induced chemistry has led to the formation of protonated methyl-imidazole solvated by ( n - 1) neutral IMI molecules.

X-Ray Gas Temperatures in the Arc Clusters MS0440+204 and MS0302+1658

NASA Technical Reports Server (NTRS)

Gioia, Isabella M.; White, Nicholas

1997-01-01

The cluster of galaxies MS0440+02, originally discovered through its X-ray emission, was part of an optical observational program to search for arcs and arclets in a complete sample of X-ray luminous, medium-distant clusters of galaxies. Mauna Kea CCD images of MS0440+02 showed a remarkable optical morphology. The core of the cluster contains 6 bright galaxies and numerous fainter ones embedded in a low surface brightness halo. Besides, MS0440+02 is the most spectacular example that we have found of an arc system in a compact condensed cluster, with arcs symmetrically distributed to draw almost perfect circles around the cluster center. Giant arcs are magnified images of distant galaxies, gravitationally distorted by massive foreground clusters. It is of great importance to compare the results of the lensing studies with those derived from X-ray observations, as the two are independent methods of studying the mass distribution. Thus MS0440+02 was the ideal target to obtain temperature measurement with ASCA and good spatial resolution X-ray observations with ROSAT. The X-ray data have been used in conjunction with Hubble Space Telescope observations to put more stringent constrains on the mass estimates. Most of the different wavelength datasets have been reduced and analyzed. Mass determinations have been separately obtained from galaxy virial motions and X-ray profile fitting using the cluster gas temperature as measured by the ASCA satellite. Assuming that the hot gas is in hydrostatic equilibrium and in a spherical potential, we find from the X-ray data a mass distribution profile that is well described by a Beta model. From the multiple images formed by gravitational lensing (HST data) using the modelling of the gravitational lensed arcs, we have derived Beta model. To reconcile the mass estimates we have explored the possibility of having a supercluster surrounding the MOS0440 cluster, that is a model with two isothermal spheres, one embedded inside the other. These results have been published or are in press.

From molecules to young stellar clusters: the star formation cycle across the disk of M 33

NASA Astrophysics Data System (ADS)

Corbelli, Edvige; Braine, Jonathan; Bandiera, Rino; Brouillet, Nathalie; Combes, Françoise; Druard, Clément; Gratier, Pierre; Mata, Jimmy; Schuster, Karl; Xilouris, Manolis; Palla, Francesco

2017-05-01

Aims: We study the association between giant molecular clouds (GMCs) and young stellar cluster candidates (YSCCs) to shed light on the time evolution of local star formation episodes in the nearby galaxy M 33. Methods: The CO (J = 2-1) IRAM all-disk survey was used to identify and classify 566 GMCs with masses between 2 × 104 and 2 × 106M⊙ across the whole star-forming disk of M 33. In the same area, there are 630 YSCCs that we identified using Spitzer-24 μm data. Some YSCCs are embedded star-forming sites, while the majority have GALEX-UV and Hα counterparts with estimated cluster masses and ages. Results: The GMC classes correspond to different cloud evolutionary stages: inactive clouds are 32% of the total and classified clouds with embedded and exposed star formation are 16% and 52% of the total, respectively. Across the regular southern spiral arm, inactive clouds are preferentially located in the inner part of the arm, possibly suggesting a triggering of star formation as the cloud crosses the arm. The spatial correlation between YSCCs and GMCs is extremely strong, with a typical separation of 17 pc. This is less than half the CO (2-1) beam size and illustrates the remarkable physical link between the two populations. GMCs and YSCCs follow the HI filaments, except in the outermost regions, where the survey finds fewer GMCs than YSCCs, which is most likely due to undetected clouds with low CO luminosity. The distribution of the non-embedded YSCC ages peaks around 5 Myr, with only a few being as old as 8-10 Myr. These age estimates together with the number of GMCs in the various evolutionary stages lead us to conclude that 14 Myr is the typical lifetime of a GMC in M 33 prior to cloud dispersal. The inactive and embedded phases are short, lasting about 4 and 2 Myr, respectively. This underlines that embedded YSCCs rapidly break out from the clouds and become partially visible in Hα or UV long before cloud dispersal. Full Tables 5 and 6 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A146

Study on the structural transition of CoNi nanoclusters using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Xia, J. H.; Gao, Xue-Mei

2018-04-01

In this work, the segregation and structural transitions of CoNi clusters, between 1500 and 300 K, have been investigated using molecular dynamics simulations with the embedded atom method potential. The radial distribution function was used to analyze the segregation during the cooling processes. It is found that Co atoms segregate to the inside and Ni atoms preferably to the surface during the cooling processes, the Co147Ni414 cluster becomes a core-shell structure. We discuss the structural transition according to the pair-correction function and pair-analysis technique, and finally the liquid Co147Ni414 crystallizes into the coexistence of hcp and fcc structure at 300 K. At the same time, it is found that the frozen structure of CoNi cluster is strongly related to the Co concentration.

Beam power-dependent laser-induced fluorescence radiation quenching of silver-ion-exchanged glasses

NASA Astrophysics Data System (ADS)

Nahal, Arashmid; Khalesifard, Hamid Reza M.

2007-04-01

In this article, results of an investigation about the modification of silver ions embedded in a glass matrix under the action of a CW high-power Ar + laser beam, by means of laser-induced fluorescence, is reported. It is known [A. Nahal, H.R.M. Khalesifard, J. Mostafavi-Amjad, Appl. Phys. B 79 (2004) 513-518] that, as a result of the interaction of the laser beam with the sample, the embedded silver ions reduce to neutral ones and silver clusters are formed. We observed that the fluorescence radiation of the central part of the interaction area, on the sample, diminishes simultaneously with the formation of the neutral clusters. Further increase in the exposure time or the power of the beam results in reappearance of the fluorescence radiation, in the central part of the interaction area. We found that, during and after the interaction the spectrum of the fluorescence radiation changes. This makes it possible to study the laser-induced changes in the embedded silver ions and clusters, in real-time.

First-principles calculations of Ti and O NMR chemical shift tensors in ferroelectric perovskites

NASA Astrophysics Data System (ADS)

Pechkis, Daniel; Walter, Eric; Krakauer, Henry

2011-03-01

Complementary chemical shift calculations were carried out with embedded clusters, using quantum chemistry methods, and with periodic boundary conditions, using the GIPAW approach within the Quantum Espresso package. Compared to oxygen chemical shifts, δ̂ (O), cluster calculations for δ̂ (Ti) were found to be more sensitive to size effects, termination, and choice of gaussian-type atomic basis set, while GIPAW results were found to be more sensitive to the pseudopotential construction. The two approaches complemented each other in optimizing these factors. We show that the two approaches yield comparable chemical shifts for suitably converged simulations, and results are compared with available experimental measurements. Supported by ONR.

A Kinematic Survey in the Perseus Molecular Cloud: Results from the APOGEE Infrared Survey of Young Nebulous Clusters (IN-SYNC)

NASA Astrophysics Data System (ADS)

Covey, Kevin R.; Cottaar, M.; Foster, J. B.; Nidever, D. L.; Meyer, M.; Tan, J.; Da Rio, N.; Flaherty, K. M.; Stassun, K.; Frinchaboy, P. M.; Majewski, S.; APOGEE IN-SYNC Team

2014-01-01

Demographic studies of stellar clusters indicate that relatively few persist as bound structures for 100 Myrs or longer. If cluster dispersal is a 'violent' process, it could strongly influence the formation and early evolution of stellar binaries and planetary systems. Unfortunately, measuring the dynamical state of 'typical' (i.e., ~300-1000 member) young star clusters has been difficult, particularly for clusters still embedded within their parental molecular cloud. The near-infrared spectrograph for the Apache Point Observatory Galactic Evolution Experiment (APOGEE), which can measure precise radial velocities for 230 cluster stars simultaneously, is uniquely suited to diagnosing the dynamics of Galactic star formation regions. We give an overview of the INfrared Survey of Young Nebulous Clusters (IN-SYNC), an APOGEE ancillary science program that is carrying out a comparative study of young clusters in the Perseus molecular cloud: NGC 1333, a heavily embedded cluster, and IC 348, which has begun to disperse its surrounding molecular gas. These observations appear to rule out a significantly super-virial velocity dispersion in IC 348, contrary to predictions of models where a cluster's dynamics is strongly influenced by the dispersal of its primordial gas. We also summarize the properties of two newly identified spectroscopic binaries; binary systems such as these play a key role in the dynamical evolution of young clusters, and introduce velocity offsets that must be accounted for in measuring cluster velocity dispersions.

Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effects.

PubMed

Qi, Helena W; Leverentz, Hannah R; Truhlar, Donald G

2013-05-30

This work presents a new fragment method, the electrostatically embedded many-body expansion of the nonlocal energy (EE-MB-NE), and shows that it, along with the previously proposed electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), produces accurate results for large systems at the level of CCSD(T) coupled cluster theory. We primarily study water 16-mers, but we also test the EE-MB-CE method on water hexamers. We analyze the distributions of two-body and three-body terms to show why the many-body expansion of the electrostatically embedded correlation energy converges faster than the many-body expansion of the entire electrostatically embedded interaction potential. The average magnitude of the dimer contributions to the pairwise additive (PA) term of the correlation energy (which neglects cooperative effects) is only one-half of that of the average dimer contribution to the PA term of the expansion of the total energy; this explains why the mean unsigned error (MUE) of the EE-PA-CE approximation is only one-half of that of the EE-PA approximation. Similarly, the average magnitude of the trimer contributions to the three-body (3B) term of the EE-3B-CE approximation is only one-fourth of that of the EE-3B approximation, and the MUE of the EE-3B-CE approximation is one-fourth that of the EE-3B approximation. Finally, we test the efficacy of two- and three-body density functional corrections. One such density functional correction method, the new EE-PA-NE method, with the OLYP or the OHLYP density functional (where the OHLYP functional is the OptX exchange functional combined with the LYP correlation functional multiplied by 0.5), has the best performance-to-price ratio of any method whose computational cost scales as the third power of the number of monomers and is competitive in accuracy in the tests presented here with even the electrostatically embedded three-body approximation.

A populous intermediate-age open cluster and evidence of an embedded cluster among the FSR globular cluster candidates

NASA Astrophysics Data System (ADS)

Bica, E.; Bonatto, C.

2008-03-01

We study the nature of the globular cluster (GC) candidates FSR 1603 and FSR1755 selected from the catalogue of Froebrich, Scholz & Raftery. Their properties are investigated with Two-Micron All-Sky Survey field-star decontaminated photometry, which is used to build colour-magnitude diagrams (CMDs) and stellar radial density profiles. FSR1603 has the open cluster Ruprecht 101 as optical counterpart, and we show it to be a massive intermediate-age cluster. Relevant parameters of FSR1603 are the age ~1Gyr, distance from the Sun dsolar ~ 2.7kpc, Galactocentric distance RGC ~ 6.4kpc, core radius RC ~ 1.1pc, mass function slope χ ~ 1.8, observed stellar mass (for stars with mass in the range 1.27 <= m <= 2.03Msolar) Mobs ~ 500Msolar and a total (extrapolated to m = 0.08Msolar) stellar mass Mtot ~ 2300Msolar. FSR1755, on the other hand, is not a populous cluster. It may be a sparse young cluster embedded in the HII region Sh2-3, subject to an absorption AV ~ 4.1, located at dsolar ~ 1.3kpc. Important field-star contamination, spatially variable heavy dust obscuration, even in Ks, and gas emission characterize its field. A nearly vertical, sparse blue stellar sequence shows up in the CMDs.

Track propagation methods for the correlation of charged tracks with clusters in the calorimeter of the bar PANDA experiment

NASA Astrophysics Data System (ADS)

Nasawasd, T.; Simantathammakul, T.; Herold, C.; Stockmanns, T.; Ritman, J.; Kobdaj, C.

2018-02-01

To classify clusters of hits in the electromagnetic calorimeter (EMC) of bar PANDA (antiProton ANnihilation at DArmstadt), one has to match these EMC clusters with tracks of charged particles reconstructed from hits in the tracking system. Therefore the tracks are propagated to the surface of the EMC and associated with EMC clusters which are nearby and below a cut parameter. In this work, we propose a helix propagator to extrapolate the track from the Straw Tube Tracker (STT) to the inner surface of the EMC instead of the GEANE propagator which is already embedded within the PandaRoot computational framework. The results for both propagation methods show a similar quality, with a 30% gain in CPU time when using the helix propagator. We use Monte-Carlo truth information to compare the particle ID of the EMC clusters with the ID of the extrapolated points, thus deciding upon the correctness of the matches. By varying the cut parameter as a function of transverse momentum and particle type, our simulations show that the purity can be increased by 3-5% compared to the default value which is a constant cut in the bar PANDA simulation framework PandaRoot.

Efficient active waveguiding properties of Mo6 nano-cluster-doped polymer nanotubes

NASA Astrophysics Data System (ADS)

Bigeon, J.; Huby, N.; Amela-Cortes, M.; Molard, Y.; Garreau, A.; Cordier, S.; Bêche, B.; Duvail, J.-L.

2016-06-01

We investigate 1D nanostructures based on a Mo6@SU8 hybrid nanocomposite in which photoluminescent Mo6 clusters are embedded in the photosensitive SU8 resist. Tens of micrometers long Mo6@SU8-based tubular nanostructures were fabricated by the wetting template method, enabling the control of the inner and outer diameter to about 190 nm and 240 nm respectively, as supported by structural and optical characterizations. The image plane optical study of these nanotubes under optical pumping highlights the efficient waveguiding phenomenon of the red luminescence emitted by the clusters. Moreover, the wave vector distribution in the Fourier plane determined by leakage radiation microscopy gives additional features of the emission and waveguiding. First, the anisotropic red luminescence of the whole system can be attributed to the guided mode along the nanotube. Then, a low-loss propagation behavior is evidenced in the Mo6@SU8-based nanotubes. This result contrasts with the weaker waveguiding signature in the case of UV210-based nanotubes embedding PFO (poly(9,9-di-n-octylfluorenyl-2,7-diyl)). It is attributed to the strong reabsorption phenomenon, owing to overlapping between absorption and emission bands in the semi-conducting conjugated polymer PFO. These results make this Mo6@SU8 original class of nanocomposite a promising candidate as nanosources for submicronic photonic integration.

Efficient active waveguiding properties of Mo6 nano-cluster-doped polymer nanotubes.

PubMed

Bigeon, J; Huby, N; Amela-Cortes, M; Molard, Y; Garreau, A; Cordier, S; Bêche, B; Duvail, J-L

2016-06-24

We investigate 1D nanostructures based on a Mo6@SU8 hybrid nanocomposite in which photoluminescent Mo6 clusters are embedded in the photosensitive SU8 resist. Tens of micrometers long Mo6@SU8-based tubular nanostructures were fabricated by the wetting template method, enabling the control of the inner and outer diameter to about 190 nm and 240 nm respectively, as supported by structural and optical characterizations. The image plane optical study of these nanotubes under optical pumping highlights the efficient waveguiding phenomenon of the red luminescence emitted by the clusters. Moreover, the wave vector distribution in the Fourier plane determined by leakage radiation microscopy gives additional features of the emission and waveguiding. First, the anisotropic red luminescence of the whole system can be attributed to the guided mode along the nanotube. Then, a low-loss propagation behavior is evidenced in the Mo6@SU8-based nanotubes. This result contrasts with the weaker waveguiding signature in the case of UV210-based nanotubes embedding PFO (poly(9,9-di-n-octylfluorenyl-2,7-diyl)). It is attributed to the strong reabsorption phenomenon, owing to overlapping between absorption and emission bands in the semi-conducting conjugated polymer PFO. These results make this Mo6@SU8 original class of nanocomposite a promising candidate as nanosources for submicronic photonic integration.

Binaries at Birth: Stellar multiplicity in embedded clusters from radial velocity variations in the IN-SYNC survey

NASA Astrophysics Data System (ADS)

Oskar Jaehnig, Karl; Stassun, Keivan; Tan, Jonathan C.; Covey, Kevin R.; Da Rio, Nicola

2016-01-01

We study the nature of stellar multiplicity in young stellar systems using the INfrared Spectroscopy of Young Nebulous Clusters (IN-SYNC) survey, carried out in SDSS III with the APOGEE spectrograph. Multi-epoch observations of thousands of low-mass stars in Orion A, NGC2264, NGC1333 and IC348 have been carried out, yielding H-band spectra with R=22,500 for sources with H<12 mag. Radial velocity sensitivities ~0.3 km/s can be achieved, depending on the spectral type of the star. We search the IN-SYNC radial velocity catalog to identify sources with radial velocity variations indicative of spectroscopically undetected companions, analyze their spectral properties and discuss the implications for the overall multiplicity of stellar populations in young, embedded star clusters.

Fragmentation dynamics of ionized neon clusters (Ne(n), n=3-14) embedded in helium nanodroplets.

PubMed

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.

Hydrogen-vacancy-dislocation interactions in α-Fe

NASA Astrophysics Data System (ADS)

Tehranchi, A.; Zhang, X.; Lu, G.; Curtin, W. A.

2017-02-01

Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum-mechanics/molecular-mechanics method calculations confirm molecular statics simulations based on embedded atom method (EAM) potential showing that individual vacancies on the compressive side of an edge dislocation can be transported with the dislocation as it glides. Molecular dynamics simulations based on EAM potential then show, however, that vacancy clusters in the glide plane of an approaching dislocation are annihilated or reduced in size by the creation of a double-jog/climb process that is driven by the huge reduction in energy accompanying vacancy annihilation. The effectiveness of annihilation/reduction processes is not reduced by the presence of hydrogen in the vacancy clusters because typical V-H cluster binding energies are much lower than the vacancy formation energy, except at very high hydrogen content in the cluster. Analysis of a range of configurations indicates that hydrogen plays no special role in stabilizing nanovoids against jog formation processes that shrink voids. Experimental observations of nanovoids on the fracture surfaces of steels must be due to as-yet undetermined processes.

A volumetric conformal mapping approach for clustering white matter fibers in the brain

PubMed Central

Gupta, Vikash; Prasad, Gautam; Thompson, Paul

2017-01-01

The human brain may be considered as a genus-0 shape, topologically equivalent to a sphere. Various methods have been used in the past to transform the brain surface to that of a sphere using harmonic energy minimization methods used for cortical surface matching. However, very few methods have studied volumetric parameterization of the brain using a spherical embedding. Volumetric parameterization is typically used for complicated geometric problems like shape matching, morphing and isogeometric analysis. Using conformal mapping techniques, we can establish a bijective mapping between the brain and the topologically equivalent sphere. Our hypothesis is that shape analysis problems are simplified when the shape is defined in an intrinsic coordinate system. Our goal is to establish such a coordinate system for the brain. The efficacy of the method is demonstrated with a white matter clustering problem. Initial results show promise for future investigation in these parameterization technique and its application to other problems related to computational anatomy like registration and segmentation. PMID:29177252

Many-body expansion of the Fock matrix in the fragment molecular orbital method

NASA Astrophysics Data System (ADS)

Fedorov, Dmitri G.; Kitaura, Kazuo

2017-09-01

A many-body expansion of the Fock matrix in the fragment molecular orbital method is derived up to three-body terms for restricted Hartree-Fock and density functional theory in the atomic orbital basis and compared to the expansion in the basis of fragment molecular orbitals (MOs). The physical nature of many-body corrections is revealed in terms of charge transfer terms. An improvement of the fragment MO expansion is proposed by adding exchange to the embedding. The accuracy of all developed methods is demonstrated in comparison to unfragmented results for polyalanines, a water cluster, Trp-cage (PDB: 1L2Y) and crambin (PDB: 1CRN) proteins, a zeolite cluster, a Si nano-wire, and a boron nitride ribbon. The physical nature of metallicity is discussed, and it is shown what kinds of metallic systems can be treated by fragment-based methods. The density of states is calculated for a fully closed and a partially open nano-ring of boron nitride with a diameter of 105 nm.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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 that can include a filamentary structure in addition to gas surrounding the stellar sub-clusters. 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 protostar 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.

A consensus embedding approach for segmentation of high resolution in vivo prostate magnetic resonance imagery

NASA Astrophysics Data System (ADS)

Viswanath, Satish; Rosen, Mark; Madabhushi, Anant

2008-03-01

Current techniques for localization of prostatic adenocarcinoma (CaP) via blinded trans-rectal ultrasound biopsy are associated with a high false negative detection rate. While high resolution endorectal in vivo Magnetic Resonance (MR) prostate imaging has been shown to have improved contrast and resolution for CaP detection over ultrasound, similarity in intensity characteristics between benign and cancerous regions on MR images contribute to a high false positive detection rate. In this paper, we present a novel unsupervised segmentation method that employs manifold learning via consensus schemes for detection of cancerous regions from high resolution 1.5 Tesla (T) endorectal in vivo prostate MRI. A significant contribution of this paper is a method to combine multiple weak, lower-dimensional representations of high dimensional feature data in a way analogous to classifier ensemble schemes, and hence create a stable and accurate reduced dimensional representation. After correcting for MR image intensity artifacts, such as bias field inhomogeneity and intensity non-standardness, our algorithm extracts over 350 3D texture features at every spatial location in the MR scene at multiple scales and orientations. Non-linear dimensionality reduction schemes such as Locally Linear Embedding (LLE) and Graph Embedding (GE) are employed to create multiple low dimensional data representations of this high dimensional texture feature space. Our novel consensus embedding method is used to average object adjacencies from within the multiple low dimensional projections so that class relationships are preserved. Unsupervised consensus clustering is then used to partition the objects in this consensus embedding space into distinct classes. Quantitative evaluation on 18 1.5 T prostate MR data against corresponding histology obtained from the multi-site ACRIN trials show a sensitivity of 92.65% and a specificity of 82.06%, which suggests that our method is successfully able to detect suspicious regions in the prostate.

An Introverted Starburst: Gas and SSC Formation in NGC 5253

NASA Astrophysics Data System (ADS)

Turner, J. L.; Beck, S. C.

2004-06-01

High resolution Brackett line spectroscopy with the Keck Telescope reveals relatively narrow recombination lines toward the embedded young super star cluster nebula in NGC 5253. The gas within this nebula is almost certainly gravitationally bound by the massive and compact young star cluster.

Information diffusion, Facebook clusters, and the simplicial model of social aggregation: a computational simulation of simplicial diffusers for community health interventions.

PubMed

Kee, Kerk F; Sparks, Lisa; Struppa, Daniele C; Mannucci, Mirco A; Damiano, Alberto

2016-01-01

By integrating the simplicial model of social aggregation with existing research on opinion leadership and diffusion networks, this article introduces the constructs of simplicial diffusers (mathematically defined as nodes embedded in simplexes; a simplex is a socially bonded cluster) and simplicial diffusing sets (mathematically defined as minimal covers of a simplicial complex; a simplicial complex is a social aggregation in which socially bonded clusters are embedded) to propose a strategic approach for information diffusion of cancer screenings as a health intervention on Facebook for community cancer prevention and control. This approach is novel in its incorporation of interpersonally bonded clusters, culturally distinct subgroups, and different united social entities that coexist within a larger community into a computational simulation to select sets of simplicial diffusers with the highest degree of information diffusion for health intervention dissemination. The unique contributions of the article also include seven propositions and five algorithmic steps for computationally modeling the simplicial model with Facebook data.

Electron interaction with nitromethane embedded in helium droplets: attachment and ionization measurements.

PubMed

Ferreira da Silva, F; Ptasińska, S; Denifl, S; Gschliesser, D; Postler, J; Matias, C; Märk, T D; Limão-Vieira, P; Scheier, P

2011-11-07

Results of a detailed study on electron interactions with nitromethane (CH(3)NO(2)) embedded in helium nanodroplets are reported. Anionic and cationic products formed are analysed by mass spectrometry. When the doped helium droplets are irradiated with low-energy electrons of about 2 eV kinetic energy, exclusively parent cluster anions (CH(3)NO(2))(n)(-) are formed. At 8.5 eV, three anion cluster series are observed, i.e., (CH(3)NO(2))(n)(-), [(CH(3)NO(2))(n)-H](-), and (CH(3)NO(2))(n)NO(2)(-), the latter being the most abundant. The results obtained for anions are compared with previous electron attachment studies with bare nitromethane and nitromethane condensed on a surface. The cation chemistry (induced by electron ionization of the helium matrix at 70 eV and subsequent charge transfer from He(+) to the dopant cluster) is dominated by production of methylated and protonated nitromethane clusters, (CH(3)NO(2))(n)CH(3)(+) and (CH(3)NO(2))(n)H(+).

Potential of transition metal atoms embedded in buckled monolayer g-C3N4 as single-atom catalysts.

PubMed

Li, Shu-Long; Yin, Hui; Kan, Xiang; Gan, Li-Yong; Schwingenschlögl, Udo; Zhao, Yong

2017-11-15

We use first-principles calculations to systematically explore the potential of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) embedded in buckled monolayer g-C 3 N 4 as single-atom catalysts. We show that clustering of Sc and Ti on g-C 3 N 4 is thermodynamically impeded and that V, Cr, Mn, and Cu are much less susceptible to clustering than the other TM atoms under investigation. Strong bonding of the transition metal atoms in the cavities of g-C 3 N 4 and high diffusion barriers together are responsible for single-atom fixation. Analysis of the CO oxidation process indicates that embedding of Cr and Mn in g-C 3 N 4 gives rise to promising single-atom catalysts at low temperature.

Improved Cluster Method Applied to the InSAR data of the 2007 Piton de la Fournaise eruption

NASA Astrophysics Data System (ADS)

Cayol, V.; Augier, A.; Froger, J. L.; Menassian, S.

2016-12-01

Interpretation of surface displacement induced by reservoirs, whether magmatic, hydrothermal or gaseous, can be done at reduced numerical cost and with little a priori knowledge using cluster methods, where reservoirs are represented by point sources embedded in an elastic half-space. Most of the time, the solution representing the best trade-off between the data fit and the model smoothness (L-curve criterion) is chosen. This study relies on synthetic tests to improve cluster methods in several ways. Firstly, to solve problems involving steep topographies, we construct unit sources numerically. Secondly, we show that the L-curve criterion leads to several plausible solutions where the most realistic are not necessarily the best fitting. We determine that the cross-validation method, with data geographically grouped, is a more reliable way to determine the solution. Thirdly, we propose a new method, based on source ranking according to their contribution and minimization of the Akaike information criteria, to retrieve reservoirs' geometry more accurately and to better reflect information contained in the data. We show that the solution is robust in the presence of correlated noise and that reservoir complexity that can be retrieved decreases with increasing noise. We also show that it is inappropriate to use cluster methods for pressurized fractures. Finally, the method is applied to the summit deflation recorded by InSAR after the caldera collapse which occurred at Piton de la Fournaise in April 2007. Comparison with other data indicate that the deflation is probably related to poro-elastic compaction and fluid flow subsequent to the crater collapse.

Direct synthesis of antimicrobial coatings based on tailored bi-elemental nanoparticles

NASA Astrophysics Data System (ADS)

Benetti, Giulio; Cavaliere, Emanuele; Canteri, Adalberto; Landini, Giulia; Rossolini, Gian Maria; Pallecchi, Lucia; Chiodi, Mirco; Van Bael, Margriet J.; Winckelmans, Naomi; Bals, Sara; Gavioli, Luca

2017-03-01

Ultrathin coatings based on bi-elemental nanoparticles (NPs) are very promising to limit the surface-related spread of bacterial pathogens, particularly in nosocomial environments. However, tailoring the synthesis, composition, adhesion to substrate, and antimicrobial spectrum of the coating is an open challenge. Herein, we report on a radically new nanostructured coating, obtained by a one-step gas-phase deposition technique, and composed of bi-elemental Janus type Ag/Ti NPs. The NPs are characterized by a cluster-in-cluster mixing phase with metallic Ag nano-crystals embedded in amorphous TiO2 and present a promising antimicrobial activity including also multidrug resistant strains. We demonstrate the flexibility of the method to tune the embedded Ag nano-crystals dimension, the total relative composition of the coating, and the substrate type, opening the possibility of tailoring the dimension, composition, antimicrobial spectrum, and other physical/chemical properties of such multi-elemental systems. This work is expected to significantly spread the range of applications of NPs coatings, not only as an effective tool in the prevention of healthcare-associated infections but also in other technologically relevant fields like sensors or nano-/micro joining.

Unsupervised Structure Detection in Biomedical Data.

PubMed

Vogt, Julia E

2015-01-01

A major challenge in computational biology is to find simple representations of high-dimensional data that best reveal the underlying structure. In this work, we present an intuitive and easy-to-implement method based on ranked neighborhood comparisons that detects structure in unsupervised data. The method is based on ordering objects in terms of similarity and on the mutual overlap of nearest neighbors. This basic framework was originally introduced in the field of social network analysis to detect actor communities. We demonstrate that the same ideas can successfully be applied to biomedical data sets in order to reveal complex underlying structure. The algorithm is very efficient and works on distance data directly without requiring a vectorial embedding of data. Comprehensive experiments demonstrate the validity of this approach. Comparisons with state-of-the-art clustering methods show that the presented method outperforms hierarchical methods as well as density based clustering methods and model-based clustering. A further advantage of the method is that it simultaneously provides a visualization of the data. Especially in biomedical applications, the visualization of data can be used as a first pre-processing step when analyzing real world data sets to get an intuition of the underlying data structure. We apply this model to synthetic data as well as to various biomedical data sets which demonstrate the high quality and usefulness of the inferred structure.

CLUSTER DYNAMICS LARGELY SHAPES PROTOPLANETARY DISK SIZES

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

Vincke, Kirsten; Pfalzner, Susanne, E-mail: kvincke@mpifr-bonn.mpg.de

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 diskmore » 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.« less

Joint spatial-spectral hyperspectral image clustering using block-diagonal amplified affinity matrix

NASA Astrophysics Data System (ADS)

Fan, Lei; Messinger, David W.

2018-03-01

The large number of spectral channels in a hyperspectral image (HSI) produces a fine spectral resolution to differentiate between materials in a scene. However, difficult classes that have similar spectral signatures are often confused while merely exploiting information in the spectral domain. Therefore, in addition to spectral characteristics, the spatial relationships inherent in HSIs should also be considered for incorporation into classifiers. The growing availability of high spectral and spatial resolution of remote sensors provides rich information for image clustering. Besides the discriminating power in the rich spectrum, contextual information can be extracted from the spatial domain, such as the size and the shape of the structure to which one pixel belongs. In recent years, spectral clustering has gained popularity compared to other clustering methods due to the difficulty of accurate statistical modeling of data in high dimensional space. The joint spatial-spectral information could be effectively incorporated into the proximity graph for spectral clustering approach, which provides a better data representation by discovering the inherent lower dimensionality from the input space. We embedded both spectral and spatial information into our proposed local density adaptive affinity matrix, which is able to handle multiscale data by automatically selecting the scale of analysis for every pixel according to its neighborhood of the correlated pixels. Furthermore, we explored the "conductivity method," which aims at amplifying the block diagonal structure of the affinity matrix to further improve the performance of spectral clustering on HSI datasets.

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

PubMed

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.

Multiferroic and magnetoelectric nanocomposites for data processing

NASA Astrophysics Data System (ADS)

Kleemann, Wolfgang

2017-06-01

Recent progress in preparing and understanding composite magnetoelectrics is highlighted. Apart from optimized standard solutions novel methods of switching magnetism with electric fields and vice versa with focus on magnetoelectric (ME) data processing in multiferroic and magnetoelectric nanocomposites deserve particular interest. First, we report on the patented MERAM, which uses the electric field control of exchange bias in a layered composite via an epitaxial magnetoelectric Cr2O3 layer exchange coupled to a Pt/Co/Pt trilayer. It promises to crucially reduce Joule energy losses in RAM devices. Second, magnetic switching of the electric polarization by a transverse magnetic field in a composite of CoFe2O4 nanopillars embedded in a vertically poled BaTiO3 thick film produces a regular surface polarization pattern with rectangular local symmetry. Its possible use for data processing is discussed. Third, in the relaxor ferroelectric single-phase compound (BiFe0.9Co0.1O3)0.4-(Bi1/2K1/2TiO3)0.6 polar nanoregions emerging from ferrimagnetic Bi(Fe,Co)O3 regions embedded in a Bi1/2K1/2TiO3 relaxor component transform into ferroelectric clusters and simultaneously enable congruent magnetic clusters. The local polarization and magnetization couple with record-high direct and converse magnetoelectric coupling coefficients, α  ≈  1.0  ×  10-5 s m-1. These ‘multiferroic’ clusters are promising for applications in data storage or processing devices.

A YOUNG ECLIPSING BINARY AND ITS LUMINOUS NEIGHBORS IN THE EMBEDDED STAR CLUSTER Sh 2-252E

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

Lester, Kathryn V.; Gies, Douglas R.; Guo, Zhao, E-mail: lester@chara.gsu.edu, E-mail: gies@chara.gsu.edu, E-mail: guo@chara.gsu.edu

We present a photometric and light curve analysis of an eccentric eclipsing binary in the K2 Campaign 0 field, which resides in Sh 2-252E, a young star cluster embedded in an H ii region. We describe a spectroscopic investigation of the three brightest stars in the crowded aperture to identify which is the binary system. We find that none of these stars are components of the eclipsing binary system, which must be one of the fainter nearby stars. These bright cluster members all have remarkable spectra: Sh 2-252a (EPIC 202062176) is a B0.5 V star with razor sharp absorption lines, Sh 2-252b is amore » Herbig A0 star with disk-like emission lines, and Sh 2-252c is a pre-main-sequence star with very red color.« less

Luminescence properties of femtosecond-laser-activated silver oxide nanoparticles embedded in a biopolymer matrix

NASA Astrophysics Data System (ADS)

Gleitsmann, T.; Bernhardt, T. M.; Wöste, L.

2006-01-01

Strong visible luminescence is observed from silver clusters generated by femtosecond-laser-induced reduction of silver oxide nanoparticles embedded in a polymeric gelatin matrix. Light emission from the femtosecond-laser-activated matrix areas considerably exceeds the luminescence intensity of similarly activated bare silver oxide nanoparticle films. Optical spectroscopy of the activated polymer films supports the assignment of the emissive properties to the formation of small silver clusters under focused femtosecond-laser irradiation. The size of the photogenerated clusters is found to sensitively depend on the laser exposure time, eventually leading to the formation of areas of metallic silver in the biopolymer matrix. In this case, luminescence can still be observed in the periphery of the metallic silver structures, emphasizing the importance of the organic matrix for the stabilization of the luminescent nanocluster structures at the metal matrix interface.

Real Time Intelligent Target Detection and Analysis with Machine Vision

NASA Technical Reports Server (NTRS)

Howard, Ayanna; Padgett, Curtis; Brown, Kenneth

2000-01-01

We present an algorithm for detecting a specified set of targets for an Automatic Target Recognition (ATR) application. ATR involves processing images for detecting, classifying, and tracking targets embedded in a background scene. We address the problem of discriminating between targets and nontarget objects in a scene by evaluating 40x40 image blocks belonging to an image. Each image block is first projected onto a set of templates specifically designed to separate images of targets embedded in a typical background scene from those background images without targets. These filters are found using directed principal component analysis which maximally separates the two groups. The projected images are then clustered into one of n classes based on a minimum distance to a set of n cluster prototypes. These cluster prototypes have previously been identified using a modified clustering algorithm based on prior sensed data. Each projected image pattern is then fed into the associated cluster's trained neural network for classification. A detailed description of our algorithm will be given in this paper. We outline our methodology for designing the templates, describe our modified clustering algorithm, and provide details on the neural network classifiers. Evaluation of the overall algorithm demonstrates that our detection rates approach 96% with a false positive rate of less than 0.03%.

Weaknesses in Lexical-Semantic Knowledge Among College Students With Specific Learning Disabilities: Evidence From a Semantic Fluency Task.

PubMed

Hall, Jessica; McGregor, Karla K; Oleson, Jacob

2017-03-01

The purpose of this study is to determine whether deficits in executive function and lexical-semantic memory compromise the linguistic performance of young adults with specific learning disabilities (LD) enrolled in postsecondary studies. One hundred eighty-five students with LD (n = 53) or normal language development (ND, n = 132) named items in the categories animals and food for 1 minute for each category and completed tests of lexical-semantic knowledge and executive control of memory. Groups were compared on total names, mean cluster size, frequency of embedded clusters, frequency of cluster switches, and change in fluency over time. Secondary analyses of variability within the LD group were also conducted. The LD group was less fluent than the ND group. Within the LD group, lexical-semantic knowledge predicted semantic fluency and cluster size; executive control of memory predicted semantic fluency and cluster switches. The LD group produced smaller clusters and fewer embedded clusters than the ND group. Groups did not differ in switching or change over time. Deficits in the lexical-semantic system associated with LD may persist into young adulthood, even among those who have managed their disability well enough to attend college. Lexical-semantic deficits are associated with compromised semantic fluency, and the two problems are more likely among students with more severe disabilities.

Dark energy and the structure of the Coma cluster of galaxies

NASA Astrophysics Data System (ADS)

Chernin, A. D.; Bisnovatyi-Kogan, G. S.; Teerikorpi, P.; Valtonen, M. J.; Byrd, G. G.; Merafina, M.

2013-05-01

Context. We consider the Coma cluster of galaxies as a gravitationally bound physical system embedded in the perfectly uniform static dark energy background as implied by ΛCDM cosmology. Aims: We ask if the density of dark energy is high enough to affect the structure of a large and rich cluster of galaxies. Methods: We base our work on recent observational data on the Coma cluster, and apply our theory of local dynamical effects of dark energy, including the zero-gravity radius RZG of the local force field as the key parameter. Results: 1) Three masses are defined that characterize the structure of a regular cluster: the matter mass MM, the dark-energy effective mass MDE (<0), and the gravitating mass MG (=MM + MDE). 2) A new matter-density profile is suggested that reproduces the observational data well for the Coma cluster in the radius range from 1.4 Mpc to 14 Mpc and takes the dark energy background into account. 3) Using this profile, we calculate upper limits for the total size of the Coma cluster, R ≤ RZG ≈ 20 Mpc, and its total matter mass, MM ≲ MM(RZG) = 6.2 × 1015 M⊙. Conclusions: The dark energy antigravity affects the structure of the Coma cluster strongly at large radii R ≳ 14 Mpc and should be considered when its total mass is derived.

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

NASA Astrophysics Data System (ADS)

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 ejections of massive stars in the currently forming population is also discussed.

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

NASA Technical Reports Server (NTRS)

Paik, Sun M.; Yoo, Sung M.; Namkung, Min; Wincheski, Russell A.; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

The Limited Role of Number of Nested Syntactic Dependencies in Accounting for Processing Cost: Evidence from German Simplex and Complex Verbal Clusters

PubMed Central

Bader, Markus

2018-01-01

This paper presents three acceptability experiments investigating German verb-final clauses in order to explore possible sources of sentence complexity during human parsing. The point of departure was De Vries et al.'s (2011) generalization that sentences with three or more crossed or nested dependencies are too complex for being processed by the human parsing mechanism without difficulties. This generalization is partially based on findings from Bach et al. (1986) concerning the acceptability of complex verb clusters in German and Dutch. The first experiment tests this generalization by comparing two sentence types: (i) sentences with three nested dependencies within a single clause that contains three verbs in a complex verb cluster; (ii) sentences with four nested dependencies distributed across two embedded clauses, one center-embedded within the other, each containing a two-verb cluster. The results show that sentences with four nested dependencies are judged as acceptable as control sentences with only two nested dependencies, whereas sentences with three nested dependencies are judged as only marginally acceptable. This argues against De Vries et al.'s (2011) claim that the human parser can process no more than two nested dependencies. The results are used to refine the Verb-Cluster Complexity Hypothesis of Bader and Schmid (2009a). The second and the third experiment investigate sentences with four nested dependencies in more detail in order to explore alternative sources of sentence complexity: the number of predicted heads to be held in working memory (storage cost in terms of the Dependency Locality Theory [DLT], Gibson, 2000) and the length of the involved dependencies (integration cost in terms of the DLT). Experiment 2 investigates sentences for which storage cost and integration cost make conflicting predictions. The results show that storage cost outweighs integration cost. Experiment 3 shows that increasing integration cost in sentences with two degrees of center embedding leads to decreased acceptability. Taken together, the results argue in favor of a multifactorial account of the limitations on center embedding in natural languages. PMID:29410633

The Limited Role of Number of Nested Syntactic Dependencies in Accounting for Processing Cost: Evidence from German Simplex and Complex Verbal Clusters.

PubMed

Bader, Markus

2017-01-01

This paper presents three acceptability experiments investigating German verb-final clauses in order to explore possible sources of sentence complexity during human parsing. The point of departure was De Vries et al.'s (2011) generalization that sentences with three or more crossed or nested dependencies are too complex for being processed by the human parsing mechanism without difficulties. This generalization is partially based on findings from Bach et al. (1986) concerning the acceptability of complex verb clusters in German and Dutch. The first experiment tests this generalization by comparing two sentence types: (i) sentences with three nested dependencies within a single clause that contains three verbs in a complex verb cluster; (ii) sentences with four nested dependencies distributed across two embedded clauses, one center-embedded within the other, each containing a two-verb cluster. The results show that sentences with four nested dependencies are judged as acceptable as control sentences with only two nested dependencies, whereas sentences with three nested dependencies are judged as only marginally acceptable. This argues against De Vries et al.'s (2011) claim that the human parser can process no more than two nested dependencies. The results are used to refine the Verb-Cluster Complexity Hypothesis of Bader and Schmid (2009a). The second and the third experiment investigate sentences with four nested dependencies in more detail in order to explore alternative sources of sentence complexity: the number of predicted heads to be held in working memory (storage cost in terms of the Dependency Locality Theory [DLT], Gibson, 2000) and the length of the involved dependencies (integration cost in terms of the DLT). Experiment 2 investigates sentences for which storage cost and integration cost make conflicting predictions. The results show that storage cost outweighs integration cost. Experiment 3 shows that increasing integration cost in sentences with two degrees of center embedding leads to decreased acceptability. Taken together, the results argue in favor of a multifactorial account of the limitations on center embedding in natural languages.

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

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

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlapmore » matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.« less

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.

PubMed

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas; Neugebauer, Johannes

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Ångstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

Joint kinematics estimation using a multi-body kinematics optimisation and an extended Kalman filter, and embedding a soft tissue artefact model.

PubMed

Bonnet, Vincent; Richard, Vincent; Camomilla, Valentina; Venture, Gentiane; Cappozzo, Aurelio; Dumas, Raphaël

2017-09-06

To reduce the impact of the soft tissue artefact (STA) on the estimate of skeletal movement using stereophotogrammetric and skin-marker data, multi-body kinematics optimisation (MKO) and extended Kalman filters (EKF) have been proposed. This paper assessed the feasibility and efficiency of these methods when they embed a mathematical model of the STA and simultaneously estimate the ankle, knee and hip joint kinematics and the model parameters. A STA model was used that provides an estimate of the STA affecting the marker-cluster located on a body segment as a function of the kinematics of the adjacent joints. The MKO and the EKF were implemented with and without the STA model. To assess these methods, intra-cortical pin and skin markers located on the thigh, shank, and foot of three subjects and tracked during the stance phase of running were used. Embedding the STA model in MKO and EKF reduced the average RMS of marker tracking from 12.6 to 1.6mm and from 4.3 to 1.9mm, respectively, showing that a STA model trial-specific calibration is feasible. Nevertheless, with the STA model embedded in MKO, the RMS difference between the estimated and the reference joint kinematics determined from the pin markers slightly increased (from 2.0 to 2.1deg) On the contrary, when the STA model was embedded in the EKF, this RMS difference was slightly reduced (from 2.0 to 1.7deg) thus showing a better potentiality of this method to attenuate STA effects and improve the accuracy of joint kinematics estimate. Copyright © 2017 Elsevier Ltd. All rights reserved.

Diverse power iteration embeddings: Theory and practice

DOE PAGES

Huang, Hao; Yoo, Shinjae; Yu, Dantong; ...

2015-11-09

Manifold learning, especially spectral embedding, is known as one of the most effective learning approaches on high dimensional data, but for real-world applications it raises a serious computational burden in constructing spectral embeddings for large datasets. To overcome this computational complexity, we propose a novel efficient embedding construction, Diverse Power Iteration Embedding (DPIE). DPIE shows almost the same effectiveness of spectral embeddings and yet is three order of magnitude faster than spectral embeddings computed from eigen-decomposition. Our DPIE is unique in that (1) it finds linearly independent embeddings and thus shows diverse aspects of dataset; (2) the proposed regularized DPIEmore » is effective if we need many embeddings; (3) we show how to efficiently orthogonalize DPIE if one needs; and (4) Diverse Power Iteration Value (DPIV) provides the importance of each DPIE like an eigen value. As a result, such various aspects of DPIE and DPIV ensure that our algorithm is easy to apply to various applications, and we also show the effectiveness and efficiency of DPIE on clustering, anomaly detection, and feature selection as our case studies.« less

IRAS Colors of the Pleiades

NASA Technical Reports Server (NTRS)

Carey, Sean J.; Shipman, R. F.; Clark, F. O.

1996-01-01

We present large scale images of the infrared emission of the region around the Pleiades using the ISSA data product from the IRAS mission. Residual Zodiacal background and a discontinuity in the image due to the scanning strategy of the satellite necessitated special background subtraction methods. The 60/100 color image clearly shows the heating of the ambient interstellar medium by the cluster. The 12/100 and 25/100 images peak on the cluster as expected for exposure of small dust grains to an enhanced UV radiation field; however, the 25/100 color declines to below the average interstellar value at the periphery of the cluster. Potential causes of the color deficit are discussed. A new method of identifying dense molecular material through infrared emission properties is presented. The difference between the 100 micron flux density and the 60 micron flux density scaled by the average interstellar 60/100 color ratio (Delta I(sub 100) is a sensitive diagnostic of material with embedded heating sources (Delta I(sub 100) less than 0) and cold, dense cores (Delta I(sub 100) greater than 0). The dense cores of the Taurus cloud complex as well as Lynds 1457 are clearly identified by this method, while the IR bright but diffuse Pleiades molecular cloud is virtually indistinguishable from the nearby infrared cirrus.

Sampling methods for stellar masses and the mmax-Mecl relation in the starburst dwarf galaxy NGC 4214

NASA Astrophysics Data System (ADS)

Weidner, Carsten; Kroupa, Pavel; Pflamm-Altenburg, Jan

2014-07-01

It has been claimed in the recent literature that a non-trivial relation between the mass of the most-massive star, mmax, in a star cluster and its embedded star cluster mass (the mmax - Mecl relation) is falsified by observations of the most-massive stars and the Hα luminosity of young star clusters in the starburst dwarf galaxy NGC 4214. Here, it is shown by comparing the NGC 4214 results with observations from the Milky Way that NGC 4214 agrees very well with the predictions of the mmax - Mecl relation and with the integrated galactic stellar initial mass function theory. The difference in conclusions is based on a high degree of degeneracy between expectations from random sampling and those from the mmax - Mecl relation, but are also due to interpreting mmax as a truncation mass in a randomly sampled initial mass function. Additional analysis of galaxies with lower SFRs than those currently presented in the literature will be required to break this degeneracy.

A Systematic Approach for Determining Vertical Pile Depth of Embedment in Cohensionless Soils to Withstand Lateral Barge Train Impact Loads

DTIC Science & Technology

2017-01-30

dynamic structural time- history response analysis of flexible approach walls founded on clustered pile groups using Impact_Deck. In Preparation, ERDC...research (Ebeling et al. 2012) has developed simplified analysis procedures for flexible approach wall systems founded on clustered groups of vertical...history response analysis of flexible approach walls founded on clustered pile groups using Impact_Deck. In Preparation, ERDC/ITL TR-16-X. Vicksburg, MS

Image method for electrostatic energy of polarizable dipolar spheres

NASA Astrophysics Data System (ADS)

Gustafson, Kyle S.; Xu, Guoxi; Freed, Karl F.; Qin, Jian

2017-08-01

The multiple-scattering theory for the electrostatics of many-body systems of monopolar spherical particles, embedded in a dielectric medium, is generalized to describe the electrostatics of these particles with embedded dipoles and multipoles. The Neumann image line construction for the electrostatic polarization produced by one particle is generalized to compute the energy, forces, and torques for the many-body system as functions of the positions of the particles. The approach is validated by comparison with direct numerical calculation, and the convergence rate is analyzed and expressed in terms of the discontinuity in dielectric contrast and particle density. As an illustration of this formalism, the stability of small particle clusters is analyzed. The theory is developed in a form that can readily be adapted to Monte Carlo and molecular dynamics simulations for polarizable particles and, more generally, to study the interactions among polarizable molecules.

Characterization of Omega-WINGS galaxy clusters. I. Stellar light and mass profiles

NASA Astrophysics Data System (ADS)

Cariddi, S.; D'Onofrio, M.; Fasano, G.; Poggianti, B. M.; Moretti, A.; Gullieuszik, M.; Bettoni, D.; Sciarratta, M.

2018-02-01

Context. Galaxy clusters are the largest virialized structures in the observable Universe. Knowledge of their properties provides many useful astrophysical and cosmological information. Aims: Our aim is to derive the luminosity and stellar mass profiles of the nearby galaxy clusters of the Omega-WINGS survey and to study the main scaling relations valid for such systems. Methods: We merged data from the WINGS and Omega-WINGS databases, sorted the sources according to the distance from the brightest cluster galaxy (BCG), and calculated the integrated luminosity profiles in the B and V bands, taking into account extinction, photometric and spatial completeness, K correction, and background contribution. Then, by exploiting the spectroscopic sample we derived the stellar mass profiles of the clusters. Results: We obtained the luminosity profiles of 46 galaxy clusters, reaching r200 in 30 cases, and the stellar mass profiles of 42 of our objects. We successfully fitted all the integrated luminosity growth profiles with one or two embedded Sérsic components, deriving the main clusters parameters. Finally, we checked the main scaling relation among the clusters parameters in comparison with those obtained for a selected sample of early-type galaxies (ETGs) of the same clusters. Conclusions: We found that the nearby galaxy clusters are non-homologous structures such as ETGs and exhibit a color-magnitude (CM) red-sequence relation very similar to that observed for galaxies in clusters. These properties are not expected in the current cluster formation scenarios. In particular the existence of a CM relation for clusters, shown here for the first time, suggests that the baryonic structures grow and evolve in a similar way at all scales.

Dust and gas environment of the young embedded cluster IRAS 18511+0146

NASA Astrophysics Data System (ADS)

Vig, S.; Testi, L.; Walmsley, C. M.; Cesaroni, R.; Molinari, S.

2017-03-01

Context. Since massive and intermediate mass stars form in clusters, a comparative investigation of the environments of the young embedded cluster members can reveal significant information about the conditions under which stars form and evolve. Aims: IRAS 18511+0146 is a young embedded (proto)cluster located at 3.5 kpc surrounding what appears to be an intermediate mass protostar. Here, we investigate the nature of cluster members (two of which are believed to be the most massive and luminous) using imaging and spectroscopy in the near and mid-infrared. In particular, we examine the three brightest mid-infrared objects, two of which are believed to be the most massive ones driving the luminosity of this region. Methods: Near-infrared spectroscopy of nine objects (bright in K-bands) towards IRAS 18511+0146 has been carried out. Several cluster members have also been investigated in the mid-infrared using spectroscopic and imaging with VISIR on the VLT. Far-infrared images from the Herschel Hi-GAL survey have been used to construct the column density and temperature maps of the region. Results: The brightest point-like object associated with IRAS 18511+0146 is referred to as S7 in the present work (designated UGPS J185337.88+015030.5 in the UKIRT Galactic Plane survey). S7 is likely the most luminous object in the cluster as it is bright at all wavelengths ranging from the near-infrared to millimetre. Seven of the nine objects show rising spectral energy distributions in the near-infrared, with four objects showing Br-γ emission. Three members: S7, S10 (also UGPS J185338.37+015015.3) and S11 (also UGPS J185338.72+015013.5) are bright in mid-infrared with diffuse emission being detected in the vicinity of S11 in PAH bands. Silicate absorption is detected towards these three objects, with an absorption maximum between 9.6 and 9.7 μm, large optical depths (1.8-3.2), and profile widths of 1.6-2.1μm. The silicate profiles of S7 and S10 are similar, in contrast to S11 (which has the largest width and optical depth). The cold dust emission peaks at S7, with temperature at 26 K and column density N(H2) 7 × 1022 cm-2. The bolometric luminosity of IRAS 18511 region is L 1.8 × 104L⊙. S7 is the main contributor to the bolometric luminosity, with L (S7) ≳104L⊙. Conclusions: S7 is a high-mass protostellar object with ionised stellar winds, evident from the correlation between radio and bolometric luminosity, as well as the asymmetric Br-γ profile. The differences in silicate profiles of S7 and S11 could be due to different radiation environments as we believe the former to be more massive and in an earlier phase than the latter.

YSOVAR: MID-INFRARED VARIABILITY OF YOUNG STELLAR OBJECTS AND THEIR DISKS IN THE CLUSTER IRAS 20050+2720

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

Poppenhaeger, K.; Wolk, S. J.; Hora, J. L.

2015-10-15

We present a time-variability study of young stellar objects (YSOs) in the cluster IRAS 20050+2720, performed at 3.6 and 4.5 μm with the Spitzer Space Telescope; this study is part of the Young Stellar Object VARiability (YSOVAR) project. We have collected light curves for 181 cluster members over 60 days. We find a high variability fraction among embedded cluster members of ca. 70%, whereas young stars without a detectable disk display variability less often (in ca. 50% of the cases) and with lower amplitudes. We detect periodic variability for 33 sources with periods primarily in the range of 2–6 days.more » Practically all embedded periodic sources display additional variability on top of their periodicity. Furthermore, we analyze the slopes of the tracks that our sources span in the color–magnitude diagram (CMD). We find that sources with long variability time scales tend to display CMD slopes that are at least partially influenced by accretion processes, while sources with short variability timescales tend to display extinction-dominated slopes. We find a tentative trend of X-ray detected cluster members to vary on longer timescales than the X-ray undetected members.« less

The galaxy cluster outskirts probed by Chandra

NASA Astrophysics Data System (ADS)

Morandi, Andrea; Sun, Ming; Forman, William; Jones, Christine

2015-08-01

Exploring the virialization region of galaxy clusters has recently raised the attention of the scientific community, offering a direct view of structure formation. In this talk, I will present recent results on the physical properties of the intracluster medium in the outer volumes of a sample of 320 clusters (0.056 3 keV) in the Chandra archive, with a total integration time of ~20 Ms. We stacked the emission measure profiles of the clusters to detect a signal out to R_{100}. We then measured the average emission measure, gas density and gas fraction, which scale according to the self-similar model of cluster formation. We observe a steepening of the density profiles beyond R_{500} with slope beta ~ 0.68 at R_{500} and beta ~ 1 at R_{200} and beyond. By tracking the direction of the cosmic filaments where the clusters are embedded, we report that galaxy clusters deviate from spherical symmetry. We also did not find evolution of the gas density with redshift, confirming the self-similar evolution of the gas density. The value of the baryon fraction reaches the cosmic value at R_{200}: however, systematics due to non-thermal pressure support and clumpiness might enhance the measured gas fraction, leading to an actual deficit of the baryon budget with respect to the primordial value). This novel method, the stacking the X-ray signal of cluster outskirts, has the capacity to provide a generational leap forward in our understanding of cluster physics and formation, and the use of clusters as cosmological probes.

Novel Signal Noise Reduction Method through Cluster Analysis, Applied to Photoplethysmography.

PubMed

Waugh, William; Allen, John; Wightman, James; Sims, Andrew J; Beale, Thomas A W

2018-01-01

Physiological signals can often become contaminated by noise from a variety of origins. In this paper, an algorithm is described for the reduction of sporadic noise from a continuous periodic signal. The design can be used where a sample of a periodic signal is required, for example, when an average pulse is needed for pulse wave analysis and characterization. The algorithm is based on cluster analysis for selecting similar repetitions or pulses from a periodic single. This method selects individual pulses without noise, returns a clean pulse signal, and terminates when a sufficiently clean and representative signal is received. The algorithm is designed to be sufficiently compact to be implemented on a microcontroller embedded within a medical device. It has been validated through the removal of noise from an exemplar photoplethysmography (PPG) signal, showing increasing benefit as the noise contamination of the signal increases. The algorithm design is generalised to be applicable for a wide range of physiological (physical) signals.

STAR FORMATION ACROSS THE W3 COMPLEX

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

Román-Zúñiga, Carlos G.; Ybarra, Jason E.; Tapia, Mauricio

We present a multi-wavelength analysis of the history of star formation in the W3 complex. Using deep, near-infrared ground-based images combined with images obtained with Spitzer and Chandra observatories, we identified and classified young embedded sources. We identified the principal clusters in the complex and determined their structure and extension. We constructed extinction-limited samples for five principal clusters and constructed K-band luminosity functions that we compare with those of artificial clusters with varying ages. This analysis provided mean ages and possible age spreads for the clusters. We found that IC 1795, the centermost cluster of the complex, still hosts amore » large fraction of young sources with circumstellar disks. This indicates that star formation was active in IC 1795 as recently as 2 Myr ago, simultaneous to the star-forming activity in the flanking embedded clusters, W3-Main and W3(OH). A comparison with carbon monoxide emission maps indicates strong velocity gradients in the gas clumps hosting W3-Main and W3(OH) and shows small receding clumps of gas at IC 1795, suggestive of rapid gas removal (faster than the T Tauri timescale) in the cluster-forming regions. We discuss one possible scenario for the progression of cluster formation in the W3 complex. We propose that early processes of gas collapse in the main structure of the complex could have defined the progression of cluster formation across the complex with relatively small age differences from one group to another. However, triggering effects could act as catalysts for enhanced efficiency of formation at a local level, in agreement with previous studies.« less

Partially supervised speaker clustering.

PubMed

Tang, Hao; Chu, Stephen Mingyu; Hasegawa-Johnson, Mark; Huang, Thomas S

2012-05-01

Content-based multimedia indexing, retrieval, and processing as well as multimedia databases demand the structuring of the media content (image, audio, video, text, etc.), one significant goal being to associate the identity of the content to the individual segments of the signals. In this paper, we specifically address the problem of speaker clustering, the task of assigning every speech utterance in an audio stream to its speaker. We offer a complete treatment to the idea of partially supervised speaker clustering, which refers to the use of our prior knowledge of speakers in general to assist the unsupervised speaker clustering process. By means of an independent training data set, we encode the prior knowledge at the various stages of the speaker clustering pipeline via 1) learning a speaker-discriminative acoustic feature transformation, 2) learning a universal speaker prior model, and 3) learning a discriminative speaker subspace, or equivalently, a speaker-discriminative distance metric. We study the directional scattering property of the Gaussian mixture model (GMM) mean supervector representation of utterances in the high-dimensional space, and advocate exploiting this property by using the cosine distance metric instead of the euclidean distance metric for speaker clustering in the GMM mean supervector space. We propose to perform discriminant analysis based on the cosine distance metric, which leads to a novel distance metric learning algorithm—linear spherical discriminant analysis (LSDA). We show that the proposed LSDA formulation can be systematically solved within the elegant graph embedding general dimensionality reduction framework. Our speaker clustering experiments on the GALE database clearly indicate that 1) our speaker clustering methods based on the GMM mean supervector representation and vector-based distance metrics outperform traditional speaker clustering methods based on the “bag of acoustic features” representation and statistical model-based distance metrics, 2) our advocated use of the cosine distance metric yields consistent increases in the speaker clustering performance as compared to the commonly used euclidean distance metric, 3) our partially supervised speaker clustering concept and strategies significantly improve the speaker clustering performance over the baselines, and 4) our proposed LSDA algorithm further leads to state-of-the-art speaker clustering performance.

ΛGR Centennial: Cosmic Web in Dark Energy Background

NASA Astrophysics Data System (ADS)

Chernin, A. D.

The basic building blocks of the Cosmic Web are groups and clusters of galaxies, super-clusters (pancakes) and filaments embedded in the universal dark energy background. The background produces antigravity, and the antigravity effect is strong in groups, clusters and superclusters. Antigravity is very weak in filaments where matter (dark matter and baryons) produces gravity dominating in the filament internal dynamics. Gravity-antigravity interplay on the large scales is a grandiose phenomenon predicted by ΛGR theory and seen in modern observations of the Cosmic Web.

Development and application of QM/MM methods to study the solvation effects and surfaces

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

Dibya, Pooja Arora

2010-01-01

Quantum mechanical (QM) calculations have the advantage of attaining high-level accuracy, however QM calculations become computationally inefficient as the size of the system grows. Solving complex molecular problems on large systems and ensembles by using quantum mechanics still poses a challenge in terms of the computational cost. Methods that are based on classical mechanics are an inexpensive alternative, but they lack accuracy. A good trade off between accuracy and efficiency is achieved by combining QM methods with molecular mechanics (MM) methods to use the robustness of the QM methods in terms of accuracy and the MM methods to minimize themore » computational cost. Two types of QM combined with MM (QM/MM) methods are the main focus of the present dissertation: the application and development of QM/MM methods for solvation studies and reactions on the Si(100) surface. The solvation studies were performed using a discreet solvation model that is largely based on first principles called the effective fragment potential method (EFP). The main idea of combining the EFP method with quantum mechanics is to accurately treat the solute-solvent and solvent-solvent interactions, such as electrostatic, polarization, dispersion and charge transfer, that are important in correctly calculating solvent effects on systems of interest. A second QM/MM method called SIMOMM (surface integrated molecular orbital molecular mechanics) is a hybrid QM/MM embedded cluster model that mimics the real surface.3 This method was employed to calculate the potential energy surfaces for reactions of atomic O on the Si(100) surface. The hybrid QM/MM method is a computationally inexpensive approach for studying reactions on larger surfaces in a reasonably accurate and efficient manner. This thesis is comprised of four chapters: Chapter 1 describes the general overview and motivation of the dissertation and gives a broad background of the computational methods that have been employed in this work. Chapter 2 illustrates the methodology of the interface of the EFP method with the configuration interaction with single excitations (CIS) method to study solvent effects in excited states. Chapter 3 discusses the study of the adiabatic electron affinity of the hydroxyl radical in aqueous solution and in micro-solvated clusters using a QM/EFP method. Chapter 4 describes the study of etching and diffusion of oxygen atom on a reconstructed Si(100)-2 x 1 surface using a hybrid QM/MM embedded cluster model (SIMOMM). Chapter 4 elucidates the application of the EFP method towards the understanding of the aqueous ionization potential of Na atom. Finally, a general conclusion of this dissertation work and prospective future direction are presented in Chapter 6.« less

Electron correlation contribution to the physisorption of CO on MgF2(110).

PubMed

Hammerschmidt, Lukas; Müller, Carsten; Paulus, Beate

2012-03-28

We have performed CCSD(T), MP2, and DF-LMP2 calculations of the interaction energy of CO on the MgF(2)(110) surface by applying the method of increments and an embedded cluster model. In addition, we performed periodic HF, B3LYP, and DF-LMP2 calculations and compare them to the cluster results. The incremental CCSD(T) calculations predict an interaction energy of E(int) = -0.37 eV with a C-down orientation of CO above a Mg(2+) ion at the surface with a basis set of VTZ quality. We find that electron correlation constitutes about 50% of the binding energy and a detailed evaluation of the increments shows that the largest contribution to the correlation energy originates from the CO interaction with the closest F ions on the second layer.

Dark Energy and Key Physical Parameters of Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Chernin, A. D.; Bisnovatyi-Kogan, G. S.

We discuss the physics of clusters of galaxies embedded in the cosmic dark energy background and show that 1) the halo cut-off radius of a cluster like the Virgo cluster is practically, if not exactly, equal to the zero-gravity radius at which the dark matter gravity is balanced by the dark energy antigravity; 2) the halo averaged density is equal to two densities of dark energy; 3) the halo edge (cut-off) density is the dark energy density with a numerical factor of the unity order slightly depending on the halo profile.

Brief Report: Clustered Forward Chaining with Embedded Mastery Probes to Teach Recipe Following

ERIC Educational Resources Information Center

Chazin, Kate T.; Bartelmay, Danielle N.; Lambert, Joseph M.; Houchins-Juárez, Nealetta J.

2017-01-01

This study evaluated the effectiveness of a clustered forward chaining (CFC) procedure to teach a 23-year-old male with autism to follow written recipes. CFC incorporates elements of forward chaining (FC) and total task chaining (TTC) by teaching a small number of steps (i.e., units) using TTC, introducing new units sequentially (akin to FC), and…

A recurrence network approach for the analysis of skin blood flow dynamics in response to loading pressure.

PubMed

Liao, Fuyuan; Jan, Yih-Kuen

2012-06-01

This paper presents a recurrence network approach for the analysis of skin blood flow dynamics in response to loading pressure. Recurrence is a fundamental property of many dynamical systems, which can be explored in phase spaces constructed from observational time series. A visualization tool of recurrence analysis called recurrence plot (RP) has been proved to be highly effective to detect transitions in the dynamics of the system. However, it was found that delay embedding can produce spurious structures in RPs. Network-based concepts have been applied for the analysis of nonlinear time series recently. We demonstrate that time series with different types of dynamics exhibit distinct global clustering coefficients and distributions of local clustering coefficients and that the global clustering coefficient is robust to the embedding parameters. We applied the approach to study skin blood flow oscillations (BFO) response to loading pressure. The results showed that global clustering coefficients of BFO significantly decreased in response to loading pressure (p<0.01). Moreover, surrogate tests indicated that such a decrease was associated with a loss of nonlinearity of BFO. Our results suggest that the recurrence network approach can practically quantify the nonlinear dynamics of BFO.

Topological analysis of group fragmentation in multiagent systems

NASA Astrophysics Data System (ADS)

DeLellis, Pietro; Porfiri, Maurizio; Bollt, Erik M.

2013-02-01

In social animals, the presence of conflicts of interest or multiple leaders can promote the emergence of two or more subgroups. Such subgroups are easily recognizable by human observers, yet a quantitative and objective measure of group fragmentation is currently lacking. In this paper, we explore the feasibility of detecting group fragmentation by embedding the raw data from the individuals' motions on a low-dimensional manifold and analyzing the topological features of this manifold. To perform the embedding, we employ the isomap algorithm, which is a data-driven machine learning tool extensively used in computer vision. We implement this procedure on a data set generated by a modified à la Vicsek model, where agents are partitioned into two or more subsets and an independent leader is assigned to each subset. The dimensionality of the embedding manifold is shown to be a measure of the number of emerging subgroups in the selected observation window and a cluster analysis is proposed to aid the interpretation of these findings. To explore the feasibility of using this approach to characterize group fragmentation in real time and thus reduce the computational cost in data processing and storage, we propose an interpolation method based on an inverse mapping from the embedding space to the original space. The effectiveness of the interpolation technique is illustrated on a test-bed example with potential impact on the regulation of collective behavior of animal groups using robotic stimuli.

Sorting Five Human Tumor Types Reveals Specific Biomarkers and Background Classification Genes.

PubMed

Roche, Kimberly E; Weinstein, Marvin; Dunwoodie, Leland J; Poehlman, William L; Feltus, Frank A

2018-05-25

We applied two state-of-the-art, knowledge independent data-mining methods - Dynamic Quantum Clustering (DQC) and t-Distributed Stochastic Neighbor Embedding (t-SNE) - to data from The Cancer Genome Atlas (TCGA). We showed that the RNA expression patterns for a mixture of 2,016 samples from five tumor types can sort the tumors into groups enriched for relevant annotations including tumor type, gender, tumor stage, and ethnicity. DQC feature selection analysis discovered 48 core biomarker transcripts that clustered tumors by tumor type. When these transcripts were removed, the geometry of tumor relationships changed, but it was still possible to classify the tumors using the RNA expression profiles of the remaining transcripts. We continued to remove the top biomarkers for several iterations and performed cluster analysis. Even though the most informative transcripts were removed from the cluster analysis, the sorting ability of remaining transcripts remained strong after each iteration. Further, in some iterations we detected a repeating pattern of biological function that wasn't detectable with the core biomarker transcripts present. This suggests the existence of a "background classification" potential in which the pattern of gene expression after continued removal of "biomarker" transcripts could still classify tumors in agreement with the tumor type.

XMM-Newton Observations of the Toothbrush and Sausage Clusters

NASA Astrophysics Data System (ADS)

Kara, S.; Mernier, F.; Ezer, C.; Akamatsu, H.; Ercan, E.

2017-10-01

Galaxy clusters are the largest gravitationally-bound objects in the universe. The member galaxies are embedded in a hot X-ray emitting Intra Cluster Medium (ICM) that has been enriched with metals produced by supernovae over the last billion years. Here we report new results from XMM-Newton archival observations of the merging clusters 1RXSJ0603.3+4213 and CIZA J2242.8+5301. These two clusters, also known as the Toothbrush and Sausage clusters, respectively, show a large radio relic associated with a merger shock North of their respective core. We show the distribution of the metal abundances with respect to the merger structures in these two clusters. The results are derived from spatially resolved X-ray spectra from the EPIC instrument on board XMM-Newton.

Identifying synonymy between relational phrases using word embeddings.

PubMed

Nguyen, Nhung T H; Miwa, Makoto; Tsuruoka, Yoshimasa; Tojo, Satoshi

2015-08-01

Many text mining applications in the biomedical domain benefit from automatic clustering of relational phrases into synonymous groups, since it alleviates the problem of spurious mismatches caused by the diversity of natural language expressions. Most of the previous work that has addressed this task of synonymy resolution uses similarity metrics between relational phrases based on textual strings or dependency paths, which, for the most part, ignore the context around the relations. To overcome this shortcoming, we employ a word embedding technique to encode relational phrases. We then apply the k-means algorithm on top of the distributional representations to cluster the phrases. Our experimental results show that this approach outperforms state-of-the-art statistical models including latent Dirichlet allocation and Markov logic networks. Copyright © 2015 Elsevier Inc. All rights reserved.

Physical conditions in star-forming regions around S235

NASA Astrophysics Data System (ADS)

Kirsanova, M. S.; Wiebe, D. S.; Sobolev, A. M.; Henkel, C.; Tsivilev, A. P.

2014-01-01

Gas density and temperature in star-forming regions around Sh2-235 are derived from ammonia line observations. This information is used to evaluate formation scenarios and to determine evolutionary stages of the young embedded clusters S235 East 1, S235 East 2 and S235 Central. We also estimate the gas mass in the embedded clusters and its ratio to the stellar mass. S235 East 1 appears to be less evolved than S235 East 2 and S235 Central. In S235 East 1 the molecular gas mass exceeds that in the other clusters. Also, this cluster is more embedded in the parent gas cloud than the other two. Comparison with a theoretical model shows that the formation of these three clusters could have been stimulated by the expansion of the Sh2-235 H II region (hereafter S235) via a collect-and-collapse process, provided the density in the surrounding gas exceeds 3 × 103 cm-3, or via collapse of pre-existing clumps. The expansion of S235 cannot be responsible for star formation in the southern S235 A-B region. However, formation of the massive stars in this region might have been triggered by a large-scale supernova shock. Thus, triggered star formation in the studied region may come in three varieties, namely collect-and-collapse and collapse of pre-existing clumps, both initiated by expansion of the local H II regions, and triggered by an external large-scale shock. We argue that the S235 A H II region expands into a highly non-uniform medium with increasing density. It is too young to trigger star formation in its vicinity by a collect-and-collapse process. There is an age spread inside the S235 A-B region. Massive stars in the S235 A-B region are considerably younger than lower mass stars in the same area. This follows from the estimates of their ages and the ages of associated H II regions.

Planet population synthesis driven by pebble accretion in cluster environments

NASA Astrophysics Data System (ADS)

Ndugu, N.; Bitsch, B.; Jurua, E.

2018-02-01

The evolution of protoplanetary discs embedded in stellar clusters depends on the age and the stellar density in which they are embedded. Stellar clusters of young age and high stellar surface density destroy protoplanetary discs by external photoevaporation and stellar encounters. Here, we consider the effect of background heating from newly formed stellar clusters on the structure of protoplanetary discs and how it affects the formation of planets in these discs. Our planet formation model is built on the core accretion scenario, where we take the reduction of the core growth time-scale due to pebble accretion into account. We synthesize planet populations that we compare to observations obtained by radial velocity measurements. The giant planets in our simulations migrate over large distances due to the fast type-II migration regime induced by a high disc viscosity (α = 5.4 × 10-3). Cold Jupiters (rp > 1 au) originate preferably from the outer disc, due to the large-scale planetary migration, while hot Jupiters (rp < 0.1 au) preferably form in the inner disc. We find that the formation of gas giants via pebble accretion is in agreement with the metallicity correlation, meaning that more gas giants are formed at larger metallicity. However, our synthetic population of isolated stars host a significant amount of giant planets even at low metallicity, in contradiction to observations where giant planets are preferably found around high metallicity stars, indicating that pebble accretion is very efficient in the standard pebble accretion framework. On the other hand, discs around stars embedded in cluster environments hardly form any giant planets at low metallicity in agreement with observations, where these changes originate from the increased temperature in the outer parts of the disc, which prolongs the core accretion time-scale of the planet. We therefore conclude that the outer disc structure and the planet's formation location determines the giant planet occurrence rate and the formation efficiency of cold and hot Jupiters.

Molybdenum cluster loaded PLGA nanoparticles: An innovative theranostic approach for the treatment of ovarian cancer.

PubMed

Brandhonneur, N; Hatahet, T; Amela-Cortes, M; Molard, Y; Cordier, S; Dollo, G

2018-04-01

We evaluate poly (d,l-lactide-co-glycolide) (PLGA) nanoparticles embedding inorganic molybdenum octahedral cluster for photodynamic therapy of cancer (PDT). Tetrabutyl ammonium salt of Mo 6 Br 14 cluster unit, (TBA) 2 Mo 6 Br 14 , presents promising photosensitization activity in the destruction of targeted cancer cells. Stable cluster loaded nanoparticles (CNPs) were prepared by solvent displacement method showing spherical shapes, zeta potential values around -30 mV, polydispersity index lower than 0.2 and sizes around 100 nm. FT-IR and DSC analysis revealed the lack of strong chemical interaction between the cluster and the polymer within the nanoparticles. In vitro release study showed that (TBA) 2 Mo 6 Br 14 was totally dissolved in 20 min, while CNPs were able to control the release of encapsulated cluster. In vitro cellular viability studies conducted on A2780 ovarian cancer cell line treated up to 72 h with cluster or CNPs did not show any sign of toxicity in concentrations up to 20 µg/ml. This concentration was selected for photo-activation test on A2780 cells and CNPs were able to generate oxygen singlet resulting in a decrease of the cellular viability up to 50%, respectively compared to non-activated conditions. This work presents (TBA) 2 Mo 6 Br 14 as a novel photosensitizer for PDT and suggests PLGA nanoparticles as an efficient delivery system intended for tumor targeting. Copyright © 2018 Elsevier B.V. All rights reserved.

Application of dynamic topic models to toxicogenomics data.

PubMed

Lee, Mikyung; Liu, Zhichao; Huang, Ruili; Tong, Weida

2016-10-06

All biological processes are inherently dynamic. Biological systems evolve transiently or sustainably according to sequential time points after perturbation by environment insults, drugs and chemicals. Investigating the temporal behavior of molecular events has been an important subject to understand the underlying mechanisms governing the biological system in response to, such as, drug treatment. The intrinsic complexity of time series data requires appropriate computational algorithms for data interpretation. In this study, we propose, for the first time, the application of dynamic topic models (DTM) for analyzing time-series gene expression data. A large time-series toxicogenomics dataset was studied. It contains over 3144 microarrays of gene expression data corresponding to rat livers treated with 131 compounds (most are drugs) at two doses (control and high dose) in a repeated schedule containing four separate time points (4-, 8-, 15- and 29-day). We analyzed, with DTM, the topics (consisting of a set of genes) and their biological interpretations over these four time points. We identified hidden patterns embedded in this time-series gene expression profiles. From the topic distribution for compound-time condition, a number of drugs were successfully clustered by their shared mode-of-action such as PPARɑ agonists and COX inhibitors. The biological meaning underlying each topic was interpreted using diverse sources of information such as functional analysis of the pathways and therapeutic uses of the drugs. Additionally, we found that sample clusters produced by DTM are much more coherent in terms of functional categories when compared to traditional clustering algorithms. We demonstrated that DTM, a text mining technique, can be a powerful computational approach for clustering time-series gene expression profiles with the probabilistic representation of their dynamic features along sequential time frames. The method offers an alternative way for uncovering hidden patterns embedded in time series gene expression profiles to gain enhanced understanding of dynamic behavior of gene regulation in the biological system.

Self-energy behavior away from the Fermi surface in doped Mott insulators.

PubMed

Merino, J; Gunnarsson, O; Kotliar, G

2016-02-03

We analyze self-energies of electrons away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole doping, the magnitude of the self-energy for imaginary frequencies at the top of the band ([Formula: see text]) is enhanced with respect to the self-energy magnitude at the bottom of the band ([Formula: see text]). The self-energy behavior at these two [Formula: see text]-points is switched for electron doping. Although the hybridization is much larger for (0, 0) than for [Formula: see text], we demonstrate that this is not the origin of this difference. Isolated clusters under a downward shift of the chemical potential, [Formula: see text], at half-filling reproduce the overall self-energy behavior at (0, 0) and [Formula: see text] found in low hole doped embedded clusters. This happens although there is no change in the electronic structure of the isolated clusters. Our analysis shows that a downward shift of the chemical potential which weakly hole dopes the Mott insulator can lead to a large enhancement of the [Formula: see text] self-energy for imaginary frequencies which is not associated with electronic correlation effects, even in embedded clusters. Interpretations of the strength of electronic correlations based on self-energies for imaginary frequencies are, in general, misleading for states away from the Fermi surface.

Measurement of surface roughness changes of unpolished and polished enamel following erosion

PubMed Central

Austin, Rupert S.; Parkinson, Charles R.; Hasan, Adam; Bartlett, David W.

2017-01-01

Objectives To determine if Sa roughness data from measuring one central location of unpolished and polished enamel were representative of the overall surfaces before and after erosion. Methods Twenty human enamel sections (4x4 mm) were embedded in bis-acryl composite and randomised to either a native or polishing enamel preparation protocol. Enamel samples were subjected to an acid challenge (15 minutes 100 mL orange juice, pH 3.2, titratable acidity 41.3mmol OH/L, 62.5 rpm agitation, repeated for three cycles). Median (IQR) surface roughness [Sa] was measured at baseline and after erosion from both a centralised cluster and four peripheral clusters. Within each cluster, five smaller areas (0.04 mm2) provided the Sa roughness data. Results For both unpolished and polished enamel samples there were no significant differences between measuring one central cluster or four peripheral clusters, before and after erosion. For unpolished enamel the single central cluster had a median (IQR) Sa roughness of 1.45 (2.58) μm and the four peripheral clusters had a median (IQR) of 1.32 (4.86) μm before erosion; after erosion there were statistically significant reductions to 0.38 (0.35) μm and 0.34 (0.49) μm respectively (p<0.0001). Polished enamel had a median (IQR) Sa roughness 0.04 (0.17) μm for the single central cluster and 0.05 (0.15) μm for the four peripheral clusters which statistically significantly increased after erosion to 0.27 (0.08) μm for both (p<0.0001). Conclusion Measuring one central cluster of unpolished and polished enamel was representative of the overall enamel surface roughness, before and after erosion. PMID:28771562

A methodological study of genome-wide DNA methylation analyses using matched archival formalin-fixed paraffin embedded and fresh frozen breast tumors

PubMed Central

Yan, Li; Liu, Song; Tang, Li; Hu, Qiang; Morrison, Carl D.; Ambrosone, Christine B.; Higgins, Michael J.; Sucheston-Campbell, Lara E.

2017-01-01

Background DNA from archival formalin-fixed and paraffin embedded (FFPE) tissue is an invaluable resource for genome-wide methylation studies although concerns about poor quality may limit its use. In this study, we compared DNA methylation profiles of breast tumors using DNA from fresh-frozen (FF) tissues and three types of matched FFPE samples. Results For 9/10 patients, correlation and unsupervised clustering analysis revealed that the FF and FFPE samples were consistently correlated with each other and clustered into distinct subgroups. Greater than 84% of the top 100 loci previously shown to differentiate ER+ and ER– tumors in FF tissues were also FFPE DML. Weighted Correlation Gene Network Analyses (WCGNA) grouped the DML loci into 16 modules in FF tissue, with ~85% of the module membership preserved across tissue types. Materials and Methods Restored FFPE and matched FF samples were profiled using the Illumina Infinium HumanMethylation450K platform. Methylation levels (β-values) across all loci and the top 100 loci previously shown to differentiate tumors by estrogen receptor status (ER+ or ER−) in a larger FF study, were compared between matched FF and FFPE samples using Pearson's correlation, hierarchical clustering and WCGNA. Positive predictive values and sensitivity levels for detecting differentially methylated loci (DML) in FF samples were calculated in an independent FFPE cohort. Conclusions FFPE breast tumors samples show lower overall detection of DMLs versus FF, however FFPE and FF DMLs compare favorably. These results support the emerging consensus that the 450K platform can be employed to investigate epigenetics in large sets of archival FFPE tissues. PMID:28118602

A Constraint on the Formation Timescale of the Young Open Cluster NGC 2264: Lithium Abundance of Pre-main Sequence Stars

NASA Astrophysics Data System (ADS)

Lim, Beomdu; Sung, Hwankyung; Kim, Jinyoung S.; Bessell, Michael S.; Hwang, Narae; Park, Byeong-Gon

2016-11-01

The timescale of cluster formation is an essential parameter in order to understand the formation process of star clusters. Pre-main sequence (PMS) stars in nearby young open clusters reveal a large spread in brightness. If the spread were considered to be a result of a real spread in age, the corresponding cluster formation timescale would be about 5-20 Myr. Hence it could be interpreted that star formation in an open cluster is prolonged for up to a few tens of Myr. However, difficulties in reddening correction, observational errors, and systematic uncertainties introduced by imperfect evolutionary models for PMS stars can result in an artificial age spread. Alternatively, we can utilize Li abundance as a relative age indicator of PMS star to determine the cluster formation timescale. The optical spectra of 134 PMS stars in NGC 2264 have been obtained with MMT/Hectochelle. The equivalent widths have been measured for 86 PMS stars with a detectable Li line (3500\\lt {T}{eff}[{{K}}]≤slant 6500). Li abundance under the condition of local thermodynamic equilibrium (LTE) was derived using the conventional curve of growth method. After correction for non-LTE effects, we find that the initial Li abundance of NGC 2264 is A({Li})=3.2+/- 0.2. From the distribution of the Li abundances, the underlying age spread of the visible PMS stars is estimated to be about 3-4 Myr and this, together with the presence of embedded populations in NGC 2264, suggests that the cluster formed on a timescale shorter than 5 Myr.

Functionalizing graphene by embedded boron clusters

NASA Astrophysics Data System (ADS)

Quandt, Alexander; Özdoğan, Cem; Kunstmann, Jens; Fehske, Holger

2008-08-01

We present a model system that might serve as a blueprint for the controlled layout of graphene based nanodevices. The systems consists of chains of B7 clusters implanted in a graphene matrix, where the boron clusters are not directly connected. We show that the graphene matrix easily accepts these alternating B7-C6 chains and that the implanted boron components may dramatically modify the electronic properties of graphene based nanomaterials. This suggests a functionalization of graphene nanomaterials, where the semiconducting properties might be supplemented by parts of the graphene matrix itself, but the basic wiring will be provided by alternating chains of implanted boron clusters that connect these areas.

A Structure-Based Distance Metric for High-Dimensional Space Exploration with Multi-Dimensional Scaling

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

Lee, Hyun Jung; McDonnell, Kevin T.; Zelenyuk, Alla

2014-03-01

Although the Euclidean distance does well in measuring data distances within high-dimensional clusters, it does poorly when it comes to gauging inter-cluster distances. This significantly impacts the quality of global, low-dimensional space embedding procedures such as the popular multi-dimensional scaling (MDS) where one can often observe non-intuitive layouts. We were inspired by the perceptual processes evoked in the method of parallel coordinates which enables users to visually aggregate the data by the patterns the polylines exhibit across the dimension axes. We call the path of such a polyline its structure and suggest a metric that captures this structure directly inmore » high-dimensional space. This allows us to better gauge the distances of spatially distant data constellations and so achieve data aggregations in MDS plots that are more cognizant of existing high-dimensional structure similarities. Our MDS plots also exhibit similar visual relationships as the method of parallel coordinates which is often used alongside to visualize the high-dimensional data in raw form. We then cast our metric into a bi-scale framework which distinguishes far-distances from near-distances. The coarser scale uses the structural similarity metric to separate data aggregates obtained by prior classification or clustering, while the finer scale employs the appropriate Euclidean distance.« less

Embedded Star Formation in the Eagle Nebula with Spitzer GLIMPSE

NASA Astrophysics Data System (ADS)

Indebetouw, R.; Robitaille, T. P.; Whitney, B. A.; Churchwell, E.; Babler, B.; Meade, M.; Watson, C.; Wolfire, M.

2007-09-01

We present new Spitzer photometry of the Eagle Nebula (M16, containing the optical cluster NGC 6611) combined with near-infrared photometry from 2MASS. We use dust radiative transfer models, mid-infrared and near-infrared color-color analysis, and mid-infrared spectral indices to analyze point-source spectral energy distributions, select candidate YSOs, and constrain their mass and evolutionary state. Comparison of the different protostellar selection methods shows that mid-infrared methods are consistent, but as has been known for some time, near-infrared-only analysis misses some young objects. We reveal more than 400 protostellar candidates, including one massive YSO that has not been previously highlighted. The YSO distribution supports a picture of distributed low-level star formation, with no strong evidence of triggered star formation in the ``pillars.'' We confirm the youth of NGC 6611 by a large fraction of infrared excess sources and reveal a younger cluster of YSOs in the nearby molecular cloud. Analysis of the YSO clustering properties shows a possible imprint of the molecular cloud's Jeans length. Multiwavelength mid-IR imaging thus allows us to analyze the protostellar population, to measure the dust temperature and column density, and to relate these in a consistent picture of star formation in M16.

Mapping Dark Matter in Simulated Galaxy Clusters

NASA Astrophysics Data System (ADS)

Bowyer, Rachel

2018-01-01

Galaxy clusters are the most massive bound objects in the Universe with most of their mass being dark matter. Cosmological simulations of structure formation show that clusters are embedded in a cosmic web of dark matter filaments and large scale structure. It is thought that these filaments are found preferentially close to the long axes of clusters. We extract galaxy clusters from the simulations "cosmo-OWLS" in order to study their properties directly and also to infer their properties from weak gravitational lensing signatures. We investigate various stacking procedures to enhance the signal of the filaments and large scale structure surrounding the clusters to better understand how the filaments of the cosmic web connect with galaxy clusters. This project was supported in part by the NSF REU grant AST-1358980 and by the Nantucket Maria Mitchell Association.

An extended transfer operator approach to identify separatrices in open flows

NASA Astrophysics Data System (ADS)

Lünsmann, Benedict; Kantz, Holger

2018-05-01

Vortices of coherent fluid volume are considered to have a substantial impact on transport processes in turbulent media. Yet, due to their Lagrangian nature, detecting these structures is highly nontrivial. In this respect, transfer operator approaches have been proven to provide useful tools: Approximating a possibly time-dependent flow as a discrete Markov process in space and time, information about coherent structures is contained in the operator's eigenvectors, which is usually extracted by employing clustering methods. Here, we propose an extended approach that couples surrounding filaments using "mixing boundary conditions" and focuses on the separation of the inner coherent set and embedding outer flow. The approach refrains from using unsupervised machine learning techniques such as clustering and uses physical arguments by maximizing a coherence ratio instead. We show that this technique improves the reconstruction of separatrices in stationary open flows and succeeds in finding almost-invariant sets in periodically perturbed flows.

Cohesive Energies of Some Transition Metal Compounds Using Embedded Clusters

NASA Astrophysics Data System (ADS)

Press, Mehernosh Rustom

The molecular-clusters approach to electronic structure calculation is especially well-suited to the study of properties that depend primarily on the local environment of a system, especially those with no translational symmetry, e.g. systems with defects and structural deformations. The presence of the rest of the crystal environment can be accounted for approximately by embedding the cluster in a self-consistent crystal potential. This thesis makes a contribution in the area of investigating the capability of embedded molecular-clusters to yield reliable bulk structural properties. To this end, an algorithm for calculating the cohesive energies of clusters within the discrete-variational X(,(alpha)) LCAO-MO formulation is set up and verified on simple solids: Li, Na, Cu and LiF. We then use this formulation to study transition metal compounds, for which the interesting physics lies in local lattice defects, foreign impurities and structural deformations. In a self -consistent calculation of the lattice energies and stability of defect clusters in wustite, Fe(,1-x)O, corner-sharing aggregates of the 4:1 defect are identified as the most stable defect configurations due to efficient compensation of the cluster charge. The intercalation properties of layered-transition-metal-dichalcogenides continues to be a fertile experimental working area, backed by comparatively little theoretical study. We find that intercalation of ZrS(,2) with Na perturbs the valence energy level structure sufficiently to induce a more ionic Zr-S bond, a narrowing of the optical gap and filling of the lowest unoccupied host lattice orbitals with the electron donated by Na. Fe - intercalation in ZrS(,2) is accommodated via a strong Fe-S bond, impurity-like band levels in the optical gap of the host and hybridization-driven compression and lowering of the conduction band energy levels. The piezoelectric cuprous halides, CuCl and CuBr, exhibit a host of intriguing properties due to a filled and very active d('10) shell at the Fermi energy. A self-consistent calculation via energy minimization of the internal strain in these compounds shows both Cu-halide bonds to be very rigid with little charge delocalization under strain. Piezoelectric response is calculated in terms of effective charges and quadrupolar moments, e(,T) and (DELTA)Q.

HST-WFPC2 Observations of the Star Clusters in the Giant H II Regions of M33

NASA Astrophysics Data System (ADS)

Lee, Myung Gyoon; Park, Hong Soo; Kim, Sang Chul; Waller, William H.; Parker, Joel Wm.; Malumuth, Eliot M.; Hodge, Paul W.

We present a photometric study of the stars in ionizing star clusters embedded in several giant H II regions of M33 (CC93, IC 142, NGC 595, MA2, NGC 604 and NGC 588). Our photometry is based on the HST-WFPC2 images of these clusters. Color-magnitude diagrams and color-color diagrams of these clusters are obtained and are used for estimating the reddenings and ages of the clusters. The luminosity functions (LFs) and initial mass functions (IMFs) of the massive stars in these clusters are also derived. The slopes of the IMFs range from Γ = -0.5 to -2.1. Interestingly, it is found that the IMFs get steeper with increasing galactocentric distance and with decreasing [O/H] abundance.

Probabilistic Analysis of Hierarchical Cluster Protocols for Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Kaj, Ingemar

Wireless sensor networks are designed to extract data from the deployment environment and combine sensing, data processing and wireless communication to provide useful information for the network users. Hundreds or thousands of small embedded units, which operate under low-energy supply and with limited access to central network control, rely on interconnecting protocols to coordinate data aggregation and transmission. Energy efficiency is crucial and it has been proposed that cluster based and distributed architectures such as LEACH are particularly suitable. We analyse the random cluster hierarchy in this protocol and provide a solution for low-energy and limited-loss optimization. Moreover, we extend these results to a multi-level version of LEACH, where clusters of nodes again self-organize to form clusters of clusters, and so on.

Molecular simulation of the effect of cholesterol on lipid-mediated protein-protein interactions.

PubMed

de Meyer, Frédérick J-M; Rodgers, Jocelyn M; Willems, Thomas F; Smit, Berend

2010-12-01

Experiments and molecular simulations have shown that the hydrophobic mismatch between proteins and membranes contributes significantly to lipid-mediated protein-protein interactions. In this article, we discuss the effect of cholesterol on lipid-mediated protein-protein interactions as function of hydrophobic mismatch, protein diameter and protein cluster size, lipid tail length, and temperature. To do so, we study a mesoscopic model of a hydrated bilayer containing lipids and cholesterol in which proteins are embedded, with a hybrid dissipative particle dynamics-Monte Carlo method. We propose a mechanism by which cholesterol affects protein interactions: protein-induced, cholesterol-enriched, or cholesterol-depleted lipid shells surrounding the proteins affect the lipid-mediated protein-protein interactions. Our calculations of the potential of mean force between proteins and protein clusters show that the addition of cholesterol dramatically reduces repulsive lipid-mediated interactions between proteins (protein clusters) with positive mismatch, but does not affect attractive interactions between proteins with negative mismatch. Cholesterol has only a modest effect on the repulsive interactions between proteins with different mismatch. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Clustering for unsupervised fault diagnosis in nuclear turbine shut-down transients

NASA Astrophysics Data System (ADS)

Baraldi, Piero; Di Maio, Francesco; Rigamonti, Marco; Zio, Enrico; Seraoui, Redouane

2015-06-01

Empirical methods for fault diagnosis usually entail a process of supervised training based on a set of examples of signal evolutions "labeled" with the corresponding, known classes of fault. However, in practice, the signals collected during plant operation may be, very often, "unlabeled", i.e., the information on the corresponding type of occurred fault is not available. To cope with this practical situation, in this paper we develop a methodology for the identification of transient signals showing similar characteristics, under the conjecture that operational/faulty transient conditions of the same type lead to similar behavior in the measured signals evolution. The methodology is founded on a feature extraction procedure, which feeds a spectral clustering technique, embedding the unsupervised fuzzy C-means (FCM) algorithm, which evaluates the functional similarity among the different operational/faulty transients. A procedure for validating the plausibility of the obtained clusters is also propounded based on physical considerations. The methodology is applied to a real industrial case, on the basis of 148 shut-down transients of a Nuclear Power Plant (NPP) steam turbine.

Optical absorption spectra and g factor of MgO: Mn2+explored by ab initio and semi empirical methods

NASA Astrophysics Data System (ADS)

Andreici Eftimie, E.-L.; Avram, C. N.; Brik, M. G.; Avram, N. M.

2018-02-01

In this paper we present a methodology for calculations of the optical absorption spectra, ligand field parameters and g factor for the Mn2+ (3d5) ions doped in MgO host crystal. The proposed technique combines two methods: the ab initio multireference (MR) and the semi empirical ligand field (LF) in the framework of the exchange charge model (ECM) respectively. Both methods of calculations are applied to the [MnO6]10-cluster embedded in an extended point charge field of host matrix ligands based on Gellé-Lepetit procedure. The first step of such investigations was the full optimization of the cubic structure of perfect MgO crystal, followed by the structural optimization of the doped of MgO:Mn2+ system, using periodic density functional theory (DFT). The ab initio MR wave functions approaches, such as complete active space self-consistent field (CASSCF), N-electron valence second order perturbation theory (NEVPT2) and spectroscopy oriented configuration interaction (SORCI), are used for the calculations. The scalar relativistic effects have also been taken into account through the second order Douglas-Kroll-Hess (DKH2) procedure. Ab initio ligand field theory (AILFT) allows to extract all LF parameters and spin-orbit coupling constant from such calculations. In addition, the ECM of ligand field theory (LFT) has been used for modelling theoptical absorption spectra. The perturbation theory (PT) was employed for the g factor calculation in the semi empirical LFT. The results of each of the aforementioned types of calculations are discussed and the comparisons between the results obtained and the experimental results show a reasonable agreement, which justifies this new methodology based on the simultaneous use of both methods. This study establishes fundamental principles for the further modelling of larger embedded cluster models of doped metal oxides.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.

Metal-superconductor transition in low-dimensional superconducting clusters embedded in two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Bucheli, D.; Caprara, S.; Castellani, C.; Grilli, M.

2013-02-01

Motivated by recent experimental data on thin film superconductors and oxide interfaces, we propose a random-resistor network apt to describe the occurrence of a metal-superconductor transition in a two-dimensional electron system with disorder on the mesoscopic scale. We consider low-dimensional (e.g. filamentary) structures of a superconducting cluster embedded in the two-dimensional network and we explore the separate effects and the interplay of the superconducting structure and of the statistical distribution of local critical temperatures. The thermal evolution of the resistivity is determined by a numerical calculation of the random-resistor network and, for comparison, a mean-field approach called effective medium theory (EMT). Our calculations reveal the relevance of the distribution of critical temperatures for clusters with low connectivity. In addition, we show that the presence of spatial correlations requires a modification of standard EMT to give qualitative agreement with the numerical results. Applying the present approach to an LaTiO3/SrTiO3 oxide interface, we find that the measured resistivity curves are compatible with a network of spatially dense but loosely connected superconducting islands.

Weighing the Giants - I. Weak-lensing masses for 51 massive galaxy clusters: project overview, data analysis methods and cluster images

NASA Astrophysics Data System (ADS)

von der Linden, Anja; Allen, Mark T.; Applegate, Douglas E.; Kelly, Patrick L.; Allen, Steven W.; Ebeling, Harald; Burchat, Patricia R.; Burke, David L.; Donovan, David; Morris, R. Glenn; Blandford, Roger; Erben, Thomas; Mantz, Adam

2014-03-01

This is the first in a series of papers in which we measure accurate weak-lensing masses for 51 of the most X-ray luminous galaxy clusters known at redshifts 0.15 ≲ zCl ≲ 0.7, in order to calibrate X-ray and other mass proxies for cosmological cluster experiments. The primary aim is to improve the absolute mass calibration of cluster observables, currently the dominant systematic uncertainty for cluster count experiments. Key elements of this work are the rigorous quantification of systematic uncertainties, high-quality data reduction and photometric calibration, and the `blind' nature of the analysis to avoid confirmation bias. Our target clusters are drawn from X-ray catalogues based on the ROSAT All-Sky Survey, and provide a versatile calibration sample for many aspects of cluster cosmology. We have acquired wide-field, high-quality imaging using the Subaru Telescope and Canada-France-Hawaii Telescope for all 51 clusters, in at least three bands per cluster. For a subset of 27 clusters, we have data in at least five bands, allowing accurate photometric redshift estimates of lensed galaxies. In this paper, we describe the cluster sample and observations, and detail the processing of the SuprimeCam data to yield high-quality images suitable for robust weak-lensing shape measurements and precision photometry. For each cluster, we present wide-field three-colour optical images and maps of the weak-lensing mass distribution, the optical light distribution and the X-ray emission. These provide insights into the large-scale structure in which the clusters are embedded. We measure the offsets between X-ray flux centroids and the brightest cluster galaxies in the clusters, finding these to be small in general, with a median of 20 kpc. For offsets ≲100 kpc, weak-lensing mass measurements centred on the brightest cluster galaxies agree well with values determined relative to the X-ray centroids; miscentring is therefore not a significant source of systematic uncertainty for our weak-lensing mass measurements. In accompanying papers, we discuss the key aspects of our photometric calibration and photometric redshift measurements (Kelly et al.), and measure cluster masses using two methods, including a novel Bayesian weak-lensing approach that makes full use of the photometric redshift probability distributions for individual background galaxies (Applegate et al.). In subsequent papers, we will incorporate these weak-lensing mass measurements into a self-consistent framework to simultaneously determine cluster scaling relations and cosmological parameters.

Theoretical research program to study transition metal trimers and embedded clusters

NASA Technical Reports Server (NTRS)

Walch, S. P.

1984-01-01

Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.

Dynamical equivalence, the origin of the Galactic field stellar and binary population, and the initial radius-mass relation of embedded clusters

NASA Astrophysics Data System (ADS)

Belloni, Diogo; Kroupa, Pavel; Rocha-Pinto, Helio J.; Giersz, Mirek

2018-03-01

In order to allow a better understanding of the origin of Galactic field populations, dynamical equivalence of stellar-dynamical systems has been postulated by Kroupa and Belloni et al. to allow mapping of solutions of the initial conditions of embedded clusters such that they yield, after a period of dynamical processing, the Galactic field population. Dynamically equivalent systems are defined to initially and finally have the same distribution functions of periods, mass ratios and eccentricities of binary stars. Here, we search for dynamically equivalent clusters using the MOCCA code. The simulations confirm that dynamically equivalent solutions indeed exist. The result is that the solution space is next to identical to the radius-mass relation of Marks & Kroupa, ( r_h/pc )= 0.1^{+0.07}_{-0.04} ( M_ecl/M_{⊙} )^{0.13± 0.04}. This relation is in good agreement with the oIMF. This is achieved by applying a similar procedurebserved density of molecular cloud clumps. According to the solutions, the time-scale to reach dynamical equivalence is about 0.5 Myr which is, interestingly, consistent with the lifetime of ultra-compact H II regions and the time-scale needed for gas expulsion to be active in observed very young clusters as based on their dynamical modelling.

A multi-wavelength census of star formation activity in the young embedded cluster around Serpens/G3-G6

NASA Astrophysics Data System (ADS)

Djupvik, A. A.; André, Ph.; Bontemps, S.; Motte, F.; Olofsson, G.; Gålfalk, M.; Florén, H.-G.

2006-11-01

Aims.The aim of this paper is to characterise the star formation activity in the poorly studied embedded cluster Serpens/G3-G6, located ~45 arcmin (3 pc) to the south of the Serpens Cloud Core, and to determine the luminosity and mass functions of its population of Young Stellar Objects (YSOs). Methods: .Multi-wavelength broadband photometry was obtained to sample the near and mid-IR spectral energy distributions to separate YSOs from field stars and classify the YSO evolutionary stage. ISOCAM mapping in the two filters LW2 (5-8.5 μm) and LW3 (12-18 μm) of a 19 arcmin × 16 arcmin field was combined with JHKS data from 2MASS, KS data from Arnica/NOT, and L arcmin data from SIRCA/NOT. Continuum emission at 1.3 mm (IRAM) and 3.6 cm (VLA) was mapped to study the cloud structure and the coldest/youngest sources. Deep narrow band imaging at the 2.12 μm S(1) line of H2 from NOTCam/NOT was obtained to search for signs of bipolar outflows. Results: .We have strong evidence for a stellar population of 31 Class II sources, 5 flat-spectrum sources, 5 Class I sources, and two Class 0 sources. Our method does not sample the Class III sources. The cloud is composed of two main dense clumps aligned along a ridge over ~0.5 pc plus a starless core coinciding with absorption features seen in the ISOCAM maps. We find two S-shaped bipolar collimated flows embedded in the NE clump, and propose the two driving sources to be a Class 0 candidate (MMS3) and a double Class I (MMS2). For the Class II population we find a best age of ~2 Myr and compatibility with recent Initial Mass Functions (IMFs) by comparing the observed Class II luminosity function (LF), which is complete to 0.08 L⊙, to various model LFs with different star formation scenarios and input IMFs.

Iterative quantization: a Procrustean approach to learning binary codes for large-scale image retrieval.

PubMed

Gong, Yunchao; Lazebnik, Svetlana; Gordo, Albert; Perronnin, Florent

2013-12-01

This paper addresses the problem of learning similarity-preserving binary codes for efficient similarity search in large-scale image collections. We formulate this problem in terms of finding a rotation of zero-centered data so as to minimize the quantization error of mapping this data to the vertices of a zero-centered binary hypercube, and propose a simple and efficient alternating minimization algorithm to accomplish this task. This algorithm, dubbed iterative quantization (ITQ), has connections to multiclass spectral clustering and to the orthogonal Procrustes problem, and it can be used both with unsupervised data embeddings such as PCA and supervised embeddings such as canonical correlation analysis (CCA). The resulting binary codes significantly outperform several other state-of-the-art methods. We also show that further performance improvements can result from transforming the data with a nonlinear kernel mapping prior to PCA or CCA. Finally, we demonstrate an application of ITQ to learning binary attributes or "classemes" on the ImageNet data set.

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

PubMed

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

2011-09-21

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

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

NASA Astrophysics Data System (ADS)

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

2011-09-01

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

Automated neurovascular tracing and analysis of the knife-edge scanning microscope Rat Nissl data set using a computing cluster.

PubMed

Sungjun Lim; Nowak, Michael R; Yoonsuck Choe

2016-08-01

We present a novel, parallelizable algorithm capable of automatically reconstructing and calculating anatomical statistics of cerebral vascular networks embedded in large volumes of Rat Nissl-stained data. In this paper, we report the results of our method using Rattus somatosensory cortical data acquired using Knife-Edge Scanning Microscopy. Our algorithm performs the reconstruction task with averaged precision, recall, and F2-score of 0.978, 0.892, and 0.902 respectively. Calculated anatomical statistics show some conformance to values previously reported. The results that can be obtained from our method are expected to help explicate the relationship between the structural organization of the microcirculation and normal (and abnormal) cerebral functioning.

Wave scattering from random sets of closely spaced objects through linear embedding via Green's operators

NASA Astrophysics Data System (ADS)

Lancellotti, V.; de Hon, B. P.; Tijhuis, A. G.

2011-08-01

In this paper we present the application of linear embedding via Green's operators (LEGO) to the solution of the electromagnetic scattering from clusters of arbitrary (both conducting and penetrable) bodies randomly placed in a homogeneous background medium. In the LEGO method the objects are enclosed within simple-shaped bricks described in turn via scattering operators of equivalent surface current densities. Such operators have to be computed only once for a given frequency, and hence they can be re-used to perform the study of many distributions comprising the same objects located in different positions. The surface integral equations of LEGO are solved via the Moments Method combined with Adaptive Cross Approximation (to save memory) and Arnoldi basis functions (to compress the system). By means of purposefully selected numerical experiments we discuss the time requirements with respect to the geometry of a given distribution. Besides, we derive an approximate relationship between the (near-field) accuracy of the computed solution and the number of Arnoldi basis functions used to obtain it. This result endows LEGO with a handy practical criterion for both estimating the error and keeping it in check.

Atomistic simulations of the effect of embedded hydrogen and helium on the tensile properties of monocrystalline and nanocrystalline tungsten

NASA Astrophysics Data System (ADS)

Chen, Zhe; Kecskes, Laszlo J.; Zhu, Kaigui; Wei, Qiuming

2016-12-01

Uniaxial tensile properties of monocrystalline tungsten (MC-W) and nanocrystalline tungsten (NC-W) with embedded hydrogen and helium atoms have been investigated using molecular dynamics (MD) simulations in the context of radiation damage evolution. Different strain rates have been imposed to investigate the strain rate sensitivity (SRS) of the samples. Results show that the plastic deformation processes of MC-W and NC-W are dominated by different mechanisms, namely dislocation-based for MC-W and grain boundary-based activities for NC-W, respectively. For MC-W, the SRS increases and a transition appears in the deformation mechanism with increasing embedded atom concentration. However, no obvious embedded atom concentration dependence of the SRS has been observed for NC-W. Instead, in the latter case, the embedded atoms facilitate GB sliding and intergranular fracture. Additionally, a strong strain enhanced He cluster growth has been observed. The corresponding underlying mechanisms are discussed.

Age gradients in the stellar populations of massive star forming regions based on a new stellar chronometer

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

Getman, Konstantin V.; Feigelson, Eric D.; Kuhn, Michael A.

2014-06-01

A major impediment to understanding star formation in massive star-forming regions (MSFRs) is the absence of a reliable stellar chronometer to unravel their complex star formation histories. We present a new estimation of stellar ages using a new method that employs near-infrared (NIR) and X-ray photometry, Age {sub JX} . Stellar masses are derived from X-ray luminosities using the L{sub X} -M relation from the Taurus cloud. J-band luminosities are compared to mass-dependent pre-main-sequence (PMS) evolutionary models to estimate ages. Age {sub JX} is sensitive to a wide range of evolutionary stages, from disk-bearing stars embedded in a cloud tomore » widely dispersed older PMS stars. The Massive Young Star-Forming Complex Study in Infrared and X-ray (MYStIX) project characterizes 20 OB-dominated MSFRs using X-ray, mid-infrared, and NIR catalogs. The Age {sub JX} method has been applied to 5525 out of 31,784 MYStIX Probable Complex Members. We provide a homogeneous set of median ages for over 100 subclusters in 15 MSFRs; median subcluster ages range between 0.5 Myr and 5 Myr. The important science result is the discovery of age gradients across MYStIX regions. The wide MSFR age distribution appears as spatially segregated structures with different ages. The Age {sub JX} ages are youngest in obscured locations in molecular clouds, intermediate in revealed stellar clusters, and oldest in distributed populations. The NIR color index J – H, a surrogate measure of extinction, can serve as an approximate age predictor for young embedded clusters.« less

The Lifetimes of Phases in High-mass Star-forming Regions

NASA Astrophysics Data System (ADS)

Battersby, Cara; Bally, John; Svoboda, Brian

2017-02-01

High-mass stars form within star clusters from dense, molecular regions (DMRs), but is the process of cluster formation slow and hydrostatic or quick and dynamic? We link the physical properties of high-mass star-forming regions with their evolutionary stage in a systematic way, using Herschel and Spitzer data. In order to produce a robust estimate of the relative lifetimes of these regions, we compare the fraction of DMRs above a column density associated with high-mass star formation, N(H2) > 0.4-2.5 × 1022 cm-2, in the “starless” (no signature of stars ≳10 {M}⊙ forming) and star-forming phases in a 2° × 2° region of the Galactic Plane centered at ℓ = 30°. Of regions capable of forming high-mass stars on ˜1 pc scales, the starless (or embedded beyond detection) phase occupies about 60%-70% of the DMR lifetime, and the star-forming phase occupies about 30%-40%. These relative lifetimes are robust over a wide range of thresholds. We outline a method by which relative lifetimes can be anchored to absolute lifetimes from large-scale surveys of methanol masers and UCHII regions. A simplistic application of this method estimates the absolute lifetime of the starless phase to be 0.2-1.7 Myr (about 0.6-4.1 fiducial cloud free-fall times) and the star-forming phase to be 0.1-0.7 Myr (about 0.4-2.4 free-fall times), but these are highly uncertain. This work uniquely investigates the star-forming nature of high column density gas pixel by pixel, and our results demonstrate that the majority of high column density gas is in a starless or embedded phase.

The Low Mass IMF in Young Open Clusters

NASA Astrophysics Data System (ADS)

Williams, Douglas M.

1995-01-01

We present the results of the investigation of the Initial Mass Function at the end of the Main Sequence in young open clusters. We find that over a large range in age and environment the IMFs are similar to each other, and to recent determinations of the field star IMF. We have obtained V, I, and K band photometry of fields in the three relatively unembedded open clusters. The photometry reaches down to various masses in each cluster: 0.08{cal M}_⊙ for Praesepe, 0.04{cal M}odot for the Pleiades, and 0.15{cal M}_⊙ for NGC 7160. We compare the methods for estimating the masses of young, embedded stars developed by Comeron et al. (1993 - CRBR) and by Strom, Kepner, & Strom (1995) and show them to be in good agreement. Spectra in the 2 mu m region of six low mass objects from CRBR are also in agreement with the mass estimates using these methods. The spectrum of a brown dwarf candidate is used to place an upper limit on its mass of 60% of the minimum required for hydrogen burning. The IMFs from these four clusters plus NGC 2024 are shown to be in agreement with each other. The composite MF can be fitted with a power law between 0.04 and 0.5 {cal M}_⊙ with a slope of -0.75 +/- 0.3. There is no evidence for a cutoff at the bottom of the main sequence (0.08{cal M}odot); brown dwarfs appear to be abundant in open clusters. However, the slope of the MF is well above the value of _sp {~}<-2 required for very low mass stars and brown dwarfs to contribute a significant portion of the mass of open clusters. The composite cluster MF also is in agreement with recent determinations of the field star IMF for stellar masses. The field star data do not extend into the brown dwarf range; however, if we extrapolate in accordance with the cluster MF, we conclude that brown dwarfs probably do not contribute significantly to the dark matter.

Merging black holes in non-spherical nuclear star clusters

NASA Astrophysics Data System (ADS)

Petrovich, Cristobal

2018-04-01

The Milky Way and a significant fraction of galaxies are observed to host a central Massive Black Hole (MBH) embedded in a non-spherical nuclear star cluster. I will discuss the orbital evolution of stellar binaries in these environments and argue that their merger rates are expected to be greatly enhanced when the effect from cluster potential is taken into account in the binary-MBH triple system. I will apply our results to compact-object binary mergers mediated by gravitational wave radiation and show that this merger channel can contribute significantly to the LIGO/Virgo detections.

A new route to gold nanoflowers

NASA Astrophysics Data System (ADS)

Liebig, Ferenc; Henning, Ricky; Sarhan, Radwan M.; Prietzel, Claudia; Bargheer, Matias; Koetz, Joachim

2018-05-01

Catanionic vesicles spontaneously formed by mixing the anionic surfactant bis(2-ethylhexyl) sulfosuccinate sodium salt with the cationic surfactant cetyltrimethylammonium bromide were used as a reducing medium to produce gold clusters, which are embedded and well-ordered into the template phase. The gold clusters can be used as seeds in the growth process that follows by adding ascorbic acid as a mild reducing component. When the ascorbic acid was added very slowly in an ice bath round-edged gold nanoflowers were produced. When the same experiments were performed at room temperature in the presence of Ag+ ions, sharp-edged nanoflowers could be synthesized. The mechanism of nanoparticle formation can be understood to be a non-diffusion-limited Ostwald ripening process of preordered gold nanoparticles embedded in catanionic vesicle fragments. Surface-enhanced Raman scattering experiments show an excellent enhancement factor of 1.7 · 105 for the nanoflowers deposited on a silicon wafer.

Estimation of Energy Expenditure Using a Patch-Type Sensor Module with an Incremental Radial Basis Function Neural Network

PubMed Central

Li, Meina; Kwak, Keun-Chang; Kim, Youn Tae

2016-01-01

Conventionally, indirect calorimetry has been used to estimate oxygen consumption in an effort to accurately measure human body energy expenditure. However, calorimetry requires the subject to wear a mask that is neither convenient nor comfortable. The purpose of our study is to develop a patch-type sensor module with an embedded incremental radial basis function neural network (RBFNN) for estimating the energy expenditure. The sensor module contains one ECG electrode and a three-axis accelerometer, and can perform real-time heart rate (HR) and movement index (MI) monitoring. The embedded incremental network includes linear regression (LR) and RBFNN based on context-based fuzzy c-means (CFCM) clustering. This incremental network is constructed by building a collection of information granules through CFCM clustering that is guided by the distribution of error of the linear part of the LR model. PMID:27669249

Learning linear transformations between counting-based and prediction-based word embeddings

PubMed Central

Hayashi, Kohei; Kawarabayashi, Ken-ichi

2017-01-01

Despite the growing interest in prediction-based word embedding learning methods, it remains unclear as to how the vector spaces learnt by the prediction-based methods differ from that of the counting-based methods, or whether one can be transformed into the other. To study the relationship between counting-based and prediction-based embeddings, we propose a method for learning a linear transformation between two given sets of word embeddings. Our proposal contributes to the word embedding learning research in three ways: (a) we propose an efficient method to learn a linear transformation between two sets of word embeddings, (b) using the transformation learnt in (a), we empirically show that it is possible to predict distributed word embeddings for novel unseen words, and (c) empirically it is possible to linearly transform counting-based embeddings to prediction-based embeddings, for frequent words, different POS categories, and varying degrees of ambiguities. PMID:28926629

Dark energy domination in the Virgocentric flow

NASA Astrophysics Data System (ADS)

Chernin, A. D.; Karachentsev, I. D.; Nasonova, O. G.; Teerikorpi, P.; Valtonen, M. J.; Dolgachev, V. P.; Domozhilova, L. M.; Byrd, G. G.

2010-09-01

Context. The standard ΛCDM cosmological model implies that all celestial bodies are embedded in a perfectly uniform dark energy background, represented by Einstein's cosmological constant, and experience its repulsive antigravity action. Aims: Can dark energy have strong dynamical effects on small cosmic scales as well as globally? Continuing our efforts to clarify this question, we now focus on the Virgo Cluster and the flow of expansion around it. Methods: We interpret the Hubble diagram from a new database of velocities and distances of galaxies in the cluster and its environment, using a nonlinear analytical model, which incorporates the antigravity force in terms of Newtonian mechanics. The key parameter is the zero-gravity radius, the distance at which gravity and antigravity are in balance. Results: 1. The interplay between the gravity of the cluster and the antigravity of the dark energy background determines the kinematical structure of the system and controls its evolution. 2. The gravity dominates the quasi-stationary bound cluster, while the antigravity controls the Virgocentric flow, bringing order and regularity to the flow, which reaches linearity and the global Hubble rate at distances ⪆15 Mpc. 3. The cluster and the flow form a system similar to the Local Group and its outflow. In the velocity-distance diagram, the cluster-flow structure reproduces the group-flow structure with a scaling factor of about 10; the zero-gravity radius for the cluster system is also 10 times larger. Conclusions: The phase and dynamical similarity of the systems on the scales of 1-30 Mpc suggests that a two-component pattern may be universal for groups and clusters: a quasi-stationary bound central component and an expanding outflow around it, caused by the nonlinear gravity-antigravity interplay with the dark energy dominating in the flow component.

Filtering large-scale event collections using a combination of supervised and unsupervised learning for event trigger classification.

PubMed

Mehryary, Farrokh; Kaewphan, Suwisa; Hakala, Kai; Ginter, Filip

2016-01-01

Biomedical event extraction is one of the key tasks in biomedical text mining, supporting various applications such as database curation and hypothesis generation. Several systems, some of which have been applied at a large scale, have been introduced to solve this task. Past studies have shown that the identification of the phrases describing biological processes, also known as trigger detection, is a crucial part of event extraction, and notable overall performance gains can be obtained by solely focusing on this sub-task. In this paper we propose a novel approach for filtering falsely identified triggers from large-scale event databases, thus improving the quality of knowledge extraction. Our method relies on state-of-the-art word embeddings, event statistics gathered from the whole biomedical literature, and both supervised and unsupervised machine learning techniques. We focus on EVEX, an event database covering the whole PubMed and PubMed Central Open Access literature containing more than 40 million extracted events. The top most frequent EVEX trigger words are hierarchically clustered, and the resulting cluster tree is pruned to identify words that can never act as triggers regardless of their context. For rarely occurring trigger words we introduce a supervised approach trained on the combination of trigger word classification produced by the unsupervised clustering method and manual annotation. The method is evaluated on the official test set of BioNLP Shared Task on Event Extraction. The evaluation shows that the method can be used to improve the performance of the state-of-the-art event extraction systems. This successful effort also translates into removing 1,338,075 of potentially incorrect events from EVEX, thus greatly improving the quality of the data. The method is not solely bound to the EVEX resource and can be thus used to improve the quality of any event extraction system or database. The data and source code for this work are available at: http://bionlp-www.utu.fi/trigger-clustering/.

IMPROVEMENTS IN EPOXY RESIN EMBEDDING METHODS

PubMed Central

Luft, John H.

1961-01-01

Epoxy embedding methods of Glauert and Kushida have been modified so as to yield rapid, reproducible, and convenient embedding methods for electron microscopy. The sections are robust and tissue damage is less than with methacrylate embedding. PMID:13764136

The New 30 Doradus

NASA Astrophysics Data System (ADS)

Walborn, N. R.; Barbá, R. H.

A groundbased, blue-violet spectral classification study of the 30 Doradus stellar content has revealed five spatially and/or temporally distinct components: (1) the central ionizing cluster including R136 (corresponding to the Carina phase of OB cluster evolution with an age of 2-3 Myr); (2) a younger generation in or near the bright nebular filaments west and northeast of R136, containing heavily embedded early-O dwarfs and IR sources, the formation of which was likely triggered by the central cluster (Orion phase, <1 Myr); (3) an older population of late-O and early-B supergiants throughout the central field whose structural relationship, if any, to the younger groups is unclear (Scorpius OB1 phase, 4-6 Myr); (4) a previously known, older still compact cluster 3' northwest of R136, containing A and M supergiants and evidently affecting the nebular dynamics substantially (h and chi Persei phase, 10 Myr); and (5) a newly recognized Sco OB1-phase association surrounding the recently discovered Luminous Blue Variable R143 in the southern part of the Nebula. Evidently, star formation has occurred in discrete events at different epochs in 30 Dor, and there are clear implications for the interpretation of more distant starbursts. This presentation emphasizes the second component above, a new stellar generation currently being formed in 30 Doradus. Groundbased IR images by Rubio et al. and H2 observations by Probst and Rubio show many sources, with detailed relationships to the embedded optical O stars as well as to the nebular microstructures visible in HST/WFPC2 images. Recent observations of these fields with HST/NICMOS reveal an even greater wealth of structural detail, including compact IR multiple systems and clusters, and probable jets associated with two of the embedded early-O systems; one of the latter may also be related to an H2O maser source. These and future IR data will provide new insights into the evolution of starbursts on the scale of 30 Doradus, as well as the early evolution of individual massive stars and compact groups.

Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.

PubMed

Sinha, Debalina; Pavanello, Michele

2015-08-28

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.

Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method

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

Sinha, Debalina; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu

2015-08-28

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term themore » Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.« less

HIGH-ENERGY NEUTRINOS FROM SOURCES IN CLUSTERS OF GALAXIES

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

Fang, Ke; Olinto, Angela V.

2016-09-01

High-energy cosmic rays can be accelerated in clusters of galaxies, by mega-parsec scale shocks induced by the accretion of gas during the formation of large-scale structures, or by powerful sources harbored in clusters. Once accelerated, the highest energy particles leave the cluster via almost rectilinear trajectories, while lower energy ones can be confined by the cluster magnetic field up to cosmological time and interact with the intracluster gas. Using a realistic model of the baryon distribution and the turbulent magnetic field in clusters, we studied the propagation and hadronic interaction of high-energy protons in the intracluster medium. We report themore » cumulative cosmic-ray and neutrino spectra generated by galaxy clusters, including embedded sources, and demonstrate that clusters can contribute a significant fraction of the observed IceCube neutrinos above 30 TeV while remaining undetected in high-energy cosmic rays and γ rays for reasonable choices of parameters and source scenarios.« less

The embedded population around Herbig Ae/Be stars

NASA Astrophysics Data System (ADS)

Testi, L.; Stanga, R. M.; Natta, A.; Palla, F.; Prusti, T.; Baffa, C.; Hunt, L. K.; Lisi, F.

Herbig Ae/Be stars are intermediate mass young stars in the pre-main sequence phase of evolution. There are only few stars of this type known so far, and all of them seem to be relatively isolated, in contrast to their low mass counterparts, the T Tauri stars. A possible explanation of this fact is that other young stars formed near the known YSO are deeply embedded in the molecular cloud environment and are not detectable at optical wavelengths. We used the new ARcetri Near Infrared CAmera (ARNICA) to survey in the J, H and K bands the regions of sky around Herbig stars. The aim of this work is to identify embedded YSO and investigate the clustering properties of these young stars.

Self-consistent calculations for the electronic structure of a vacancy in copper. A solution of the embedding problem

NASA Astrophysics Data System (ADS)

Zeller, R.; Braspenning, P. J.

1982-06-01

The charge density and the local density of states for a vacancy in Cu and for the first shell of Cu neighbours are calculated by the KKR-Green's function technique. The muffin-tin potentials for the vacancy and the neighbour shell atoms are determined self-consistently in the local density approximation of density functional theory. By the use of the proper host Green's function the embedding of this cluster of 13 perturbed muffin-tins into the infinite array of bulk Cu muffin-tin potentials is described rigorously, thus representing a solution of the embedding problem. The calculations demonstrate a rather large charge transfer of 1.1 electrons from the first neighbour shell to the vacancy.

The star-forming complex LMC-N79 as a future rival to 30 Doradus

NASA Astrophysics Data System (ADS)

Ochsendorf, Bram B.; Zinnecker, Hans; Nayak, Omnarayani; Bally, John; Meixner, Margaret; Jones, Olivia C.; Indebetouw, Remy; Rahman, Mubdi

2017-11-01

Within the early Universe, `extreme' star formation may have been the norm rather than the exception1,2. Super star clusters (with masses greater than 105 solar masses) are thought to be the modern-day analogues of globular clusters, relics of a cosmic time (redshift z ≳ 2) when the Universe was filled with vigorously star-forming systems3. The giant H ii region 30 Doradus in the Large Magellanic Cloud is often regarded as a benchmark for studies of extreme star formation4. Here, we report the discovery of a massive embedded star-forming complex spanning about 500 pc in the unexplored southwest region of the Large Magellanic Cloud, which manifests itself as a younger, embedded twin of 30 Doradus. Previously known as N79, this region has a star-formation efficiency greater than that of 30 Doradus, by a factor of about 2, as measured over the past 0.5 Myr. Moreover, at the heart of N79 lies the most luminous infrared compact source discovered with large-scale infrared surveys of the Large Magellanic Cloud and Milky Way, possibly a precursor to the central super star cluster of 30 Doradus, R136. The discovery of a nearby candidate super star cluster may provide invaluable information to understand how extreme star formation proceeds in the current and high-redshift Universe.

Large Magnetovolume Effect Induced by Embedding Ferromagnetic Clusters into Antiferromagnetic Matrix of Cobaltite Perovskite.

PubMed

Miao, Ping; Lin, Xiaohuan; Koda, Akihiro; Lee, Sanghyun; Ishikawa, Yoshihisa; Torii, Shuki; Yonemura, Masao; Mochiku, Takashi; Sagayama, Hajime; Itoh, Shinichi; Ikeda, Kazutaka; Otomo, Toshiya; Wang, Yinxia; Kadono, Ryosuke; Kamiyama, Takashi

2017-07-01

Materials that show negative thermal expansion (NTE) have significant industrial merit because they can be used to fabricate composites whose dimensions remain invariant upon heating. In some materials, NTE is concomitant with the spontaneous magnetization due to the magnetovolume effect (MVE). Here the authors report a new class of MVE material; namely, a layered perovskite PrBaCo 2 O 5.5+ x (0 ≤ x ≤ 0.41), in which strong NTE [β ≈ -3.6 × 10 -5 K -1 (90-110 K) at x = 0.24] is triggered by embedding ferromagnetic (F) clusters into the antiferromagnetic (AF) matrix. The strongest MVE is found near the boundary between F and AF phases in the phase diagram, indicating the essential role of competition between the F-clusters and the AF-matrix. Furthermore, the MVE is not limited to the PrBaCo 2 O 5.5+ x but is also observed in the NdBaCo 2 O 5.5+ x . The present study provides a new approach to obtaining MVE and offers a path to the design of NTE materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fermat's least-time principle and the embedded transparent lens

NASA Astrophysics Data System (ADS)

Kantowski, R.; Chen, B.; Dai, X.

2013-10-01

We present a simplified version of the lowest-order embedded point mass gravitational lens theory and then make the extension of this theory to any embedded transparent lens. Embedding a lens effectively reduces the gravitational potential’s range, i.e., partially shields the lensing potential because the lens mass is made a contributor to the mean mass density of the Universe and not simply superimposed upon it. We give the time-delay function for the embedded point mass lens from which we can derive the simplified lens equation by applying Fermat’s least-time principle. Even though rigorous derivations are only made for the point mass in a flat background, the generalization of the lens equation to lowest order for any distributed lens in any homogeneous background is obvious. We find from this simplified theory that embedding can introduce corrections above the few percent level in weak lensing shears caused by large clusters but only at large impacts. The potential part of the time delay is also affected in strong lensing at the few percent level. Additionally we again confirm that the presence of a cosmological constant alters the gravitational deflection of passing photons.

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

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

PubMed

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

2015-09-14

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

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2 – 28 Clusters

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

Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Mark A.

In this Article, we review the role of gas-phase, size-selected protonated water clusters, H+(H2O)n, in the analysis of the microscopic mechanics responsible for the behavior of the excess proton in bulk water. We extend upon previous studies of the smaller, two-dimensional sheet-like structures to larger (n≥10) assemblies with three-dimensional cage morphologies which better mimic the bulk environment. Indeed, clusters in which a complete second solvation shell forms around a surface-embedded hydronium ion yield vibrational spectra where the signatures of the proton defect display strikingly similar positions and breadth to those observed in dilute acids. We investigate effects of the localmore » structure and intermolecular interactions on the large red shifts observed in the proton vibrational signature upon cluster growth using various theoretical methods. We show that, in addition to sizeable anharmonic couplings, the position of the excess proton vibration can be traced to large increases in the electric field exerted on the embedded hydronium ion upon formation of the first and second solvation shells. MAJ acknowledges support from the U.S. Department of Energy under Grant No. DE-FG02- 06ER15800 as well as the facilities and staff of the Yale University Faculty of Arts and Sciences High Performance Computing Center, and by the National Science Foundation under Grant No. CNS 08-21132 that partially funded acquisition of the facilities. SMK and SSX acknowledge support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.« less

Tracing the Arms of our Milky Way Galaxy

NASA Image and Video Library

2015-06-03

Astronomers using data from NASA's Wide-field Infrared Survey Explorer, or WISE, are helping to trace the shape of our Milky Way galaxy's spiral arms. This illustration shows where WISE data revealed clusters of young stars shrouded in dust, called embedded clusters, which are known to reside in spiral arms. The bars represent uncertainties in the data. The nearly 100 clusters shown here were found in the arms called Perseus, Sagittarius-Carina, and Outer -- three of the galaxy's four proposed primary arms. Our sun resides in a spur to an arm, or a minor arm, called Orion Cygnus. http://photojournal.jpl.nasa.gov/catalog/PIA19341

Dark energy and key physical parameters of clusters of galaxies

NASA Astrophysics Data System (ADS)

Bisnovatyi-Kogan, G. S.; Chernin, A. D.

2012-04-01

We study physics of clusters of galaxies embedded in the cosmic dark energy background. Under the assumption that dark energy is described by the cosmological constant, we show that the dynamical effects of dark energy are strong in clusters like the Virgo cluster. Specifically, the key physical parameters of the dark mater halos in clusters are determined by dark energy: (1) the halo cut-off radius is practically, if not exactly, equal to the zero-gravity radius at which the dark matter gravity is balanced by the dark energy antigravity; (2) the halo averaged density is equal to two densities of dark energy; (3) the halo edge (cut-off) density is the dark energy density with a numerical factor of the unity order slightly depending on the halo profile. The cluster gravitational potential well in which the particles of the dark halo (as well as galaxies and intracluster plasma) move is strongly affected by dark energy: the maximum of the potential is located at the zero-gravity radius of the cluster.

Community detection in complex networks using deep auto-encoded extreme learning machine

NASA Astrophysics Data System (ADS)

Wang, Feifan; Zhang, Baihai; Chai, Senchun; Xia, Yuanqing

2018-06-01

Community detection has long been a fascinating topic in complex networks since the community structure usually unveils valuable information of interest. The prevalence and evolution of deep learning and neural networks have been pushing forward the advancement in various research fields and also provide us numerous useful and off the shelf techniques. In this paper, we put the cascaded stacked autoencoders and the unsupervised extreme learning machine (ELM) together in a two-level embedding process and propose a novel community detection algorithm. Extensive comparison experiments in circumstances of both synthetic and real-world networks manifest the advantages of the proposed algorithm. On one hand, it outperforms the k-means clustering in terms of the accuracy and stability thus benefiting from the determinate dimensions of the ELM block and the integration of sparsity restrictions. On the other hand, it endures smaller complexity than the spectral clustering method on account of the shrinkage in time spent on the eigenvalue decomposition procedure.

Mapping out the origins of compact stellar systems

NASA Astrophysics Data System (ADS)

Romanowsky, Aaron J.; Brodie, Jean P.; SAGES Collaboration

2017-03-01

We present a suite of extragalactic explorations of the origins and nature of globular clusters (GCs) and ultra-compact dwarfs (UCDs), and the connections between them. An example of GC metallicity bimodality is shown to reflect underlying, distinct metal-poor and metal-rich stellar halo populations. Metallicity-matching methods are used to trace the birth sites and epochs of GCs in giant E/S0s, pointing to clumpy disk galaxies at z ~ 3 for the metal-rich GCs, and to a combination of accreted and in-situ formation modes at z ~ 5-6 for the metal-poor GCs. An increasingly diverse zoo of compact stellar systems is being discovered, including objects that bridge the gaps between UCDs and faint fuzzies, and between UCDs and compact ellipticals. Many of these have properties pointing to origins as the stripped nuclei of larger galaxies, and a smoking-gun example is presented of an ω Cen-like star cluster embedded in a tidal stream.

Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)

NASA Astrophysics Data System (ADS)

Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido

2018-04-01

Corrosion of stainless steels by lead-bismuth eutectic (LBE) is an important problem which depends, amongst other things, on the diffusion of the steel components inside this liquid alloy. Here we present the results of classical molecular dynamics simulations of the diffusion of Fe and Ni within LBE. The simulations complement experimental studies of impurity diffusion by our group and provide an atomic-level understanding of the relevant diffusion phenomena. They are based on the embedded atom method (EAM) to represent many-body interactions among atoms. The EAM potentials employed in our simulations have been validated against ab initio density functional calculations. We show that the experimental and simulation results for the temperature-dependent viscosity of LBE and the impurity diffusion coefficients can be reconciled by assuming that the Ni and Fe diffuse mainly as nanoscopic clusters below 1300 K. The average Fe and Ni cluster sizes decrease with increasing the temperature and there is essentially single-atom diffusion at higher temperatures.

DICON: interactive visual analysis of multidimensional clusters.

PubMed

Cao, Nan; Gotz, David; Sun, Jimeng; Qu, Huamin

2011-12-01

Clustering as a fundamental data analysis technique has been widely used in many analytic applications. However, it is often difficult for users to understand and evaluate multidimensional clustering results, especially the quality of clusters and their semantics. For large and complex data, high-level statistical information about the clusters is often needed for users to evaluate cluster quality while a detailed display of multidimensional attributes of the data is necessary to understand the meaning of clusters. In this paper, we introduce DICON, an icon-based cluster visualization that embeds statistical information into a multi-attribute display to facilitate cluster interpretation, evaluation, and comparison. We design a treemap-like icon to represent a multidimensional cluster, and the quality of the cluster can be conveniently evaluated with the embedded statistical information. We further develop a novel layout algorithm which can generate similar icons for similar clusters, making comparisons of clusters easier. User interaction and clutter reduction are integrated into the system to help users more effectively analyze and refine clustering results for large datasets. We demonstrate the power of DICON through a user study and a case study in the healthcare domain. Our evaluation shows the benefits of the technique, especially in support of complex multidimensional cluster analysis. © 2011 IEEE

Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3

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

Bagus, Paul S.; Nelin, Connie J.; Sassi, Michel

Cluster models of condensed systems are often used to simulate the core-level spectra obtained with X-ray Photoelectron Spectroscopy, XPS, or with X-ray Absorption Spectroscopy, XAS, especially for near edge features.

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

Ellis, D.E.; Gubanov, V.A.; Rosen, A.

The electronic structure of actinide monoxides AcO and dioxides AcO/sub 2/, where Ac = Th, U, Np, Pu, Am, Cm and Bk has been studied by molecular cluster methods based on the first-principles one-electron local density theory. Molecular orbitals for nearest neighbor clusters AcO/sup 10 -//sub 6/ and AcO/sup 12 -//sub 8/ representative of monoxide and dioxide lattices were obtained using non-relativistic spin-restricted and spin-polarized Hartree-Fock-Slater models for the entire series. Fully relativistic Dirac-Slater calculations were performed for ThO, UO and NpO in order to explore magnitude of spin-orbit splittings and level shifts in valence structure. Self-consistent iterations were carriedmore » out for NpO, in which the NpO/sub 6/ cluster was embedded in the molecular field of the solid. Finally, a ''moment polarized'' model which combines both spin-polarization and relativistic effects in a consistent fashion was applied to the NpO system. Covalent mixing of oxygen 2p and Ac 5f orbitals was found to increase rapidly across the actinide series; metal s,p,d covalency was found to be nearly constant. Mulliken atomic population analysis of cluster eigenvectors shows that free-ion crystal field models are unreliable, except for the light actinides. X-ray photoelectron line shapes have been calculated and are found to compare rather well with experimental data on the dioxides.« less

Embedded-Based Graphics Processing Unit Cluster Platform for Multiple Sequence Alignments

PubMed Central

Wei, Jyh-Da; Cheng, Hui-Jun; Lin, Chun-Yuan; Ye, Jin; Yeh, Kuan-Yu

2017-01-01

High-end graphics processing units (GPUs), such as NVIDIA Tesla/Fermi/Kepler series cards with thousands of cores per chip, are widely applied to high-performance computing fields in a decade. These desktop GPU cards should be installed in personal computers/servers with desktop CPUs, and the cost and power consumption of constructing a GPU cluster platform are very high. In recent years, NVIDIA releases an embedded board, called Jetson Tegra K1 (TK1), which contains 4 ARM Cortex-A15 CPUs and 192 Compute Unified Device Architecture cores (belong to Kepler GPUs). Jetson Tegra K1 has several advantages, such as the low cost, low power consumption, and high applicability, and it has been applied into several specific applications. In our previous work, a bioinformatics platform with a single TK1 (STK platform) was constructed, and this previous work is also used to prove that the Web and mobile services can be implemented in the STK platform with a good cost-performance ratio by comparing a STK platform with the desktop CPU and GPU. In this work, an embedded-based GPU cluster platform will be constructed with multiple TK1s (MTK platform). Complex system installation and setup are necessary procedures at first. Then, 2 job assignment modes are designed for the MTK platform to provide services for users. Finally, ClustalW v2.0.11 and ClustalWtk will be ported to the MTK platform. The experimental results showed that the speedup ratios achieved 5.5 and 4.8 times for ClustalW v2.0.11 and ClustalWtk, respectively, by comparing 6 TK1s with a single TK1. The MTK platform is proven to be useful for multiple sequence alignments. PMID:28835734

Embedded-Based Graphics Processing Unit Cluster Platform for Multiple Sequence Alignments.

PubMed

Wei, Jyh-Da; Cheng, Hui-Jun; Lin, Chun-Yuan; Ye, Jin; Yeh, Kuan-Yu

2017-01-01

High-end graphics processing units (GPUs), such as NVIDIA Tesla/Fermi/Kepler series cards with thousands of cores per chip, are widely applied to high-performance computing fields in a decade. These desktop GPU cards should be installed in personal computers/servers with desktop CPUs, and the cost and power consumption of constructing a GPU cluster platform are very high. In recent years, NVIDIA releases an embedded board, called Jetson Tegra K1 (TK1), which contains 4 ARM Cortex-A15 CPUs and 192 Compute Unified Device Architecture cores (belong to Kepler GPUs). Jetson Tegra K1 has several advantages, such as the low cost, low power consumption, and high applicability, and it has been applied into several specific applications. In our previous work, a bioinformatics platform with a single TK1 (STK platform) was constructed, and this previous work is also used to prove that the Web and mobile services can be implemented in the STK platform with a good cost-performance ratio by comparing a STK platform with the desktop CPU and GPU. In this work, an embedded-based GPU cluster platform will be constructed with multiple TK1s (MTK platform). Complex system installation and setup are necessary procedures at first. Then, 2 job assignment modes are designed for the MTK platform to provide services for users. Finally, ClustalW v2.0.11 and ClustalWtk will be ported to the MTK platform. The experimental results showed that the speedup ratios achieved 5.5 and 4.8 times for ClustalW v2.0.11 and ClustalWtk, respectively, by comparing 6 TK1s with a single TK1. The MTK platform is proven to be useful for multiple sequence alignments.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-03-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100- x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-06-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodroplets

NASA Astrophysics Data System (ADS)

Leicht, Daniel; Kaufmann, Matin; Pal, Nitish; Schwaab, Gerhard; Havenith, Martina

2017-03-01

The infrared spectrum of allyl:water clusters embedded in helium nanodroplets was recorded. Allyl radicals were produced by flash vacuum pyrolysis and trapped in helium droplets. Deuterated water was added to the doped droplets, and the infrared spectrum of the radical water aggregates was recorded in the frequency range 2570-2820 cm-1. Several absorption bands are observed and assigned to 1:1 and 1:2 allyl:D2O clusters, based on pressure dependent measurements and accompanying quantum chemical calculations. The analysis of the 1:1 cluster spectrum revealed a tunneling splitting as well as a combination band. For the 1:2 cluster, we observe a water dimer-like motif that is bound by one π-hydrogen bond to the allyl radical.

Functionalizing graphene by embedded boron clusters

NASA Astrophysics Data System (ADS)

Quandt, Alexander; Kunstmann, Jens; Ozdogan, Cem; Fehske, Holger

2010-03-01

We present results from an ab initio study of B7 clusters implanted into graphene [1,2]. Our model system consists of an alternating chain of quasiplanar B7 clusters. We show that graphene easily accepts these alternating B7-C6 chains and that the implanted boron components may dramatically modify the electronic properties. This suggests that our model system might serve as a blueprint for the controlled layout of graphene based nanodevices, where the semiconducting properties are supplemented by parts of the graphene matrix itself, and the basic metallic wiring is provided by alternating chains of implanted boron clusters. [1] A. Quandt, C. "Ozdogan, J. Kunstmann, and H. Fehske, Nanotechnology 19, 335707 (2008). [2] A. Quandt, C. "Ozdogan, J. Kunstmann, and H. Fehske, phys. stat. solidi (b) 245, 2077 (2008).

Growth of polymer-metal nanocomposites by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Röder, Johanna; Faupel, Jörg; Krebs, Hans-Ulrich

2008-12-01

Complex polymer-metal nanocomposites have a wide range of applications, e.g. as flexible displays and packaging materials. Pulsed laser deposition was applied to form nanostructured materials consisting of metal clusters (Ag, Au, Pd and Cu) embedded in a polymer (polycarbonate, PC) matrix. The size and amount of the metal clusters are controlled by the number of laser pulses hitting the respective targets. For Cu and Pd, smaller clusters and higher cluster densities are obtained as in the cases of Ag and Au due to a stronger reactivity with the polymers and thus a lower diffusivity. Implantation effects, differences in metal diffusivity and reactivity on the polymer surfaces, and the coalescence properties are discussed with respect to the observed microstructures on PC and compared to the metal growth on poly (methyl methacrylate), PMMA.

Optimal control of the strong-field ionization of silver clusters in helium droplets

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

Truong, N. X.; Goede, S.; Przystawik, A.

Optimal control techniques combined with femtosecond laser pulse shaping are applied to steer and enhance the strong-field induced emission of highly charged atomic ions from silver clusters embedded in helium nanodroplets. With light fields shaped in amplitude and phase we observe a substantial increase of the Ag{sup q+} yield for q>10 when compared to bandwidth-limited and optimally stretched pulses. A remarkably simple double-pulse structure, containing a low-intensity prepulse and a stronger main pulse, turns out to produce the highest atomic charge states up to Ag{sup 20+}. A negative chirp during the main pulse hints at dynamic frequency locking to themore » cluster plasmon. A numerical optimal control study on pure silver clusters with a nanoplasma model converges to a similar pulse structure and corroborates that the optimal light field adapts to the resonant excitation of cluster surface plasmons for efficient ionization.« less

Chromium: A Stress-Processing Framework for Interactive Rendering on Clusters

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

Humphreys, G,; Houston, M.; Ng, Y.-R.

2002-01-11

We describe Chromium, a system for manipulating streams of graphics API commands on clusters of workstations. Chromium's stream filters can be arranged to create sort-first and sort-last parallel graphics architectures that, in many cases, support the same applications while using only commodity graphics accelerators. In addition, these stream filters can be extended programmatically, allowing the user to customize the stream transformations performed by nodes in a cluster. Because our stream processing mechanism is completely general, any cluster-parallel rendering algorithm can be either implemented on top of or embedded in Chromium. In this paper, we give examples of real-world applications thatmore » use Chromium to achieve good scalability on clusters of workstations, and describe other potential uses of this stream processing technology. By completely abstracting the underlying graphics architecture, network topology, and API command processing semantics, we allow a variety of applications to run in different environments.« less

The split in the ancient cold front in the Perseus cluster

NASA Astrophysics Data System (ADS)

Walker, Stephen A.; ZuHone, John; Fabian, Andy; Sanders, Jeremy

2018-04-01

Sloshing cold fronts in clusters, produced as the dense cluster core moves around in the cluster potential in response to in-falling subgroups, provide a powerful probe of the physics of the intracluster medium and the magnetic fields permeating it1,2. These sharp discontinuities in density and temperature rise gradually outwards with age in a characteristic spiral pattern, embedding into the intracluster medium a record of the minor merging activity of clusters: the further from the cluster centre a cold front is, the older it is. Recently, it was discovered that these cold fronts can survive out to extremely large radii in the Perseus cluster3. Here, we report on high-spatial-resolution Chandra observations of the large-scale cold front in Perseus. We find that rather than broadening through diffusion, the cold front remains extremely sharp (consistent with abrupt jumps in density) and instead is split into two sharp edges. These results show that magnetic draping can suppress diffusion for vast periods of time—around 5 Gyr—even as the cold front expands out to nearly half the cluster virial radius.

Calculating hyperfine couplings in large ionic crystals containing hundreds of QM atoms: subsystem DFT is the key.

PubMed

Kevorkyants, Ruslan; Wang, Xiqiao; Close, David M; Pavanello, Michele

2013-11-14

We present an application of the linear scaling frozen density embedding (FDE) formulation of subsystem DFT to the calculation of isotropic hyperfine coupling constants (hfcc's) of atoms belonging to a guanine radical cation embedded in a guanine hydrochloride monohydrate crystal. The model systems range from an isolated guanine to a 15,000 atom QM/MM cluster where the QM region is comprised of 36 protonated guanine cations, 36 chlorine anions, and 42 water molecules. Our calculations show that the embedding effects of the surrounding crystal cannot be reproduced by small model systems nor by a pure QM/MM procedure. Instead, a large QM region is needed to fully capture the complicated nature of the embedding effects in this system. The unprecedented system size for a relativistic all-electron isotropic hfcc calculation can be approached in this work because the local nature of the electronic structure of the organic crystals considered is fully captured by the FDE approach.

Photometric and spectroscopic study of low mass embedded star clusters in reflection nebulae

NASA Astrophysics Data System (ADS)

Soares, J. B.; Bica, E.; Ahumada, A. V.; Clariá, J. J.

2005-02-01

An analysis of the candidate embedded stellar systems in the reflection nebulae vdBH-RN 26, vdBH-RN} 38, vdBH-RN} 53a, GGD 20, ESO 95-RN 18 and NGC 6595 is presented. Optical spectroscopic data from CASLEO (Argentina) in conjunction with near infrared photometry from the 2MASS Point Source Catalogue were employed. The analysis is based on source surface density, colour-colour and colour-magnitude diagrams together with theoretical pre-main sequence isochrones. We take into account the field population affecting the analysis by carrying out a statistical subtraction. The fundamental parameters for the stellar systems were derived. The resulting ages are in the range 1-4 Myr and the objects are dominated by pre-main sequence stars. The observed masses locked in the clusters are less than 25 M⊙. The studied systems have no stars of spectral types earlier than B, indicating that star clusters do not necessarily evolve through an HII region phase. The relatively small locked mass combined with the fact that they are not numerous in catalogues suggests that these low mass clusters are not important donors of stars to the field populations. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

Evaluation of optical and electronic properties of silicon nano-agglomerates embedded in SRO: applying density functional theory

PubMed Central

2014-01-01

In systems in atomic scale and nanoscale such as clusters or agglomerates constituted by particles from a few to less than 100 atoms, quantum confinement effects are very important. Their optical and electronic properties are often dependent on the size of the systems and the way in which the atoms in these clusters are bonded. Generally, these nanostructures display optical and electronic properties significantly different to those found in corresponding bulk materials. Silicon agglomerates embedded in silicon rich oxide (SRO) films have optical properties, which have been reported to be directly dependent on silicon nanocrystal size. Furthermore, the room temperature photoluminescence (PL) of SRO has repeatedly generated a huge interest due to its possible applications in optoelectronic devices. However, a plausible emission mechanism has not been widely accepted in the scientific community. In this work, we present a short review about the experimental results on silicon nanoclusters in SRO considering different techniques of growth. We focus mainly on their size, Raman spectra, and photoluminescence spectra. With this as background, we employed the density functional theory with a functional B3LYP and a basis set 6-31G* to calculate the optical and electronic properties of clusters of silicon (constituted by 15 to 20 silicon atoms). With the theoretical calculation of the structural and optical properties of silicon clusters, it is possible to evaluate the contribution of silicon agglomerates in the luminescent emission mechanism, experimentally found in thin SRO films. PMID:25276105

The DV-Xα Calculations of Optical Spectra and Their Pressure-Induced Shifts for Ruby

NASA Astrophysics Data System (ADS)

Ma, Dongping; Ellis, D. E.; Liu, Yanyun; Chen, Jurong

1997-10-01

The R line and U band at normal pressure and their pressure-induced shifts of ruby have been calculated by making use of the SCF embedded-cluster discrete variational (DV-Xα) method. The calculated results of the spectral pressure-induced shifts of ruby by making use of the crystal-field theory have also been given. The results of the first-principle calculations are in very good agreement with the experimental data and the calculated results by using crystal-field theory. The results of local lattice relaxations around the Cr3+ ion are obtained by the DV-Xα calculations. The project supported by National Natural Science Foundation of China

Embedded arrays of vertically aligned carbon nanotube carpets and methods for making them

DOEpatents

Kim, Myung Jong; Nicholas, Nolan Walker; Kittrell, W. Carter; Schmidt, Howard K.

2015-06-30

According to some embodiments, the present invention provides a system and method for supporting a carbon nanotube array that involve an entangled carbon nanotube mat integral with the array, where the mat is embedded in an embedding material. The embedding material may be depositable on a carbon nanotube. A depositable material may be metallic or nonmetallic. The embedding material may be an adhesive material. The adhesive material may optionally be mixed with a metal powder. The embedding material may be supported by a substrate or self-supportive. The embedding material may be conductive or nonconductive. The system and method provide superior mechanical and, when applicable, electrical, contact between the carbon nanotubes in the array and the embedding material. The optional use of a conductive material for the embedding material provides a mechanism useful for integration of carbon nanotube arrays into electronic devices.

Influence of Parameters of a Reactive Interatomic Potential on the Properties of Saturated Hydrocarbons

DTIC Science & Technology

2017-01-01

Methodology 3 2.1 Modified Embedded-Atom Method Theory 3 2.1.1 Embedding Energy Function 3 2.1.2 Screening Factor 8 2.1.3 Modified Embedded-Atom...Simulation Methodology 2.1 Modified Embedded-Atom Method Theory In the EAM and MEAM formalisms1,2,5 the total energy of a system of atoms (Etot) is...An interatomic potential for saturated hydrocarbons using the modified embedded-atom method (MEAM), a semiempirical many-body potential based on

A Simple ab initio Model for the Hydrated Electron that Matches Experiment

PubMed Central

Kumar, Anil; Walker, Jonathan A.; Bartels, David M.; Sevilla, Michael D.

2015-01-01

Since its discovery over 50 years ago, the “structure” and properties of the hydrated electron has been a subject for wonderment and also fierce debate. In the present work we seriously explore a minimal model for the aqueous electron, consisting of a small water anion cluster embedded in a polarized continuum, using several levels of ab initio calculation and basis set. The minimum energy zero “Kelvin” structure found for any 4-water (or larger) anion cluster, at any post-Hartree-Fock theory level, is very similar to a recently reported embedded-DFT-in-classical-water-MD simulation (UMJ: Uhlig, Marsalek, and Jungwirth, Journal of Physical Chemistry Letters 2012, 3, 3071-5), with four OH bonds oriented toward the maximum charge density in a small central “void”. The minimum calculation with just four water molecules does a remarkably good job of reproducing the resonance Raman properties, the radius of gyration derived from the optical spectrum, the vertical detachment energy, and the hydration free energy. For the first time we also successfully calculate the EPR g-factor and (low temperature ice) hyperfine couplings. The simple tetrahedral anion cluster model conforms very well to experiment, suggesting it does in fact represent the dominant structural motif of the hydrated electron. PMID:26275103

Coexistence of two electronic phases in LaTiO3+δ (0.01⩽δ⩽0.12) and their evolution with δ

NASA Astrophysics Data System (ADS)

Zhou, H. D.; Goodenough, J. B.

2005-04-01

Although LaTiO3+δ(0.01⩽δ⩽0.12) is single-phase to powder x-ray diffraction, its properties reveal that a hole-poor strongly correlated electronic phase coexists with a hole-rich itinerant-electron phase. With δ⩽0.03 , the hole-rich phase exists as a minority phase of isolated, mobile itinerant-electron clusters embedded in the hole-poor phase. With δ⩾0.08 , isolated hole-poor clusters are embedded in an itinerant-electron matrix. As δ>0.08 increases, the hole-poor clusters become smaller and more isolated until they are reduced to superparamagnetic strong-correlation fluctuations by δ=0.12 . This behavior is consistent with prediction from the virial theorem of a first-order phase change at the crossover from localized (or strongly correlated) to itinerant electronic behavior, a smaller equilibrium (Ti-O) bond length being in the itinerant-electron phase. Accordingly, the variation of volume with oxidation state does not obey Végard’s law; the itinerant-electron minority phase exerts a compressive force on the hole-poor matrix, and the hole-poor minority phase exerts a tensile stress on the hole-rich matrix.

The Path Resistance Method for Bounding the Smallest Nontrivial Eigenvalue of a Laplacian

NASA Technical Reports Server (NTRS)

Guattery, Stephen; Leighton, Tom; Miller, Gary L.

1997-01-01

We introduce the path resistance method for lower bounds on the smallest nontrivial eigenvalue of the Laplacian matrix of a graph. The method is based on viewing the graph in terms of electrical circuits; it uses clique embeddings to produce lower bounds on lambda(sub 2) and star embeddings to produce lower bounds on the smallest Rayleigh quotient when there is a zero Dirichlet boundary condition. The method assigns priorities to the paths in the embedding; we show that, for an unweighted tree T, using uniform priorities for a clique embedding produces a lower bound on lambda(sub 2) that is off by at most an 0(log diameter(T)) factor. We show that the best bounds this method can produce for clique embeddings are the same as for a related method that uses clique embeddings and edge lengths to produce bounds.

Exact density functional and wave function embedding schemes based on orbital localization

NASA Astrophysics Data System (ADS)

Hégely, Bence; Nagy, Péter R.; Ferenczy, György G.; Kállay, Mihály

2016-08-01

Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

Predicting radiologists' true and false positive decisions in reading mammograms by using gaze parameters and image-based features

NASA Astrophysics Data System (ADS)

Gandomkar, Ziba; Tay, Kevin; Ryder, Will; Brennan, Patrick C.; Mello-Thoms, Claudia

2016-03-01

Radiologists' gaze-related parameters combined with image-based features were utilized to classify suspicious mammographic areas ultimately scored as True Positives (TP) and False Positives (FP). Eight breast radiologists read 120 two-view digital mammograms of which 59 had biopsy proven cancer. Eye tracking data was collected and nearby fixations were clustered together. Suspicious areas on mammograms were independently identified based on thresholding an intensity saliency map followed by automatic segmentation and pruning steps. For each radiologist reported area, radiologist's fixation clusters in the area, as well as neighboring suspicious areas within 2.5° of the center of fixation, were found. A 45-dimensional feature vector containing gaze parameters of the corresponding cluster along with image-based characteristics was constructed. Gaze parameters included total number of fixations in the cluster, dwell time, time to hit the cluster for the first time, maximum number of consecutive fixations, and saccade magnitude of the first fixation in the cluster. Image-based features consisted of intensity, shape, and texture descriptors extracted from the region around the suspicious area, its surrounding tissue, and the entire breast. For each radiologist, a userspecific Support Vector Machine (SVM) model was built to classify the reported areas as TPs or FPs. Leave-one-out cross validation was utilized to avoid over-fitting. A feature selection step was embedded in the SVM training procedure by allowing radial basis function kernels to have 45 scaling factors. The proposed method was compared with the radiologists' performance using the jackknife alternative free-response receiver operating characteristic (JAFROC). The JAFROC figure of merit increased significantly for six radiologists.

Constraints on the gamma-ray emission from the cluster-scale AGN outburst in the Hydra A galaxy cluster

NASA Astrophysics Data System (ADS)

HESS Collaboration; Abramowski, A.; Acero, F.; Aharonian, F.; Akhperjanian, A. G.; Anton, G.; Balenderan, S.; Balzer, A.; Barnacka, A.; Becherini, Y.; Becker, J.; Bernlöhr, K.; Birsin, E.; Biteau, J.; Bochow, A.; Boisson, C.; Bolmont, J.; Bordas, P.; Brucker, J.; Brun, F.; Brun, P.; Bulik, T.; Büsching, I.; Carrigan, S.; Casanova, S.; Cerruti, M.; Chadwick, P. M.; Charbonnier, A.; Chaves, R. C. G.; Cheesebrough, A.; Cologna, G.; Conrad, J.; Couturier, C.; Daniel, M. K.; Davids, I. D.; Degrange, B.; Deil, C.; Dickinson, H. J.; Djannati-Ataï, A.; Domainko, W.; O'C. Drury, L.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Egberts, K.; Eger, P.; Espigat, P.; Fallon, L.; Fegan, S.; Feinstein, F.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Füßling, M.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Gast, H.; Gérard, L.; Giebels, B.; Glicenstein, J. F.; Glück, B.; Göring, D.; Grondin, M.-H.; Häffner, S.; Hague, J. D.; Hahn, J.; Hampf, D.; Harris, J.; Hauser, M.; Heinz, S.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hillert, A.; Hinton, J. A.; Hofmann, W.; Hofverberg, P.; Holler, M.; Horns, D.; Jacholkowska, A.; Jahn, C.; Jamrozy, M.; Jung, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kaufmann, S.; Khélifi, B.; Klochkov, D.; Kluźniak, W.; Kneiske, T.; Komin, Nu.; Kosack, K.; Kossakowski, R.; Krayzel, F.; Laffon, H.; Lamanna, G.; Lenain, J.-P.; Lennarz, D.; Lohse, T.; Lopatin, A.; Lu, C.-C.; Marandon, V.; Marcowith, A.; Masbou, J.; Maurin, G.; Maxted, N.; Mayer, M.; McComb, T. J. L.; Medina, M. C.; Méhault, J.; Moderski, R.; Mohamed, M.; Moulin, E.; Naumann, C. L.; Naumann-Godo, M.; de Naurois, M.; Nedbal, D.; Nekrassov, D.; Nguyen, N.; Nicholas, B.; Niemiec, J.; Nolan, S. J.; Ohm, S.; de Oña Wilhelmi, E.; Opitz, B.; Ostrowski, M.; Oya, I.; Panter, M.; Paz Arribas, M.; Pekeur, N. W.; Pelletier, G.; Perez, J.; Petrucci, P.-O.; Peyaud, B.; Pita, S.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raue, M.; Reimer, A.; Reimer, O.; Renaud, M.; de los Reyes, R.; Rieger, F.; Ripken, J.; Rob, L.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Sanchez, D. A.; Santangelo, A.; Schlickeiser, R.; Schulz, A.; Schwanke, U.; Schwarzburg, S.; Schwemmer, S.; Sheidaei, F.; Skilton, J. L.; Sol, H.; Spengler, G.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Szostek, A.; Tavernet, J.-P.; Terrier, R.; Tluczykont, M.; Valerius, K.; van Eldik, C.; Vasileiadis, G.; Venter, C.; Viana, A.; Vincent, P.; Völk, H. J.; Volpe, F.; Vorobiov, S.; Vorster, M.; Wagner, S. J.; Ward, M.; White, R.; Wierzcholska, A.; Zacharias, M.; Zajczyk, A.; Zdziarski, A. A.; Zech, A.; Zechlin, H.-S.; Ali, M. O.

2012-09-01

Context. In some galaxy clusters, powerful active galactic nuclei (AGN) have blown bubbles with cluster scale extent into the ambient medium. The main pressure support of these bubbles is not known to date, but cosmic rays are a viable possibility. For such a scenario copious gamma-ray emission is expected as a tracer of cosmic rays from these systems. Aims: Hydra A, the closest galaxy cluster hosting a cluster scale AGN outburst, located at a redshift of 0.0538, is investigated for being a gamma-ray emitter with the High Energy Stereoscopic System (H.E.S.S.) array and the Fermi Large Area Telescope (Fermi-LAT). Methods: Data obtained in 20.2 h of dedicated H.E.S.S. observations and 38 months of Fermi-LAT data, gathered by its usual all-sky scanning mode, have been analyzed to search for a gamma-ray signal. Results: No signal has been found in either data set. Upper limits on the gamma-ray flux are derived and are compared to models. These are the first limits on gamma-ray emission ever presented for galaxy clusters hosting cluster scale AGN outbursts. Conclusions: The non-detection of Hydra A in gamma-rays has important implications on the particle populations and physical conditions inside the bubbles in this system. For the case of bubbles mainly supported by hadronic cosmic rays, the most favorable scenario, which involves full mixing between cosmic rays and embedding medium, can be excluded. However, hadronic cosmic rays still remain a viable pressure support agent to sustain the bubbles against the thermal pressure of the ambient medium. The largest population of highly-energetic electrons, which are relevant for inverse-Compton gamma-ray production is found in the youngest inner lobes of Hydra A. The limit on the inverse-Compton gamma-ray flux excludes a magnetic field below half of the equipartition value of 16 μG in the inner lobes.

Low-temperature electronic transport in one-dimensional hybrid systems: Metal cluster embedded carbon nanotubes

NASA Astrophysics Data System (ADS)

Soldano, Caterina

The investigation of the electronic and magnetotransport properties at low temperature in individual MWNT with embedded clusters are here presented. The majority of studies of transport in MWNT reported in literature has been carried out on arc-discharge grown tubes, generally considered "clean" and defect-free. In this project, individual MWNT grown in alumina template are used; these tubes are highly disordered compared for example to arc-discharge ones, conditions that dramatically will impact the charge transport. As-fabricated devices are in general highly resistive. A large decrease in the value of the device resistance can be achieved through a controlled and fast high-bias sweep method (HBT) across the sample. Scanning electron microscopy analysis shows that this method induces a metal (platinum) decoration of the MWNT surface as a consequence of the large amount of Joule heating developed during the sweep. Temperature dependence study (5

The Gaia-ESO Survey and CSI 2264: Substructures, disks, and sequential star formation in the young open cluster NGC 2264

NASA Astrophysics Data System (ADS)

Venuti, L.; Prisinzano, L.; Sacco, G. G.; Flaccomio, E.; Bonito, R.; Damiani, F.; Micela, G.; Guarcello, M. G.; Randich, S.; Stauffer, J. R.; Cody, A. M.; Jeffries, R. D.; Alencar, S. H. P.; Alfaro, E. J.; Lanzafame, A. C.; Pancino, E.; Bayo, A.; Carraro, G.; Costado, M. T.; Frasca, A.; Jofré, P.; Morbidelli, L.; Sousa, S. G.; Zaggia, S.

2018-01-01

Context. Reconstructing the structure and history of young clusters is pivotal to understanding the mechanisms and timescales of early stellar evolution and planet formation. Recent studies suggest that star clusters often exhibit a hierarchical structure, possibly resulting from several star formation episodes occurring sequentially rather than a monolithic cloud collapse. Aims: We aim to explore the structure of the open cluster and star-forming region NGC 2264 ( 3 Myr), which is one of the youngest, richest and most accessible star clusters in the local spiral arm of our Galaxy; we link the spatial distribution of cluster members to other stellar properties such as age and evolutionary stage to probe the star formation history within the region. Methods: We combined spectroscopic data obtained as part of the Gaia-ESO Survey (GES) with multi-wavelength photometric data from the Coordinated Synoptic Investigation of NGC 2264 (CSI 2264) campaign. We examined a sample of 655 cluster members, with masses between 0.2 and 1.8 M⊙ and including both disk-bearing and disk-free young stars. We used Teff estimates from GES and g,r,i photometry from CSI 2264 to derive individual extinction and stellar parameters. Results: We find a significant age spread of 4-5 Myr among cluster members. Disk-bearing objects are statistically associated with younger isochronal ages than disk-free sources. The cluster has a hierarchical structure, with two main blocks along its latitudinal extension. The northern half develops around the O-type binary star S Mon; the southern half, close to the tip of the Cone Nebula, contains the most embedded regions of NGC 2264, populated mainly by objects with disks and ongoing accretion. The median ages of objects at different locations within the cluster, and the spatial distribution of disked and non-disked sources, suggest that star formation began in the north of the cluster, over 5 Myr ago, and was ignited in its southern region a few Myr later. Star formation is likely still ongoing in the most embedded regions of the cluster, while the outer regions host a widespread population of more evolved objects; these may be the result of an earlier star formation episode followed by outward migration on timescales of a few Myr. We find a detectable lag between the typical age of disk-bearing objects and that of accreting objects in the inner regions of NGC 2264: the first tend to be older than the second, but younger than disk-free sources at similar locations within the cluster. This supports earlier findings that the characteristic timescales of disk accretion are shorter than those of disk dispersal, and smaller than the average age of NGC 2264 (i.e., ≲3 Myr). At the same time, we note that disks in the north of the cluster tend to be shorter-lived ( 2.5 Myr) than elsewhere; this may reflect the impact of massive stars within the region (notably S Mon), that trigger rapid disk dispersal. Conclusions: Our results, consistent with earlier studies on NGC 2264 and other young clusters, support the idea of a star formation process that takes place sequentially over a prolonged span in a given region. A complete understanding of the dynamics of formation and evolution of star clusters requires accurate astrometric and kinematic characterization of its population; significant advance in this field is foreseen in the upcoming years thanks to the ongoing Gaia mission, coupled with extensive ground-based surveys like GES. Full Table B.1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/609/A10

Wiggler magnetic field assisted third harmonic generation in expanding clusters

NASA Astrophysics Data System (ADS)

Vij, Shivani

2018-04-01

A simple theoretical model is constructed to study the wiggler magnetic field assisted third harmonic generation of intense short pulse laser in a cluster in its expanding phase. The ponderomotive force of laser causes density perturbations in cluster electron density which couples with wiggler magnetic field to produce a nonlinear current that generates transverse third harmonic. An intense short pulse laser propagating through a gas embedded with atomic clusters, converts it into hot plasma balls via tunnel ionization. Initially, the electron plasma frequency inside the clusters ω pe > \\sqrt{3}{ω }1 (with ω 1 being the frequency of the laser). As the cluster expands under Coulomb force and hydrodynamic pressure, ω pe decreases to \\sqrt{3}{ω }1. At this time, there is resonant enhancement in the efficiency of the third harmonic generation. The efficiency of third harmonic generation is enhanced due to cluster plasmon resonance and by phase matching due to wiggler magnetic field. The effect of cluster size on the expansion rate is studied to observe that the clusters of different radii would expand differently. The impact of laser intensity and wiggler magnetic field on the efficiency of third harmonic generation is also explored.

Social networks and links to isolation and loneliness among elderly HCBS clients.

PubMed

Medvene, Louis J; Nilsen, Kari M; Smith, Rachel; Ofei-Dodoo, Samuel; DiLollo, Anthony; Webster, Noah; Graham, Annette; Nance, Anita

2016-01-01

The purpose of this study was to explore the network types of HCBS clients based on the structural characteristics of their social networks. We also examined how the network types were associated with social isolation, relationship quality and loneliness. Forty personal interviews were carried out with HCBS clients to assess the structure of their social networks as indicated by frequency of contact with children, friends, family and participation in religious and community organizations. Hierarchical cluster analysis was conducted to identify network types. Four network types were found including: family (n = 16), diverse (n = 8), restricted (n = 8) and religious (n = 7). Family members comprised almost half of participants' social networks, and friends comprised less than one-third. Clients embedded in family, diverse and religious networks had significantly more positive relationships than clients embedded in restricted networks. Clients embedded in restricted networks had significantly higher social isolation scores and were lonelier than clients in diverse and family networks. The findings suggest that HCBS clients' isolation and loneliness are linked to the types of social networks in which they are embedded. The findings also suggest that clients embedded in restricted networks are at high risk for negative outcomes.

Designing flexible engineering systems utilizing embedded architecture options

NASA Astrophysics Data System (ADS)

Pierce, Jeff G.

This dissertation develops and applies an integrated framework for embedding flexibility in an engineered system architecture. Systems are constantly faced with unpredictability in the operational environment, threats from competing systems, obsolescence of technology, and general uncertainty in future system demands. Current systems engineering and risk management practices have focused almost exclusively on mitigating or preventing the negative consequences of uncertainty. This research recognizes that high uncertainty also presents an opportunity to design systems that can flexibly respond to changing requirements and capture additional value throughout the design life. There does not exist however a formalized approach to designing appropriately flexible systems. This research develops a three stage integrated flexibility framework based on the concept of architecture options embedded in the system design. Stage One defines an eight step systems engineering process to identify candidate architecture options. This process encapsulates the operational uncertainty though scenario development, traces new functional requirements to the affected design variables, and clusters the variables most sensitive to change. The resulting clusters can generate insight into the most promising regions in the architecture to embed flexibility in the form of architecture options. Stage Two develops a quantitative option valuation technique, grounded in real options theory, which is able to value embedded architecture options that exhibit variable expiration behavior. Stage Three proposes a portfolio optimization algorithm, for both discrete and continuous options, to select the optimal subset of architecture options, subject to budget and risk constraints. Finally, the feasibility, extensibility and limitations of the framework are assessed by its application to a reconnaissance satellite system development problem. Detailed technical data, performance models, and cost estimates were compiled for the Tactical Imaging Constellation Architecture Study and leveraged to complete a realistic proof-of-concept.

Embedded WENO: A design strategy to improve existing WENO schemes

NASA Astrophysics Data System (ADS)

van Lith, Bart S.; ten Thije Boonkkamp, Jan H. M.; IJzerman, Wilbert L.

2017-02-01

Embedded WENO methods utilise all adjacent smooth substencils to construct a desirable interpolation. Conventional WENO schemes under-use this possibility close to large gradients or discontinuities. We develop a general approach for constructing embedded versions of existing WENO schemes. Embedded methods based on the WENO schemes of Jiang and Shu [1] and on the WENO-Z scheme of Borges et al. [2] are explicitly constructed. Several possible choices are presented that result in either better spectral properties or a higher order of convergence for sufficiently smooth solutions. However, these improvements carry over to discontinuous solutions. The embedded methods are demonstrated to be indeed improvements over their standard counterparts by several numerical examples. All the embedded methods presented have no added computational effort compared to their standard counterparts.

Star formation activity in the southern Galactic H II region G351.63-1.25

NASA Astrophysics Data System (ADS)

Vig, S.; Ghosh, S. K.; Ojha, D. K.; Verma, R. P.; Tamura, M.

2014-06-01

The southern Galactic high-mass star-forming region, G351.63-1.25, is an H II region-molecular cloud complex with a luminosity of ˜2.0 × 105 L⊙, located at a distance of 2.4 kpc from the Sun. In this paper, we focus on the investigation of the associated H II region, embedded cluster and the interstellar medium in the vicinity of G351.63-1.25. We address the identification of exciting source(s) as well as the census of the stellar populations, in an attempt to unfold star formation activity in this region. The ionized gas distribution has been mapped using the Giant Metrewave Radio Telescope, India, at three frequencies: 1280, 610 and 325 MHz. The H II region shows an elongated morphology and the 1280 MHz map comprises six resolved high-density regions encompassed by diffuse emission spanning 1.4 × 1.0 pc2. Based on the measurements of flux densities at multiple radio frequencies, the brightest ultracompact core has electron temperature Te˜7647 {±} 153 K and emission measure, EM˜2.0 {±} 0.8×107 cm-6 pc. The zero-age main-sequence spectral type of the brightest radio core is O7.5. We have carried out near-infrared observations in the JHKs bands using the SIRIUS camera on the 1.4 m Infrared Survey Facility telescope. The near-infrared images reveal the presence of a cluster embedded in nebulous fan-shaped emission. The log-normal slope of the K-band luminosity function of the embedded cluster is found to be ˜0.27 ± 0.03, and the fraction of the near-infrared excess stars is estimated to be 43 per cent. These indicate that the age of the cluster is consistent with ˜1 Myr. Other available data of this region show that the warm (mid-infrared) and cold (millimetre) dust emission peak at different locations indicating progressive stages of star formation process. The champagne flow model from a flat, thin molecular cloud is used to explain the morphology of radio emission with respect to the millimetre cloud and infrared brightness.

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

Hégely, Bence; Nagy, Péter R.; Kállay, Mihály, E-mail: kallay@mail.bme.hu

Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up themore » system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.« less

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

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

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

2015-09-14

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

RESLanjut: The learning media for improve students understanding in embedded systems

NASA Astrophysics Data System (ADS)

Indrianto, Susanti, Meilia Nur Indah; Karina, Djunaidi

2017-08-01

The use of network in embedded system can be done with many kinds of network, with the use of mobile phones, bluetooths, modems, ethernet cards, wireless technology and so on. Using network in embedded system could help people to do remote controlling. On previous research, researchers found that many students have the ability to comprehend the basic concept of embedded system. They could also make embedded system tools but without network integration. And for that, a development is needed for the embedded system module. The embedded system practicum module design needs a prototype method in order to achieve the desired goal. The prototype method is often used in the real world. Or even, a prototype method is a part of products that consist of logic expression or external physical interface. The embedded system practicum module is meant to increase student comprehension of embedded system course, and also to encourage students to innovate on technology based tools. It is also meant to help teachers to teach the embedded system concept on the course. The student comprehension is hoped to increase with the use of practicum course.

NGC 346: Looking in the Cradle of a Massive Star Cluster

NASA Astrophysics Data System (ADS)

Gouliermis, Dimitrios A.; Hony, Sacha

2017-03-01

How does a star cluster of more than few 10,000 solar masses form? We present the case of the cluster NGC 346 in the Small Magellanic Cloud, still embedded in its natal star-forming region N66, and we propose a scenario for its formation, based on observations of the rich stellar populations in the region. Young massive clusters host a high fraction of early-type stars, indicating an extremely high star formation efficiency. The Milky Way galaxy hosts several young massive clusters that fill the gap between young low-mass open clusters and old massive globular clusters. Only a handful, though, are young enough to study their formation. Moreover, the investigation of their gaseous natal environments suffers from contamination by the Galactic disk. Young massive clusters are very abundant in distant starburst and interacting galaxies, but the distance of their hosting galaxies do not also allow a detailed analysis of their formation. The Magellanic Clouds, on the other hand, host young massive clusters in a wide range of ages with the youngest being still embedded in their giant HII regions. Hubble Space Telescope imaging of such star-forming complexes provide a stellar sampling with a high dynamic range in stellar masses, allowing the detailed study of star formation at scales typical for molecular clouds. Our cluster analysis on the distribution of newly-born stars in N66 shows that star formation in the region proceeds in a clumpy hierarchical fashion, leading to the formation of both a dominant young massive cluster, hosting about half of the observed pre-main-sequence population, and a self-similar dispersed distribution of the remaining stars. We investigate the correlation between stellar surface density (and star formation rate derived from star-counts) and molecular gas surface density (derived from dust column density) in order to unravel the physical conditions that gave birth to NGC 346. A power law fit to the data yields a steep correlation between these two parameters with a considerable scatter. The fraction of stellar over the total (gas plus young stars) mass is found to be systematically higher within the central 15 pc (where the young massive cluster is located) than outside, which suggests variations in the star formation efficiency within the same star-forming complex. This trend possibly reflects a change of star formation efficiency in N66 between clustered and non-clustered star formation. Our findings suggest that the formation of NGC 346 is the combined result of star formation regulated by turbulence and of early dynamical evolution induced by the gravitational potential of the dense interstellar medium.

An Observational Study of Blended Young Stellar Clusters in the Galactic Plane - Do Massive Stars form First?

NASA Astrophysics Data System (ADS)

Martínez-Galarza, Rafael; Protopapas, Pavlos; Smith, Howard A.; Morales, Esteban

2018-01-01

From an observational point of view, the early life of massive stars is difficult to understand partly because star formation occurs in crowded clusters where individual stars often appear blended together in the beams of infrared telescopes. This renders the characterization of the physical properties of young embedded clusters via spectral energy distribution (SED) fitting a challenging task. Of particular relevance for the testing of star formation models is the question of whether the claimed universality of the IMF (references) is reflected in an equally universal integrated galactic initial mass function (IGIMF) of stars. In other words, is the set of all stellar masses in the galaxy sampled from a single universal IMF, or does the distribution of masses depend on the environment, making the IGIMF different from the canonical IMF? If the latter is true, how different are the two? We present a infrared SED analysis of ~70 Spitzer-selected, low mass ($<100~\\rm{M}_{\\odot}$), galactic blended clusters. For all of the clusters we obtain the most probable individual SED of each member and derive their physical properties, effectively deblending the confused emission from individual YSOs. Our algorithm incorporates a combined probabilistic model of the blended SEDs and the unresolved images in the long-wavelength end. We find that our results are compatible with competitive accretion in the central regions of young clusters, with the most massive stars forming early on in the process and less massive stars forming about 1Myr later. We also find evidence for a relationship between the total stellar mass of the cluster and the mass of the most massive member that favors optimal sampling in the cluster and disfavors random sampling for the canonical IMF, implying that star formation is self-regulated, and that the mass of the most massive star in a cluster depends on the available resources. The method presented here is easily adapted to future observations of clustered regions of star formation with JWST and other high resolution facilities.

Endohedral gallide cluster superconductors and superconductivity in ReGa5.

PubMed

Xie, Weiwei; Luo, Huixia; Phelan, Brendan F; Klimczuk, Tomasz; Cevallos, Francois Alexandre; Cava, Robert Joseph

2015-12-22

We present transition metal-embedded (T@Gan) endohedral Ga-clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2Ga9 are all previously known superconductors. The well-known exotic superconductor PuCoGa5 and related phases are also members of this endohedral gallide cluster family. We show that electron-deficient compounds like Mo8Ga41 prefer architectures with vertex-sharing gallium clusters, whereas electron-rich compounds, like PdGa5, prefer edge-sharing cluster architectures. The superconducting transition temperatures are highest for the electron-poor, corner-sharing architectures. Based on this analysis, the previously unknown endohedral cluster compound ReGa5 is postulated to exist at an intermediate electron count and a mix of corner sharing and edge sharing cluster architectures. The empirical prediction is shown to be correct and leads to the discovery of superconductivity in ReGa5. The Fermi levels for endohedral gallide cluster compounds are located in deep pseudogaps in the electronic densities of states, an important factor in determining their chemical stability, while at the same time limiting their superconducting transition temperatures.

Understanding the many-body expansion for large systems. II. Accuracy considerations

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

Lao, Ka Un; Liu, Kuan-Yu; Richard, Ryan M.

2016-04-28

To complement our study of the role of finite precision in electronic structure calculations based on a truncated many-body expansion (MBE, or “n-body expansion”), we examine the accuracy of such methods in the present work. Accuracy may be defined either with respect to a supersystem calculation computed at the same level of theory as the n-body calculations, or alternatively with respect to high-quality benchmarks. Both metrics are considered here. In applications to a sequence of water clusters, (H{sub 2}O){sub N=6−55} described at the B3LYP/cc-pVDZ level, we obtain mean absolute errors (MAEs) per H{sub 2}O monomer of ∼1.0 kcal/mol for two-bodymore » expansions, where the benchmark is a B3LYP/cc-pVDZ calculation on the entire cluster. Three- and four-body expansions exhibit MAEs of 0.5 and 0.1 kcal/mol/monomer, respectively, without resort to charge embedding. A generalized many-body expansion truncated at two-body terms [GMBE(2)], using 3–4 H{sub 2}O molecules per fragment, outperforms all of these methods and affords a MAE of ∼0.02 kcal/mol/monomer, also without charge embedding. GMBE(2) requires significantly fewer (although somewhat larger) subsystem calculations as compared to MBE(4), reducing problems associated with floating-point roundoff errors. When compared to high-quality benchmarks, we find that error cancellation often plays a critical role in the success of MBE(n) calculations, even at the four-body level, as basis-set superposition error can compensate for higher-order polarization interactions. A many-body counterpoise correction is introduced for the GMBE, and its two-body truncation [GMBCP(2)] is found to afford good results without error cancellation. Together with a method such as ωB97X-V/aug-cc-pVTZ that can describe both covalent and non-covalent interactions, the GMBE(2)+GMBCP(2) approach provides an accurate, stable, and tractable approach for large systems.« less

Magnetism in Mn-nanowires and -clusters as δ-doped layers in group IV semiconductors (Si, Ge)

NASA Astrophysics Data System (ADS)

Simov, K. R.; Glans, P.-A.; Jenkins, C. A.; Liberati, M.; Reinke, P.

2018-01-01

Mn doping of group-IV semiconductors (Si/Ge) is achieved by embedding nanostructured Mn-layers in group-IV matrix. The Mn-nanostructures are monoatomic Mn-wires or Mn-clusters and capped with an amorphous Si or Ge layer. The precise fabrication of δ-doped Mn-layers is combined with element-specific detection of the magnetic signature with x-ray magnetic circular dichroism. The largest moment (2.5 μB/Mn) is measured for Mn-wires with ionic bonding character and a-Ge overlayer cap; a-Si capping reduces the moment due to variations of bonding in agreement with theoretical predictions. The moments in δ-doped layers dominated by clusters is quenched with an antiferromagnetic component from Mn-Mn bonding.

Curvature and temperature of complex networks.

PubMed

Krioukov, Dmitri; Papadopoulos, Fragkiskos; Vahdat, Amin; Boguñá, Marián

2009-09-01

We show that heterogeneous degree distributions in observed scale-free topologies of complex networks can emerge as a consequence of the exponential expansion of hidden hyperbolic space. Fermi-Dirac statistics provides a physical interpretation of hyperbolic distances as energies of links. The hidden space curvature affects the heterogeneity of the degree distribution, while clustering is a function of temperature. We embed the internet into the hyperbolic plane and find a remarkable congruency between the embedding and our hyperbolic model. Besides proving our model realistic, this embedding may be used for routing with only local information, which holds significant promise for improving the performance of internet routing.

An embedded formula of the Chebyshev collocation method for stiff problems

NASA Astrophysics Data System (ADS)

Piao, Xiangfan; Bu, Sunyoung; Kim, Dojin; Kim, Philsu

2017-12-01

In this study, we have developed an embedded formula of the Chebyshev collocation method for stiff problems, based on the zeros of the generalized Chebyshev polynomials. A new strategy for the embedded formula, using a pair of methods to estimate the local truncation error, as performed in traditional embedded Runge-Kutta schemes, is proposed. The method is performed in such a way that not only the stability region of the embedded formula can be widened, but by allowing the usage of larger time step sizes, the total computational costs can also be reduced. In terms of concrete convergence and stability analysis, the constructed algorithm turns out to have an 8th order convergence and it exhibits A-stability. Through several numerical experimental results, we have demonstrated that the proposed method is numerically more efficient, compared to several existing implicit methods.

Small Au clusters on a defective MgO(1 0 0) surface

NASA Astrophysics Data System (ADS)

Barcaro, Giovanni; Fortunelli, Alessandro

2008-05-01

The lowest energy structures of small T]>rndm where rndm is a random number (Metropolis criterion), the new configuration is accepted, otherwise the old configuration is kept, and the process is iterated. For each size we performed 3-5 BH runs, each one composed of 20-25 Monte Carlo steps, using a value of 0.5 eV as kT in the Metropolis criterion. Previous experience [13-15] shows that this is sufficient to single out the global minimum for adsorbed clusters of this size, and that the BH approach is more efficient as a global optimization algorithm than other techniques such as simulated annealing [18]. The MgO support was described via an (Mg 12O 12) cluster embedded in an array of ±2.0 a.u. point charges and repulsive pseudopotentials on the positive charges in direct contact with the cluster (see Ref. [15] for more details on the method). The atoms of the oxide cluster and the point charges were located at the lattice positions of the MgO rock-salt bulk structure using the experimental lattice constant of 4.208 Å. At variance with the ), evaluated by subtracting the energy of the oxide surface and of the metal cluster, both frozen in their interacting configuration, from the value of the total energy of the system, and by taking the absolute value; (ii) the binding energy of the metal cluster (E), evaluated by subtracting the energy of the isolated metal atoms from the total energy of the metal cluster in its interacting configuration, and by taking the absolute value; (iii) the metal cluster distortion energy (E), which corresponds to the difference between the energy of the metal cluster in the configuration interacting with the surface minus the energy of the cluster in its lowest-energy gas-phase configuration (a positive quantity); (iv) the oxide distortion energy (ΔE), evaluated subtracting the energy of the relaxed isolated defected oxide from the energy of the isolated defected oxide in the interacting configuration; and (v) the total binding energy (E), which is the sum of the binding energy of the metal cluster, the adhesion energy and the oxide distortion energy (E=E+E-ΔE). Note that the total binding energy of gas-phase clusters in their global minima can be obtained by summing E+E.

Embedding of multidimensional time-dependent observations.

PubMed

Barnard, J P; Aldrich, C; Gerber, M

2001-10-01

A method is proposed to reconstruct dynamic attractors by embedding of multivariate observations of dynamic nonlinear processes. The Takens embedding theory is combined with independent component analysis to transform the embedding into a vector space of linearly independent vectors (phase variables). The method is successfully tested against prediction of the unembedded state vector in two case studies of simulated chaotic processes.

Embedding of multidimensional time-dependent observations

NASA Astrophysics Data System (ADS)

Barnard, Jakobus P.; Aldrich, Chris; Gerber, Marius

2001-10-01

A method is proposed to reconstruct dynamic attractors by embedding of multivariate observations of dynamic nonlinear processes. The Takens embedding theory is combined with independent component analysis to transform the embedding into a vector space of linearly independent vectors (phase variables). The method is successfully tested against prediction of the unembedded state vector in two case studies of simulated chaotic processes.

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments.

PubMed

Rinkevicius, Zilvinas; Li, Xin; Sandberg, Jaime A R; Mikkelsen, Kurt V; Ågren, Hans

2014-03-11

We introduce a density functional theory/molecular mechanical approach for computation of linear response properties of molecules in heterogeneous environments, such as metal surfaces or nanoparticles embedded in solvents. The heterogeneous embedding environment, consisting from metallic and nonmetallic parts, is described by combined force fields, where conventional force fields are used for the nonmetallic part and capacitance-polarization-based force fields are used for the metallic part. The presented approach enables studies of properties and spectra of systems embedded in or placed at arbitrary shaped metallic surfaces, clusters, or nanoparticles. The capability and performance of the proposed approach is illustrated by sample calculations of optical absorption spectra of thymidine absorbed on gold surfaces in an aqueous environment, where we study how different organizations of the gold surface and how the combined, nonadditive effect of the two environments is reflected in the optical absorption spectrum.

Vascular Morphogenesis in the Context of Inflammation: Self-Organization in a Fibrin-Based 3D Culture System.

PubMed

Rüger, Beate M; Buchacher, Tanja; Giurea, Alexander; Kubista, Bernd; Fischer, Michael B; Breuss, Johannes M

2018-01-01

Introduction: New vessel formation requires a continuous and tightly regulated interplay between endothelial cells with cells of the perivascular microenvironment supported by mechanic-physical and chemical cues from the extracellular matrix. Aim: Here we investigated the potential of small fragments of synovial tissue to form de novo vascular structures in the context of inflammation within three dimensional (3D) fibrin-based matrices in vitro , and assessed the contribution of mesenchymal stromal cell (MSC)-immune cell cross-talk to neovascularization considering paracrine signals in a fibrin-based co-culture model. Material and Methods: Synovial tissue fragments from patients with rheumatoid arthritis (RA) and inflammatory osteoarthritis (OA) were cultivated within 3D fibrin matrices for up to 4 weeks. Cellular and structural re-arrangement of the initially acellular matrix were documented by phase contrast microscopy and characterized by confocal laser-scanning microscopy of topographically intact 3D cultures and by immunohistochemistry. MSC-peripheral blood mononuclear cell (PBMC) co-cultures in the 3D fibrin system specifically addressed the influence of perivascular cell interactions to neo-vessel formation in a pro-inflammatory microenvironment. Cytokine levels in the supernatants of cultured explant tissues and co-cultures were evaluated by the Bio-Plex cytokine assay and ELISA. Results: Vascular outgrowth from the embedded tissue into the fibrin matrix was preceded by leukocyte egress from the tissue fragments. Neo-vessels originating from both the embedded sample and from clusters locally formed by emigrated mononuclear cells were consistently associated with CD45 + leukocytes. MSC and PBMC in co-culture formed vasculogenic clusters. Clusters and cells with endothelial phenotype emerging from them, were surrounded by a collagen IV scaffold. No vascular structures were observed in control 3D monocultures of PBMC or MSC. Paracrine signals released by cultured OA tissue fragments corresponded with elevated levels of granulocyte-colony stimulating factor, vascular endothelial growth factor and interleukin-6 secreted by MSC-PBMC co-cultures. Conclusion: Our results show that synovial tissue fragments with immune cell infiltrates have the potential to form new vessels in initially avascular 3D fibrin-based matrices. Cross-talk and cluster formation of MSC with immune cells within the 3D fibrin environment through self-organization and secretion of pro-angiogenic paracrine factors can support neo-vessel growth.

A Student Experiment Method for Learning the Basics of Embedded Software Technologies Including Hardware/Software Co-design

NASA Astrophysics Data System (ADS)

Kambe, Hidetoshi; Mitsui, Hiroyasu; Endo, Satoshi; Koizumi, Hisao

The applications of embedded system technologies have spread widely in various products, such as home appliances, cellular phones, automobiles, industrial machines and so on. Due to intensified competition, embedded software has expanded its role in realizing sophisticated functions, and new development methods like a hardware/software (HW/SW) co-design for uniting HW and SW development have been researched. The shortfall of embedded SW engineers was estimated to be approximately 99,000 in the year 2006, in Japan. Embedded SW engineers should understand HW technologies and system architecture design as well as SW technologies. However, a few universities offer this kind of education systematically. We propose a student experiment method for learning the basics of embedded system development, which includes a set of experiments for developing embedded SW, developing embedded HW and experiencing HW/SW co-design. The co-design experiment helps students learn about the basics of embedded system architecture design and the flow of designing actual HW and SW modules. We developed these experiments and evaluated them.

A model for the infrared emission from an OB star cluster environment

NASA Technical Reports Server (NTRS)

Leisawitz, D.

1991-01-01

A model for the infrared emission from the neighborhood of an OB star cluster is described. The distribution of gas and dust around the stars, properties of the dust, and the cluster and interstellar radiation fields are variable. The model can be applied to regions around clusters embedded to various degrees in their parental molecular clouds (i.e., compact H II regions, blister-type H II regions, and the tenuous H II regions ionized by naked O stars). The model is used to simulate IRAS observations of a typical blister H II region. Infrared surface brightness and spectral energy distributions are predicted and the impact of limited spatial resolution is illustrated. The model results are shown to be consistent with observations of the exemplary outer Galaxy OB cluster NGC 7380. It is planned to use the model as a diagnostic tool to probe the physical conditions and dust properties in star-formation regions and, ultimately, in an interpretation of the spectral energy distributions of spiral galaxies.

The organization of prospective thinking: evidence of event clusters in freely generated future thoughts.

PubMed

Demblon, Julie; D'Argembeau, Arnaud

2014-02-01

Recent research suggests that many imagined future events are not represented in isolation, but instead are embedded in broader event sequences-referred to as event clusters. It remains unclear, however, whether the production of event clusters reflects the underlying organizational structure of prospective thinking or whether it is an artifact of the event-cuing task in which participants are explicitly required to provide chains of associated future events. To address this issue, the present study examined whether the occurrence of event clusters in prospective thought is apparent when people are left to think freely about events that might happen in their personal future. The results showed that the succession of events participants spontaneously produced when envisioning their future frequently included event clusters. This finding provides more compelling evidence that prospective thinking involves higher-order autobiographical knowledge structures that organize imagined events in coherent themes and sequences. Copyright © 2014 Elsevier Inc. All rights reserved.

Assessment of Schrodinger Eigenmaps for target detection

NASA Astrophysics Data System (ADS)

Dorado Munoz, Leidy P.; Messinger, David W.; Czaja, Wojtek

2014-06-01

Non-linear dimensionality reduction methods have been widely applied to hyperspectral imagery due to its structure as the information can be represented in a lower dimension without losing information, and because the non-linear methods preserve the local geometry of the data while the dimension is reduced. One of these methods is Laplacian Eigenmaps (LE), which assumes that the data lies on a low dimensional manifold embedded in a high dimensional space. LE builds a nearest neighbor graph, computes its Laplacian and performs the eigendecomposition of the Laplacian. These eigenfunctions constitute a basis for the lower dimensional space in which the geometry of the manifold is preserved. In addition to the reduction problem, LE has been widely used in tasks such as segmentation, clustering, and classification. In this regard, a new Schrodinger Eigenmaps (SE) method was developed and presented as a semi-supervised classification scheme in order to improve the classification performance and take advantage of the labeled data. SE is an algorithm built upon LE, where the former Laplacian operator is replaced by the Schrodinger operator. The Schrodinger operator includes a potential term V, that, taking advantage of the additional information such as labeled data, allows clustering of similar points. In this paper, we explore the idea of using SE in target detection. In this way, we present a framework where the potential term V is defined as a barrier potential: a diagonal matrix encoding the spatial position of the target, and the detection performance is evaluated by using different targets and different hyperspectral scenes.

Nanoscale alloys and core-shell materials: Model predictions of the nanostructure and mechanical properties

NASA Astrophysics Data System (ADS)

Zhurkin, E. E.; van Hoof, T.; Hou, M.

2007-06-01

Atomic scale modeling methods are used to investigate the relationship between the properties of clusters of nanometer size and the materials that can be synthesized by assembling them. The examples of very different bimetallic systems are used. The first one is the Ni3Al ordered alloy and the second is the AgCo core-shell system. While the Ni3Al cluster assembled materials modeling is already reported in our previous work, here we focus on the prediction of new materials synthesized by low energy deposition and accumulation of AgCo clusters. It is found that the core-shell structure is preserved by deposition with energies typical of low energy cluster beam deposition, although deposition may induce substantial cluster deformation. In contrast with Ni3Al deposited cluster assemblies, no grain boundary between clusters survives deposition and the silver shells merge into a noncrystalline system with a layered structure, in which the fcc Co grains are embedded. To our knowledge, such a material has not yet been synthesized experimentally. Mechanical properties are discussed by confronting the behaviors of Ni3Al and AgCo under the effect of a uniaxial load. To this end, a molecular dynamics scheme is established in view of circumventing rate effects inherent to short term modeling and thereby allowing to examine large plastic deformation mechanisms. Although the mechanisms are different, large plastic deformations are found to improve the elastic properties of both the Ni3Al and AgCo systems by stabilizing their nanostructure. Beyond this improvement, when the load is further increased, the Ni3Al system displays reduced ductility while the AgCo system is superplastic. The superplasticity is explained by the fact that the layered structure of the Ag system is not modified by the deformation. Some coalescence of the Co grains is identified as a geometrical effect and is suggested to be a limiting factor to superplasticity.

H II REGIONS, EMBEDDED PROTOSTARS, AND STARLESS CORES IN SHARPLESS 2-157

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

Chen, Chian-Chou; Williams, Jonathan P.; Pandian, Jagadheep D., E-mail: ccchen@ifa.hawaii.edu, E-mail: jpw@ifa.hawaii.edu, E-mail: jagadheep@iist.ac.in

2012-06-20

We present arcsecond resolution 1.4 mm observations of the high-mass star-forming region, Sharpless 2-157, that reveal the cool dust associated with the first stages of star formation. These data are compared with archival images at optical, infrared, and radio wavelengths, and complemented with new arcsecond resolution mid-infrared data. We identify a dusty young H II region, numerous infrared sources within the cluster envelope, and four starless condensations. Three of the cores lie in a line to the south of the cluster peak, but the most massive one is right at the center and associated with a jumble of bright radiomore » and infrared sources. This presents an interesting juxtaposition of high- and low-mass star formation within the same cluster which we compare with similar observations of other high-mass star-forming regions and discuss in the context of cluster formation theory.« less

Migration in the shearing sheet and estimates for young open cluster migration

NASA Astrophysics Data System (ADS)

Quillen, Alice C.; Nolting, Eric; Minchev, Ivan; De Silva, Gayandhi; Chiappini, Cristina

2018-04-01

Using tracer particles embedded in self-gravitating shearing sheet N-body simulations, we investigate the distance in guiding centre radius that stars or star clusters can migrate in a few orbital periods. The standard deviations of guiding centre distributions and maximum migration distances depend on the Toomre or critical wavelength and the contrast in mass surface density caused by spiral structure. Comparison between our simulations and estimated guiding radii for a few young supersolar metallicity open clusters, including NGC 6583, suggests that the contrast in mass surface density in the solar neighbourhood has standard deviation (in the surface density distribution) divided by mean of about 1/4 and larger than measured using COBE data by Drimmel and Spergel. Our estimate is consistent with a standard deviation of ˜0.07 dex in the metallicities measured from high-quality spectroscopic data for 38 young open clusters (<1 Gyr) with mean galactocentric radius 7-9 kpc.

Analyzing the anodic reactions for iron surface with a porous Al2O3 cluster with the scanning vibrating electrode

NASA Astrophysics Data System (ADS)

Eliyan, Faysal Fayez

2017-09-01

The Scanning Vibrating Electrode Technique (SVET) was used to analyze the anodic reactions inside and around a porous Al2O3 cluster embedded onto an iron foil. The tests were carried out at -0.7 V vs. Saturated Calomel Electrode, in naturally aerated solutions of 0.1, 0.2, 0.35, and 0.5 M bicarbonate concentration. During 10 h of testing, the SVET showed evidence for a formation of a passive film in and around the cluster, in the scanning area shown in the graphical abstract. In the dilute 0.1 and 0.2 M solutions, the passive films formed slower than those in 0.35 and 0.5 M solutions. In the SVET maps, the passive films showed that they could suppress dissolution to currents comparable to those of slower dissolution under the porous Al2O3 cluster.

Identification of the Viridicatumtoxin and Griseofulvin Gene Clusters from Penicillium aethiopicum

PubMed Central

Chooi, Yit-Heng; Cacho, Ralph; Tang, Yi

2010-01-01

SUMMARY Penicillium aethiopicum produces two structurally interesting and biologically active polyketides: the tetracycline-like viridicatumtoxin 1 and the classic antifungal agent griseofulvin 2. Here, we report the concurrent discovery of the two corresponding biosynthetic gene clusters (vrt and gsf) by 454 shotgun sequencing. Gene deletions confirmed two nonreducing PKSs (NRPKS), vrtA and gsfA, are required for the biosynthesis of 1 and 2, respectively. Both PKSs share similar domain architectures and lack a C-terminal thioesterase domain. We identified gsfI as the chlorinase involved in the biosynthesis of 2, as deletion of gsfI resulted in the accumulation of decholorogriseofulvin 3. Comparative analysis with the P. chrysogenum genome revealed that both clusters are embedded within conserved syntenic regions of P. aethiopicum chromosomes. Discovery of the vrt and gsf clusters provided the basis for genetic and biochemical studies of the pathways. PMID:20534346

Extending Quantum Chemistry of Bound States to Electronic Resonances

NASA Astrophysics Data System (ADS)

Jagau, Thomas-C.; Bravaya, Ksenia B.; Krylov, Anna I.

2017-05-01

Electronic resonances are metastable states with finite lifetime embedded in the ionization or detachment continuum. They are ubiquitous in chemistry, physics, and biology. Resonances play a central role in processes as diverse as DNA radiolysis, plasmonic catalysis, and attosecond spectroscopy. This review describes novel equation-of-motion coupled-cluster (EOM-CC) methods designed to treat resonances and bound states on an equal footing. Built on complex-variable techniques such as complex scaling and complex absorbing potentials that allow resonances to be associated with a single eigenstate of the molecular Hamiltonian rather than several continuum eigenstates, these methods extend electronic-structure tools developed for bound states to electronic resonances. Selected examples emphasize the formal advantages as well as the numerical accuracy of EOM-CC in the treatment of electronic resonances. Connections to experimental observables such as spectra and cross sections, as well as practical aspects of implementing complex-valued approaches, are also discussed.

Inhomogeneity compensation for MR brain image segmentation using a multi-stage FCM-based approach.

PubMed

Szilágyi, László; Szilágyi, Sándor M; Dávid, László; Benyó, Zoltán

2008-01-01

Intensity inhomogeneity or intensity non-uniformity (INU) is an undesired phenomenon that represents the main obstacle for MR image segmentation and registration methods. Various techniques have been proposed to eliminate or compensate the INU, most of which are embedded into clustering algorithms. This paper proposes a multiple stage fuzzy c-means (FCM) based algorithm for the estimation and compensation of the slowly varying additive or multiplicative noise, supported by a pre-filtering technique for Gaussian and impulse noise elimination. The slowly varying behavior of the bias or gain field is assured by a smoothening filter that performs a context dependent averaging, based on a morphological criterion. The experiments using 2-D synthetic phantoms and real MR images show, that the proposed method provides accurate segmentation. The produced segmentation and fuzzy membership values can serve as excellent support for 3-D registration and segmentation techniques.

A new ATLAS muon CSC readout system with system on chip technology on ATCA platform

DOE PAGES

Claus, R.

2015-10-23

The ATLAS muon Cathode Strip Chamber (CSC) back-end readout system has been upgraded during the LHC 2013-2015 shutdown to be able to handle the higher Level-1 trigger rate of 100 kHz and the higher occupancy at Run 2 luminosity. The readout design is based on the Reconfiguration Cluster Element (RCE) concept for high bandwidth generic DAQ implemented on the ATCA platform. The RCE design is based on the new System on Chip Xilinx Zynq series with a processor-centric architecture with ARM processor embedded in FPGA fabric and high speed I/O resources together with auxiliary memories to form a versatile DAQmore » building block that can host applications tapping into both software and firmware resources. The Cluster on Board (COB) ATCA carrier hosts RCE mezzanines and an embedded Fulcrum network switch to form an online DAQ processing cluster. More compact firmware solutions on the Zynq for G-link, S-link and TTC allowed the full system of 320 G-links from the 32 chambers to be processed by 6 COBs in one ATCA shelf through software waveform feature extraction to output 32 S-links. Furthermore, the full system was installed in Sept. 2014. We will present the RCE/COB design concept, the firmware and software processing architecture, and the experience from the intense commissioning towards LHC Run 2.« less

A new ATLAS muon CSC readout system with system on chip technology on ATCA platform

NASA Astrophysics Data System (ADS)

Claus, R.; ATLAS Collaboration

2016-07-01

The ATLAS muon Cathode Strip Chamber (CSC) back-end readout system has been upgraded during the LHC 2013-2015 shutdown to be able to handle the higher Level-1 trigger rate of 100 kHz and the higher occupancy at Run 2 luminosity. The readout design is based on the Reconfiguration Cluster Element (RCE) concept for high bandwidth generic DAQ implemented on the ATCA platform. The RCE design is based on the new System on Chip Xilinx Zynq series with a processor-centric architecture with ARM processor embedded in FPGA fabric and high speed I/O resources together with auxiliary memories to form a versatile DAQ building block that can host applications tapping into both software and firmware resources. The Cluster on Board (COB) ATCA carrier hosts RCE mezzanines and an embedded Fulcrum network switch to form an online DAQ processing cluster. More compact firmware solutions on the Zynq for G-link, S-link and TTC allowed the full system of 320 G-links from the 32 chambers to be processed by 6 COBs in one ATCA shelf through software waveform feature extraction to output 32 S-links. The full system was installed in Sept. 2014. We will present the RCE/COB design concept, the firmware and software processing architecture, and the experience from the intense commissioning towards LHC Run 2.

A new ATLAS muon CSC readout system with system on chip technology on ATCA platform

NASA Astrophysics Data System (ADS)

Bartoldus, R.; Claus, R.; Garelli, N.; Herbst, R. T.; Huffer, M.; Iakovidis, G.; Iordanidou, K.; Kwan, K.; Kocian, M.; Lankford, A. J.; Moschovakos, P.; Nelson, A.; Ntekas, K.; Ruckman, L.; Russell, J.; Schernau, M.; Schlenker, S.; Su, D.; Valderanis, C.; Wittgen, M.; Yildiz, S. C.

2016-01-01

The ATLAS muon Cathode Strip Chamber (CSC) backend readout system has been upgraded during the LHC 2013-2015 shutdown to be able to handle the higher Level-1 trigger rate of 100 kHz and the higher occupancy at Run-2 luminosity. The readout design is based on the Reconfigurable Cluster Element (RCE) concept for high bandwidth generic DAQ implemented on the Advanced Telecommunication Computing Architecture (ATCA) platform. The RCE design is based on the new System on Chip XILINX ZYNQ series with a processor-centric architecture with ARM processor embedded in FPGA fabric and high speed I/O resources. Together with auxiliary memories, all these components form a versatile DAQ building block that can host applications tapping into both software and firmware resources. The Cluster on Board (COB) ATCA carrier hosts RCE mezzanines and an embedded Fulcrum network switch to form an online DAQ processing cluster. More compact firmware solutions on the ZYNQ for high speed input and output fiberoptic links and TTC allowed the full system of 320 input links from the 32 chambers to be processed by 6 COBs in one ATCA shelf. The full system was installed in September 2014. We will present the RCE/COB design concept, the firmware and software processing architecture, and the experience from the intense commissioning for LHC Run 2.

A new ATLAS muon CSC readout system with system on chip technology on ATCA platform

DOE PAGES

Bartoldus, R.; Claus, R.; Garelli, N.; ...

2016-01-25

The ATLAS muon Cathode Strip Chamber (CSC) backend readout system has been upgraded during the LHC 2013-2015 shutdown to be able to handle the higher Level-1 trigger rate of 100 kHz and the higher occupancy at Run-2 luminosity. The readout design is based on the Reconfigurable Cluster Element (RCE) concept for high bandwidth generic DAQ implemented on the Advanced Telecommunication Computing Architecture (ATCA) platform. The RCE design is based on the new System on Chip XILINX ZYNQ series with a processor-centric architecture with ARM processor embedded in FPGA fabric and high speed I/O resources. Together with auxiliary memories, all ofmore » these components form a versatile DAQ building block that can host applications tapping into both software and firmware resources. The Cluster on Board (COB) ATCA carrier hosts RCE mezzanines and an embedded Fulcrum network switch to form an online DAQ processing cluster. More compact firmware solutions on the ZYNQ for high speed input and output fiberoptic links and TTC allowed the full system of 320 input links from the 32 chambers to be processed by 6 COBs in one ATCA shelf. The full system was installed in September 2014. In conclusion, we will present the RCE/COB design concept, the firmware and software processing architecture, and the experience from the intense commissioning for LHC Run 2.« less

Dynamics of Fractal Cluster Gels with Embedded Active Colloids

NASA Astrophysics Data System (ADS)

Szakasits, Megan E.; Zhang, Wenxuan; Solomon, Michael J.

2017-08-01

We find that embedded active colloids increase the ensemble-averaged mean squared displacement of particles in otherwise passively fluctuating fractal cluster gels. The enhancement in dynamics occurs by a mechanism in which the active colloids contribute to the average dynamics both directly through their own active motion and indirectly through their excitation of neighboring passive colloids in the fractal network. Fractal cluster gels are synthesized by addition of magnesium chloride to an initially stable suspension of 1.0 μ m polystyrene colloids in which a dilute concentration of platinum coated Janus colloids has been dispersed. The Janus colloids are thereby incorporated into the fractal network. We measure the ensemble-averaged mean squared displacement of all colloids in the gel before and after the addition of hydrogen peroxide, a fuel that drives diffusiophoretic motion of the Janus particles. The gel mean squared displacement increases by up to a factor of 3 for an active to passive particle ratio of 1 ∶20 and inputted active energy—defined based on the hydrogen peroxide's effect on colloid swim speed and run length—that is up to 9.5 times thermal energy, on a per particle basis. We model the enhancement in gel particle dynamics as the sum of a direct contribution from the displacement of the Janus particles themselves and an indirect contribution from the strain field that the active colloids induce in the surrounding passive particles.

IN-SYNC. II. Virial Stars from Subvirial Cores—the Velocity Dispersion of Embedded Pre-main-sequence Stars in NGC 1333

NASA Astrophysics Data System (ADS)

Foster, Jonathan B.; Cottaar, Michiel; Covey, Kevin R.; Arce, Héctor G.; Meyer, Michael R.; Nidever, David L.; Stassun, Keivan G.; Tan, Jonathan C.; Chojnowski, S. Drew; da Rio, Nicola; Flaherty, Kevin M.; Rebull, Luisa; Frinchaboy, Peter M.; Majewski, Steven R.; Skrutskie, Michael; Wilson, John C.; Zasowski, Gail

2015-02-01

The initial velocity dispersion of newborn stars is a major unconstrained aspect of star formation theory. Using near-infrared spectra obtained with the APOGEE spectrograph, we show that the velocity dispersion of young (1-2 Myr) stars in NGC 1333 is 0.92 ± 0.12 km s-1 after correcting for measurement uncertainties and the effect of binaries. This velocity dispersion is consistent with the virial velocity of the region and the diffuse gas velocity dispersion, but significantly larger than the velocity dispersion of the dense, star-forming cores, which have a subvirial velocity dispersion of 0.5 km s-1. Since the NGC 1333 cluster is dynamically young and deeply embedded, this measurement provides a strong constraint on the initial velocity dispersion of newly formed stars. We propose that the difference in velocity dispersion between stars and dense cores may be due to the influence of a 70 μG magnetic field acting on the dense cores or be the signature of a cluster with initial substructure undergoing global collapse.

Steganalysis feature improvement using expectation maximization

NASA Astrophysics Data System (ADS)

Rodriguez, Benjamin M.; Peterson, Gilbert L.; Agaian, Sos S.

2007-04-01

Images and data files provide an excellent opportunity for concealing illegal or clandestine material. Currently, there are over 250 different tools which embed data into an image without causing noticeable changes to the image. From a forensics perspective, when a system is confiscated or an image of a system is generated the investigator needs a tool that can scan and accurately identify files suspected of containing malicious information. The identification process is termed the steganalysis problem which focuses on both blind identification, in which only normal images are available for training, and multi-class identification, in which both the clean and stego images at several embedding rates are available for training. In this paper an investigation of a clustering and classification technique (Expectation Maximization with mixture models) is used to determine if a digital image contains hidden information. The steganalysis problem is for both anomaly detection and multi-class detection. The various clusters represent clean images and stego images with between 1% and 10% embedding percentage. Based on the results it is concluded that the EM classification technique is highly suitable for both blind detection and the multi-class problem.

EMBEDDED LENSING TIME DELAYS, THE FERMAT POTENTIAL, AND THE INTEGRATED SACHS–WOLFE EFFECT

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

Chen, Bin; Kantowski, Ronald; Dai, Xinyu, E-mail: bchen3@fsu.edu

2015-05-01

We derive the Fermat potential for a spherically symmetric lens embedded in a Friedman–Lemaître–Robertson–Walker cosmology and use it to investigate the late-time integrated Sachs–Wolfe (ISW) effect, i.e., secondary temperature fluctuations in the cosmic microwave background (CMB) caused by individual large-scale clusters and voids. We present a simple analytical expression for the temperature fluctuation in the CMB across such a lens as a derivative of the lens’ Fermat potential. This formalism is applicable to both linear and nonlinear density evolution scenarios, to arbitrarily large density contrasts, and to all open and closed background cosmologies. It is much simpler to use andmore » makes the same predictions as conventional approaches. In this approach the total temperature fluctuation can be split into a time-delay part and an evolutionary part. Both parts must be included for cosmic structures that evolve and both can be equally important. We present very simple ISW models for cosmic voids and galaxy clusters to illustrate the ease of use of our formalism. We use the Fermat potentials of simple cosmic void models to compare predicted ISW effects with those recently extracted from WMAP and Planck data by stacking large cosmic voids using the aperture photometry method. If voids in the local universe with large density contrasts are no longer evolving we find that the time delay contribution alone predicts values consistent with the measurements. However, we find that for voids still evolving linearly, the evolutionary contribution cancels a significant part of the time delay contribution and results in predicted signals that are much smaller than recently observed.« less

The impact of decision aids to enhance shared decision making for diabetes (the DAD study): protocol of a cluster randomized trial.

PubMed

LeBlanc, Annie; Ruud, Kari L; Branda, Megan E; Tiedje, Kristina; Boehmer, Kasey R; Pencille, Laurie J; Van Houten, Holly; Matthews, Marc; Shah, Nilay D; May, Carl R; Yawn, Barbara P; Montori, Victor M

2012-05-28

Shared decision making contributes to high quality healthcare by promoting a patient-centered approach. Patient involvement in selecting the components of a diabetes medication program that best match the patient's values and preferences may also enhance medication adherence and improve outcomes. Decision aids are tools designed to involve patients in shared decision making, but their adoption in practice has been limited. In this study, we propose to obtain a preliminary estimate of the impact of patient decision aids vs. usual care on measures of patient involvement in decision making, diabetes care processes, medication adherence, glycemic and cardiovascular risk factor control, and resource utilization. In addition, we propose to identify, describe, and explain factors that promote or inhibit the routine embedding of decision aids in practice. We will be conducting a mixed-methods study comprised of a cluster-randomized, practical, multicentered trial enrolling clinicians and their patients (n = 240) with type 2 diabetes from rural and suburban primary care practices (n = 8), with an embedded qualitative study to examine factors that influence the incorporation of decision aids into routine practice. The intervention will consist of the use of a decision aid (Statin Choice and Aspirin Choice, or Diabetes Medication Choice) during the clinical encounter. The qualitative study will include analysis of video recordings of clinical encounters and in-depth, semi-structured interviews with participating patients, clinicians, and clinic support staff, in both trial arms. Upon completion of this trial, we will have new knowledge about the effectiveness of diabetes decision aids in these practices. We will also better understand the factors that promote or inhibit the successful implementation and normalization of medication choice decision aids in the care of chronic patients in primary care practices. NCT00388050.

Interpreting semantic clustering effects in free recall.

PubMed

Manning, Jeremy R; Kahana, Michael J

2012-07-01

The order in which participants choose to recall words from a studied list of randomly selected words provides insights into how memories of the words are represented, organised, and retrieved. One pervasive finding is that when a pair of semantically related words (e.g., "cat" and "dog") is embedded in the studied list, the related words are often recalled successively. This tendency to successively recall semantically related words is termed semantic clustering (Bousfield, 1953; Bousfield & Sedgewick, 1944; Cofer, Bruce, & Reicher, 1966). Measuring semantic clustering effects requires making assumptions about which words participants consider to be similar in meaning. However, it is often difficult to gain insights into individual participants' internal semantic models, and for this reason researchers typically rely on standardised semantic similarity metrics. Here we use simulations to gain insights into the expected magnitudes of semantic clustering effects given systematic differences between participants' internal similarity models and the similarity metric used to quantify the degree of semantic clustering. Our results provide a number of useful insights into the interpretation of semantic clustering effects in free recall.

Branching points in the low-temperature dipolar hard sphere fluid

NASA Astrophysics Data System (ADS)

Rovigatti, Lorenzo; Kantorovich, Sofia; Ivanov, Alexey O.; Tavares, José Maria; Sciortino, Francesco

2013-10-01

In this contribution, we investigate the low-temperature, low-density behaviour of dipolar hard-sphere (DHS) particles, i.e., hard spheres with dipoles embedded in their centre. We aim at describing the DHS fluid in terms of a network of chains and rings (the fundamental clusters) held together by branching points (defects) of different nature. We first introduce a systematic way of classifying inter-cluster connections according to their topology, and then employ this classification to analyse the geometric and thermodynamic properties of each class of defects, as extracted from state-of-the-art equilibrium Monte Carlo simulations. By computing the average density and energetic cost of each defect class, we find that the relevant contribution to inter-cluster interactions is indeed provided by (rare) three-way junctions and by four-way junctions arising from parallel or anti-parallel locally linear aggregates. All other (numerous) defects are either intra-cluster or associated to low cluster-cluster interaction energies, suggesting that these defects do not play a significant part in the thermodynamic description of the self-assembly processes of dipolar hard spheres.

Active galactic nuclei. IV - Supplying black hole clusters by tidal disruption and by tidal capture of stars

NASA Technical Reports Server (NTRS)

Stoeger, W. R.; Pacholczyk, A. G.; Stepinski, T. F.

1992-01-01

The extent to which individual holes in a cluster of black holes with a mass spectrum can liberate and accrete the resulting material by tidally disrupting stars they encounter, or by capturing stars as binary companions is studied. It is found that the smaller black holes in 'the halo' of such clusters can adequately supply themselves to the level M-dot sub h or greater than 0.0001(M-dot sub h) sub crit, and up to 0.05(M-dot sub h)sub crit for the smallest holes, by tidal disruption, as long as the cluster is embedded in a distribution of stars of relatively high density (not less than 0.1M sub cl/cu pc), and as long as the entire cluster of stars is not too compact (not less than 0.5 pc). Consideration is given to modifications this 'internal' mode of supply introduces in the spectrum emitted by such black hole clusters, and to the current status of their viability as models for AGN and QSOs in light of dynamical studies by Quinlan and Shapiro (1987, 1989).

Weak lensing study of 16 DAFT/FADA clusters: Substructures and filaments

NASA Astrophysics Data System (ADS)

Martinet, Nicolas; Clowe, Douglas; Durret, Florence; Adami, Christophe; Acebrón, Ana; Hernandez-García, Lorena; Márquez, Isabel; Guennou, Loic; Sarron, Florian; Ulmer, Mel

2016-05-01

While our current cosmological model places galaxy clusters at the nodes of a filament network (the cosmic web), we still struggle to detect these filaments at high redshifts. We perform a weak lensing study for a sample of 16 massive, medium-high redshift (0.4

The optical properties of galaxies in the Ophiuchus cluster

NASA Astrophysics Data System (ADS)

Durret, F.; Wakamatsu, K.; Adami, C.; Nagayama, T.; Omega Muleka Mwewa Mwaba, J. M.

2018-05-01

Context. Ophiuchus is one of the most massive clusters known, but due to its low Galactic latitude its optical properties remain poorly known. Aims: We investigate the optical properties of Ophiuchus to obtain clues on the formation epoch of this cluster, and compare them to those of the Coma cluster, which is comparable in mass to Ophiuchus but much more dynamically disturbed. Methods: Based on a deep image of the Ophiuchus cluster in the r' band obtained at the Canada France Hawaii Telescope with the MegaCam camera, we have applied an iterative process to subtract the contribution of the numerous stars that, due to the low Galactic latitude of the cluster, pollute the image, and have obtained a photometric catalogue of 2818 galaxies fully complete at r' = 20.5 mag and still 91% complete at r' = 21.5 mag. We use this catalogue to derive the cluster Galaxy Luminosity Function (GLF) for the overall image and for a region (hereafter the "rectangle" region) covering exactly the same physical size as the region in which the GLF of the Coma cluster was previously studied. We then compute density maps based on an adaptive kernel technique, for different magnitude limits, and define three circular regions covering 0.08, 0.08, and 0.06 deg2, respectively, centred on the cluster (C), on northwest (NW) of the cluster, and southeast (SE) of the cluster, in which we compute the GLFs. Results: The GLF fits are much better when a Gaussian is added to the usual Schechter function, to account for the excess of very bright galaxies. Compared to Coma, Ophiuchus shows a strong excess of bright galaxies. Conclusions: The properties of the two nearby very massive clusters Ophiuchus and Coma are quite comparable, though they seem embedded in different large-scale environments. Our interpretation is that Ophiuchus was built up long ago, as confirmed by its relaxed state (see paper I) while Coma is still in the process of forming. The photometric catalogue of Ophiuchus (full Table B.1) is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/613/A20

Brief Report: Clustered Forward Chaining with Embedded Mastery Probes to Teach Recipe Following.

PubMed

Chazin, Kate T; Bartelmay, Danielle N; Lambert, Joseph M; Houchins-Juárez, Nealetta J

2017-04-01

This study evaluated the effectiveness of a clustered forward chaining (CFC) procedure to teach a 23-year-old male with autism to follow written recipes. CFC incorporates elements of forward chaining (FC) and total task chaining (TTC) by teaching a small number of steps (i.e., units) using TTC, introducing new units sequentially (akin to FC), and prompting through untrained steps. Results indicated that CFC was effective for teaching the participant to follow written recipes. Results maintained with therapist support for 3-5 weeks for all recipes, and maintained when therapist support was removed.

Further Structural Intelligence for Sensors Cluster Technology in Manufacturing

PubMed Central

Mekid, Samir

2006-01-01

With the ever increasing complex sensing and actuating tasks in manufacturing plants, intelligent sensors cluster in hybrid networks becomes a rapidly expanding area. They play a dominant role in many fields from macro and micro scale. Global object control and the ability to self organize into fault-tolerant and scalable systems are expected for high level applications. In this paper, new structural concepts of intelligent sensors and networks with new intelligent agents are presented. Embedding new functionalities to dynamically manage cooperative agents for autonomous machines are interesting key enabling technologies most required in manufacturing for zero defects production.

Concept and simulation study of a novel localization method for robotic endoscopic capsules using multiple positron emission markers

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

Than, Trung Duc, E-mail: dtt581@uowmail.edu.au; Alici, Gursel, E-mail: gursel@uow.edu.au; Zhou, Hao, E-mail: hz467@uowmail.edu.au

2014-07-15

Purpose: Over the last decade, wireless capsule endoscope has been the tool of choice for noninvasive inspection of the gastrointestinal tract, especially in the small intestine. However, the latest clinical products have not been equipped with a sufficiently accurate localization system which makes it difficult to determine the location of intestinal abnormalities, and to apply follow-up interventions such as biopsy or drug delivery. In this paper, the authors present a novel localization method based on tracking three positron emission markers embedded inside an endoscopic capsule. Methods: Three spherical {sup 22}Na markers with diameters of less than 1 mm are embeddedmore » in the cover of the capsule. Gamma ray detectors are arranged around a patient body to detect coincidence gamma rays emitted from the three markers. The position of each marker can then be estimated using the collected data by the authors’ tracking algorithm which consists of four consecutive steps: a method to remove corrupted data, an initialization method, a clustering method based on the Fuzzy C-means clustering algorithm, and a failure prediction method. Results: The tracking algorithm has been implemented inMATLAB utilizing simulation data generated from the Geant4 Application for Emission Tomography toolkit. The results show that this localization method can achieve real-time tracking with an average position error of less than 0.4 mm and an average orientation error of less than 2°. Conclusions: The authors conclude that this study has proven the feasibility and potential of the proposed technique in effectively determining the position and orientation of a robotic endoscopic capsule.« less

The data embedding method

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

Sandford, M.T. II; Bradley, J.N.; Handel, T.G.

Data embedding is a new steganographic method for combining digital information sets. This paper describes the data embedding method and gives examples of its application using software written in the C-programming language. Sandford and Handel produced a computer program (BMPEMBED, Ver. 1.51 written for IBM PC/AT or compatible, MS/DOS Ver. 3.3 or later) that implements data embedding in an application for digital imagery. Information is embedded into, and extracted from, Truecolor or color-pallet images in Microsoft{reg_sign} bitmap (.BMP) format. Hiding data in the noise component of a host, by means of an algorithm that modifies or replaces the noise bits,more » is termed {open_quote}steganography.{close_quote} Data embedding differs markedly from conventional steganography, because it uses the noise component of the host to insert information with few or no modifications to the host data values or their statistical properties. Consequently, the entropy of the host data is affected little by using data embedding to add information. The data embedding method applies to host data compressed with transform, or {open_quote}lossy{close_quote} compression algorithms, as for example ones based on discrete cosine transform and wavelet functions. Analysis of the host noise generates a key required for embedding and extracting the auxiliary data from the combined data. The key is stored easily in the combined data. Images without the key cannot be processed to extract the embedded information. To provide security for the embedded data, one can remove the key from the combined data and manage it separately. The image key can be encrypted and stored in the combined data or transmitted separately as a ciphertext much smaller in size than the embedded data. The key size is typically ten to one-hundred bytes, and it is in data an analysis algorithm.« less

Data embedding method

NASA Astrophysics Data System (ADS)

Sandford, Maxwell T., II; Bradley, Jonathan N.; Handel, Theodore G.

1996-01-01

Data embedding is a new steganographic method for combining digital information sets. This paper describes the data embedding method and gives examples of its application using software written in the C-programming language. Sandford and Handel produced a computer program (BMPEMBED, Ver. 1.51 written for IBM PC/AT or compatible, MS/DOS Ver. 3.3 or later) that implements data embedding in an application for digital imagery. Information is embedded into, and extracted from, Truecolor or color-pallet images in MicrosoftTM bitmap (BMP) format. Hiding data in the noise component of a host, by means of an algorithm that modifies or replaces the noise bits, is termed `steganography.' Data embedding differs markedly from conventional steganography, because it uses the noise component of the host to insert information with few or no modifications to the host data values or their statistical properties. Consequently, the entropy of the host data is affected little by using data embedding to add information. The data embedding method applies to host data compressed with transform, or `lossy' compression algorithms, as for example ones based on discrete cosine transform and wavelet functions. Analysis of the host noise generates a key required for embedding and extracting the auxiliary data from the combined data. The key is stored easily in the combined data. Images without the key cannot be processed to extract the embedded information. To provide security for the embedded data, one can remove the key from the combined data and manage it separately. The image key can be encrypted and stored in the combined data or transmitted separately as a ciphertext much smaller in size than the embedded data. The key size is typically ten to one-hundred bytes, and it is derived from the original host data by an analysis algorithm.

Energy and charge transfer in ionized argon coated water clusters.

PubMed

Kočišek, J; Lengyel, J; Fárník, M; Slavíček, P

2013-12-07

We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H2O)n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar(+) and water occurs above the threshold; at higher electron energies above ~28 eV, an excitonic transfer process between Ar(+)* and water opens leading to new products Ar(n)H(+) and (H2O)(n)H(+). On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H2O)(n)H2(2+) and (H2O)(n)(2+) ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

Hierarchical Aligned Cluster Analysis for Temporal Clustering of Human Motion.

PubMed

Zhou, Feng; De la Torre, Fernando; Hodgins, Jessica K

2013-03-01

Temporal segmentation of human motion into plausible motion primitives is central to understanding and building computational models of human motion. Several issues contribute to the challenge of discovering motion primitives: the exponential nature of all possible movement combinations, the variability in the temporal scale of human actions, and the complexity of representing articulated motion. We pose the problem of learning motion primitives as one of temporal clustering, and derive an unsupervised hierarchical bottom-up framework called hierarchical aligned cluster analysis (HACA). HACA finds a partition of a given multidimensional time series into m disjoint segments such that each segment belongs to one of k clusters. HACA combines kernel k-means with the generalized dynamic time alignment kernel to cluster time series data. Moreover, it provides a natural framework to find a low-dimensional embedding for time series. HACA is efficiently optimized with a coordinate descent strategy and dynamic programming. Experimental results on motion capture and video data demonstrate the effectiveness of HACA for segmenting complex motions and as a visualization tool. We also compare the performance of HACA to state-of-the-art algorithms for temporal clustering on data of a honey bee dance. The HACA code is available online.

Optimization of self-interstitial clusters in 3C-SiC with genetic algorithm

NASA Astrophysics Data System (ADS)

Ko, Hyunseok; Kaczmarowski, Amy; Szlufarska, Izabela; Morgan, Dane

2017-08-01

Under irradiation, SiC develops damage commonly referred to as black spot defects, which are speculated to be self-interstitial atom clusters. To understand the evolution of these defect clusters and their impacts (e.g., through radiation induced swelling) on the performance of SiC in nuclear applications, it is important to identify the cluster composition, structure, and shape. In this work the genetic algorithm code StructOpt was utilized to identify groundstate cluster structures in 3C-SiC. The genetic algorithm was used to explore clusters of up to ∼30 interstitials of C-only, Si-only, and Si-C mixtures embedded in the SiC lattice. We performed the structure search using Hamiltonians from both density functional theory and empirical potentials. The thermodynamic stability of clusters was investigated in terms of their composition (with a focus on Si-only, C-only, and stoichiometric) and shape (spherical vs. planar), as a function of the cluster size (n). Our results suggest that large Si-only clusters are likely unstable, and clusters are predominantly C-only for n ≤ 10 and stoichiometric for n > 10. The results imply that there is an evolution of the shape of the most stable clusters, where small clusters are stable in more spherical geometries while larger clusters are stable in more planar configurations. We also provide an estimated energy vs. size relationship, E(n), for use in future analysis.

Molecular dynamics study of the melting of a supported 887-atom Pd decahedron.

PubMed

Schebarchov, D; Hendy, S C; Polak, W

2009-04-08

We employ classical molecular dynamics simulations to investigate the melting behaviour of a decahedral Pd(887) cluster on a single layer of graphite (graphene). The interaction between Pd atoms is modelled with an embedded-atom potential, while the adhesion of Pd atoms to the substrate is approximated with a Lennard-Jones potential. We find that the decahedral structure persists at temperatures close to the melting point, but that just below the melting transition, the cluster accommodates to the substrate by means of complete melting and then recrystallization into an fcc structure. These structural changes are in qualitative agreement with recently proposed models, and they verify the existence of an energy barrier preventing softly deposited clusters from 'wetting' the substrate at temperatures below the melting point.

An RBF-FD closest point method for solving PDEs on surfaces

NASA Astrophysics Data System (ADS)

Petras, A.; Ling, L.; Ruuth, S. J.

2018-10-01

Partial differential equations (PDEs) on surfaces appear in many applications throughout the natural and applied sciences. The classical closest point method (Ruuth and Merriman (2008) [17]) is an embedding method for solving PDEs on surfaces using standard finite difference schemes. In this paper, we formulate an explicit closest point method using finite difference schemes derived from radial basis functions (RBF-FD). Unlike the orthogonal gradients method (Piret (2012) [22]), our proposed method uses RBF centers on regular grid nodes. This formulation not only reduces the computational cost but also avoids the ill-conditioning from point clustering on the surface and is more natural to couple with a grid based manifold evolution algorithm (Leung and Zhao (2009) [26]). When compared to the standard finite difference discretization of the closest point method, the proposed method requires a smaller computational domain surrounding the surface, resulting in a decrease in the number of sampling points on the surface. In addition, higher-order schemes can easily be constructed by increasing the number of points in the RBF-FD stencil. Applications to a variety of examples are provided to illustrate the numerical convergence of the method.

Endohedral gallide cluster superconductors and superconductivity in ReGa5

PubMed Central

Xie, Weiwei; Luo, Huixia; Phelan, Brendan F.; Klimczuk, Tomasz; Cevallos, Francois Alexandre; Cava, Robert Joseph

2015-01-01

We present transition metal-embedded (T@Gan) endohedral Ga-clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2Ga9 are all previously known superconductors. The well-known exotic superconductor PuCoGa5 and related phases are also members of this endohedral gallide cluster family. We show that electron-deficient compounds like Mo8Ga41 prefer architectures with vertex-sharing gallium clusters, whereas electron-rich compounds, like PdGa5, prefer edge-sharing cluster architectures. The superconducting transition temperatures are highest for the electron-poor, corner-sharing architectures. Based on this analysis, the previously unknown endohedral cluster compound ReGa5 is postulated to exist at an intermediate electron count and a mix of corner sharing and edge sharing cluster architectures. The empirical prediction is shown to be correct and leads to the discovery of superconductivity in ReGa5. The Fermi levels for endohedral gallide cluster compounds are located in deep pseudogaps in the electronic densities of states, an important factor in determining their chemical stability, while at the same time limiting their superconducting transition temperatures. PMID:26644566

Metallic-nanoparticles-enhanced fluorescence from individual micron-sized aerosol particles on-the-fly.

PubMed

Sivaprakasam, Vasanthi; Hart, Matthew B; Jain, Vaibhav; Eversole, Jay D

2014-08-11

Fluorescence spectra from individual aerosol particles that were either coated or embedded with metallic nanoparticles (MNPs) was acquired on-the-fly using 266 nm and 355 nm excitation. Using aqueous suspensions of MNPs with either polystyrene latex (PSL) spheres or dissolved proteins (tryptophan or ovalbumin), we generated PSL spheres coated with MNPs, or protein clusters embedded with MNPs as aerosols. Both enhanced and quenched fluorescence intensities were observed as a function of MNP concentration. Optimizing MNP material, size and spacing should yield enhanced sensitivity for specific aerosol materials that could be exploited to improve detection limits of single-particle, on-the-fly fluorescence or Raman based spectroscopic sensors.

Globular cluster formation with multiple stellar populations from hierarchical star cluster complexes

NASA Astrophysics Data System (ADS)

Bekki, Kenji

2017-05-01

Most old globular clusters (GCs) in the Galaxy are observed to have internal chemical abundance spreads in light elements. We discuss a new GC formation scenario based on hierarchical star formation within fractal molecular clouds. In the new scenario, a cluster of bound and unbound star clusters ('star cluster complex', SCC) that have a power-law cluster mass function with a slope (β) of 2 is first formed from a massive gas clump developed in a dwarf galaxy. Such cluster complexes and β = 2 are observed and expected from hierarchical star formation. The most massive star cluster ('main cluster'), which is the progenitor of a GC, can accrete gas ejected from asymptotic giant branch (AGB) stars initially in the cluster and other low-mass clusters before the clusters are tidally stripped or destroyed to become field stars in the dwarf. The SCC is initially embedded in a giant gas hole created by numerous supernovae of the SCC so that cold gas outside the hole can be accreted on to the main cluster later. New stars formed from the accreted gas have chemical abundances that are different from those of the original SCC. Using hydrodynamical simulations of GC formation based on this scenario, we show that the main cluster with the initial mass as large as [2-5] × 105 M⊙ can accrete more than 105 M⊙ gas from AGB stars of the SCC. We suggest that merging of hierarchical SSCs can play key roles in stellar halo formation around GCs and self-enrichment processes in the early phase of GC formation.

Ionized Gas Motions and the Structure of Feedback near a Forming Globular Cluster in NGC 5253

NASA Astrophysics Data System (ADS)

Cohen, Daniel P.; Turner, Jean L.; Consiglio, S. Michelle; Martin, Emily C.; Beck, Sara C.

2018-06-01

We observed Brackett α 4.05 μm emission toward the supernebula in NGC 5253 with NIRSPEC on Keck II in adaptive optics mode, NIRSPAO, to probe feedback from its exciting embedded super star cluster (SSC). NIRSPEC's Slit-viewing Camera was simultaneously used to image the K-band continuum at ∼0.″1 resolution. We register the IR continuum with HST imaging, and find that the visible clusters are offset from the K-band peak, which coincides with the Brα peak of the supernebula and its associated molecular cloud. The spectra of the supernebula exhibit Brα emission with a strong, narrow core. The linewidths are 65–76 km s‑1, FWHM, comparable to those around individual ultra-compact H II regions within our Galaxy. A weak, broad (FWHM ≃ 150–175 km s‑1) component is detected on the base of the line, which could trace a population of sources with high-velocity winds. The core velocity of Brα emission shifts by +13 km s‑1 from NE to SW across the supernebula, possibly indicating a bipolar outflow from an embedded object or a link to a foreground redshifted gas filament. The results can be explained if the supernebula comprises thousands of ionized wind regions around individual massive stars, stalled in their expansion due to critical radiative cooling and unable to merge to drive a coherent cluster wind. Based on the absence of an outflow with large mass loss, we conclude that feedback is currently ineffective at dispersing gas, and the SSC retains enriched material out of which it may continue to form stars.

H{sub 2} MOLECULAR CLUSTERS WITH EMBEDDED MOLECULES AND ATOMS AS THE SOURCE OF THE DIFFUSE INTERSTELLAR BANDS

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

Bernstein, L. S.; Clark, F. O.; Lynch, D. K., E-mail: larry@spectral.com, E-mail: dave@thulescientific.com

2013-05-01

We suggest that the diffuse interstellar bands (DIBs) arise from absorption lines of electronic transitions in molecular clusters primarily composed of a single molecule, atom, or ion ({sup s}eed{sup )}, embedded in a single-layer shell of H{sub 2} molecules. Less abundant variants of the cluster, including two seed molecules and/or a two-layer shell of H{sub 2} molecules, may also occur. The lines are broadened, blended, and wavelength-shifted by interactions between the seed and surrounding H{sub 2} shell. We refer to these clusters as contaminated H{sub 2} clusters (CHCs). We show that CHC spectroscopy matches the diversity of observed DIB spectralmore » profiles and provides good fits to several DIB profiles based on a rotational temperature of 10 K. CHCs arise from {approx}centimeter-sized, dirty H{sub 2} ice balls, called contaminated H{sub 2} ice macro-particles (CHIMPs), formed in cold, dense, giant molecular clouds (GMCs), and later released into the interstellar medium (ISM) upon GMC disruption. Attractive interactions, arising from Van der Waals and ion-induced dipole potentials, between the seeds and H{sub 2} molecules enable CHIMPs to attain centimeter-sized dimensions. When an ultraviolet (UV) photon is absorbed in the outer layer of a CHIMP, it heats the icy matrix and expels CHCs into the ISM. While CHCs are quickly destroyed by absorbing UV photons, they are replenished by the slowly eroding CHIMPs. Since CHCs require UV photons for their release, they are most abundant at, but not limited to, the edges of UV-opaque molecular clouds, consistent with the observed, preferred location of DIBs. An inherent property of CHCs, which can be characterized as nanometer size, spinning, dipolar dust grains, is that they emit in the radio-frequency region. We also show that the CHCs offer a natural explanation for the anomalous microwave emission feature in the {approx}10-100 GHz spectral region.« less

Formation of Very Young Massive Clusters and Implications for Globular Clusters

NASA Astrophysics Data System (ADS)

Banerjee, Sambaran; Kroupa, Pavel

How Very Young Massive star Clusters (VYMCs; also known as "starburst" clusters), which typically are of ≳ 104 M ⊙ and are a few Myr old, form out of Giant Molecular Clouds is still largely an open question. Increasingly detailed observations of young star clusters and star-forming molecular clouds and computational studies provide clues about their formation scenarios and the underlying physical processes involved. This chapter is focused on reviewing the decade-long studies that attempt to computationally reproduce the well-observed nearby VYMCs, such as the Orion Nebula Cluster, R136 and NGC 3603 young cluster, thereby shedding light on birth conditions of massive star clusters, in general. On this regard, focus is given on direct N-body modelling of real-sized massive star clusters, with a monolithic structure and undergoing residual gas expulsion, which have consistently reproduced the observed characteristics of several VYMCs and also of young star clusters, in general. The connection of these relatively simplified model calculations with the structural richness of dense molecular clouds and the complexity of hydrodynamic calculations of star cluster formation is presented in detail. Furthermore, the connections of such VYMCs with globular clusters, which are nearly as old as our Universe, is discussed. The chapter is concluded by addressing long-term deeply gas-embedded (at least apparently) and substructured systems like W3 Main. While most of the results are quoted from existing and up-to-date literature, in an integrated fashion, several new insights and discussions are provided.

Probing Globular Cluster Formation in Low Metallicity Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Johnson, Kelsey E.; Hunt, Leslie K.; Reines, Amy E.

2008-12-01

The ubiquitous presence of globular clusters around massive galaxies today suggests that these extreme star clusters must have been formed prolifically in the earlier universe in low-metallicity galaxies. Numerous adolescent and massive star clusters are already known to be present in a variety of galaxies in the local universe; however most of these systems have metallicities of 12 + log(O/H) > 8, and are thus not representative of the galaxies in which today's ancient globular clusters were formed. In order to better understand the formation and evolution of these massive clusters in environments with few heavy elements, we have targeted several low-metallicity dwarf galaxies with radio observations, searching for newly-formed massive star clusters still embedded in their birth material. The galaxies in this initial study are HS 0822+3542, UGC 4483, Pox 186, and SBS 0335-052, all of which have metallicities of 12 + log(O/H) < 7.75. While no thermal radio sources, indicative of natal massive star clusters, are found in three of the four galaxies, SBS 0335-052 hosts two such objects, which are incredibly luminous. The radio spectral energy distributions of these intense star-forming regions in SBS 0335-052 suggest the presence of ~12,000 equivalent O-type stars, and the implied star formation rate is nearing the maximum starburst intensity limit.

Discriminative graph embedding for label propagation.

PubMed

Nguyen, Canh Hao; Mamitsuka, Hiroshi

2011-09-01

In many applications, the available information is encoded in graph structures. This is a common problem in biological networks, social networks, web communities and document citations. We investigate the problem of classifying nodes' labels on a similarity graph given only a graph structure on the nodes. Conventional machine learning methods usually require data to reside in some Euclidean spaces or to have a kernel representation. Applying these methods to nodes on graphs would require embedding the graphs into these spaces. By embedding and then learning the nodes on graphs, most methods are either flexible with different learning objectives or efficient enough for large scale applications. We propose a method to embed a graph into a feature space for a discriminative purpose. Our idea is to include label information into the embedding process, making the space representation tailored to the task. We design embedding objective functions that the following learning formulations become spectral transforms. We then reformulate these spectral transforms into multiple kernel learning problems. Our method, while being tailored to the discriminative tasks, is efficient and can scale to massive data sets. We show the need of discriminative embedding on some simulations. Applying to biological network problems, our method is shown to outperform baselines.

The mass function and dynamical mass of young star clusters: why their initial crossing-time matters crucially

NASA Astrophysics Data System (ADS)

Parmentier, Geneviève; Baumgardt, Holger

2012-12-01

We highlight the impact of cluster-mass-dependent evolutionary rates upon the evolution of the cluster mass function during violent relaxation, that is, while clusters dynamically respond to the expulsion of their residual star-forming gas. Mass-dependent evolutionary rates arise when the mean volume density of cluster-forming regions is mass-dependent. In that case, even if the initial conditions are such that the cluster mass function at the end of violent relaxation has the same shape as the embedded-cluster mass function (i.e. infant weight-loss is mass-independent), the shape of the cluster mass function does change transiently during violent relaxation. In contrast, for cluster-forming regions of constant mean volume density, the cluster mass function shape is preserved all through violent relaxation since all clusters then evolve at the same mass-independent rate. On the scale of individual clusters, we model the evolution of the ratio of the dynamical mass to luminous mass of a cluster after gas expulsion. Specifically, we map the radial dependence of the time-scale for a star cluster to return to equilibrium. We stress that fields of view a few pc in size only, typical of compact clusters with rapid evolutionary rates, are likely to reveal cluster regions which have returned to equilibrium even if the cluster experienced a major gas expulsion episode a few Myr earlier. We provide models with the aperture and time expressed in units of the initial half-mass radius and initial crossing-time, respectively, so that our results can be applied to clusters with initial densities, sizes, and apertures different from ours.

Screening versus routine practice in detection of atrial fibrillation in patients aged 65 or over: cluster randomised controlled trial

PubMed Central

Fitzmaurice, David A; Jowett, Sue; Mant, Jonathon; Murray, Ellen T; Holder, Roger; Raftery, J P; Bryan, S; Davies, Michael; Lip, Gregory Y H; Allan, T F

2007-01-01

Objectives To assess whether screening improves the detection of atrial fibrillation (cluster randomisation) and to compare systematic and opportunistic screening. Design Multicentred cluster randomised controlled trial, with subsidiary trial embedded within the intervention arm. Setting 50 primary care centres in England, with further individual randomisation of patients in the intervention practices. Participants 14 802 patients aged 65 or over in 25 intervention and 25 control practices. Interventions Patients in intervention practices were randomly allocated to systematic screening (invitation for electrocardiography) or opportunistic screening (pulse taking and invitation for electrocardiography if the pulse was irregular). Screening took place over 12 months in each practice from October 2001 to February 2003. No active screening took place in control practices. Main outcome measure Newly identified atrial fibrillation. Results The detection rate of new cases of atrial fibrillation was 1.63% a year in the intervention practices and 1.04% in control practices (difference 0.59%, 95% confidence interval 0.20% to 0.98%). Systematic and opportunistic screening detected similar numbers of new cases (1.62% v 1.64%, difference 0.02%, −0.5% to 0.5%). Conclusion Active screening for atrial fibrillation detects additional cases over current practice. The preferred method of screening in patients aged 65 or over in primary care is opportunistic pulse taking with follow-up electrocardiography. Trial registration Current Controlled Trials ISRCTN19633732. PMID:17673732

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

PubMed Central

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.; Liaw, Peter K.; Balasubramanian, Ganesh

2016-01-01

Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived properties are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study AlxCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al0.1CrCoFeNi. PMID:27498807

Atomistic clustering-ordering and high-strain deformation of an Al 0.1CrCoFeNi high-entropy alloy

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

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.

2016-08-08

Here, computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived propertiesmore » are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study Al xCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al 0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al 0.1CrCoFeNi.« less

A Spectroscopic Study of Young Stellar Objects in the Serpens Cloud Core and NGC 1333

NASA Astrophysics Data System (ADS)

Winston, E.; Megeath, S. T.; Wolk, S. J.; Hernandez, J.; Gutermuth, R.; Muzerolle, J.; Hora, J. L.; Covey, K.; Allen, L. E.; Spitzbart, B.; Peterson, D.; Myers, P.; Fazio, G. G.

2009-06-01

We present spectral observations of 130 young stellar objects (YSOs) in the Serpens Cloud Core and NGC 1333 embedded clusters. The observations consist of near-IR spectra in the H and K bands from SpeX on the IRTF and far-red spectra (6000-9000 Å) from Hectospec on the Multi-Mirror Telescope. These YSOs were identified in previous Spitzer and Chandra observations, and the evolutionary classes of the YSOs were determined from the Spitzer mid-IR photometry. With these spectra we search for corroborating evidence for the pre-main-sequence nature of the objects, study the properties of the detected emission lines as a function of evolutionary class, and obtain spectral types for the observed YSOs. The temperatures implied by the spectral types are combined with luminosities determined from the near-IR photometry to construct Hertzsprung-Russell (H-R) diagrams for the clusters. By comparing the positions of the YSOs in the H-R diagrams with the pre-main-sequence tracks of Baraffe (1998), we determine the ages of the embedded sources and study the relative ages of the YSOs with and without optically thick circumstellar disks. The apparent isochronal ages of the YSOs in both clusters range from less than 1 Myr to 10 Myr, with most objects below 3 Myr. The observed distributions of ages for the Class II and Class III objects are statistically indistinguishable. We examine the spatial distribution and extinction of the YSOs as a function of their isochronal ages. We find the sources <3 Myr to be concentrated in the molecular cloud gas, while the older sources are spatially dispersed and are not deeply embedded. Nonetheless, the sources with isochronal ages >3 Myr show all the characteristics of YSOs in their spectra, their IR spectral energy distributions, and their X-ray emission; we find no evidence that they are contaminating background giants or foreground dwarfs. However, we find no corresponding decrease in the fraction of sources with infrared excess with isochronal age; this suggests that the older isochronal ages may not measure the true age of the >3 Myr YSOs. Thus, the nature of the apparently older sources and their implications for cluster formation remain unresolved.

Accuracy of Protein Embedding Potentials: An Analysis in Terms of Electrostatic Potentials.

PubMed

Olsen, Jógvan Magnus Haugaard; List, Nanna Holmgaard; Kristensen, Kasper; Kongsted, Jacob

2015-04-14

Quantum-mechanical embedding methods have in recent years gained significant interest and may now be applied to predict a wide range of molecular properties calculated at different levels of theory. To reach a high level of accuracy in embedding methods, both the electronic structure model of the active region and the embedding potential need to be of sufficiently high quality. In fact, failures in quantum mechanics/molecular mechanics (QM/MM)-based embedding methods have often been associated with the QM/MM methodology itself; however, in many cases the reason for such failures is due to the use of an inaccurate embedding potential. In this paper, we investigate in detail the quality of the electronic component of embedding potentials designed for calculations on protein biostructures. We show that very accurate explicitly polarizable embedding potentials may be efficiently designed using fragmentation strategies combined with single-fragment ab initio calculations. In fact, due to the self-interaction error in Kohn-Sham density functional theory (KS-DFT), use of large full-structure quantum-mechanical calculations based on conventional (hybrid) functionals leads to less accurate embedding potentials than fragment-based approaches. We also find that standard protein force fields yield poor embedding potentials, and it is therefore not advisable to use such force fields in general QM/MM-type calculations of molecular properties other than energies and structures.

Extinction coefficients of CC and CC bands in ethyne and ethene molecules interacting with Cu+ and Ag+ in zeolites--IR studies and quantumchemical DFT calculations.

PubMed

Kozyra, Paweł; Góra-Marek, Kinga; Datka, Jerzy

2015-02-05

The values of extinction coefficients of CC and CC IR bands of ethyne and ethene interacting with Cu+ and Ag+ in zeolites were determined in quantitative IR experiments and also by quantumchemical DFT calculations with QM/MM method. Both experimental and calculated values were in very good agreement validating the reliability of calculations. The values of extinction coefficients of ethyne and ethene interacting with bare cations and cations embedded in zeolite-like clusters were calculated. The interaction of organic molecules with Cu+ and Ag+ in zeolites ZSM-5 and especially charge transfers between molecule, cation and zeolite framework was also discussed in relation to the values of extinction coefficients. Copyright © 2014 Elsevier B.V. All rights reserved.

Dynamics of fragment formation in neutron-rich matter

NASA Astrophysics Data System (ADS)

Alcain, P. N.; Dorso, C. O.

2018-01-01

Background: Neutron stars are astronomical systems with nucleons subjected to extreme conditions. Due to the longer range Coulomb repulsion between protons, the system has structural inhomogeneities. Several interactions tailored to reproduce nuclear matter plus a screened Coulomb term reproduce these inhomogeneities known as nuclear pasta. These structural inhomogeneities, located in the crusts of neutron stars, can also arise in expanding systems depending on the thermodynamic conditions (temperature, proton fraction, etc.) and the expansion velocity. Purpose: We aim to find the dynamics of the fragment formation for expanding systems simulated according to the little big bang model. This expansion resembles the evolution of merging neutron stars. Method: We study the dynamics of the nucleons with semiclassical molecular dynamics models. Starting with an equilibrium configuration, we expand the system homogeneously until we arrive at an asymptotic configuration (i.e., very low final densities). We study, with four different cluster recognition algorithms, the fragment distribution throughout this expansion and the dynamics of the cluster formation. Results: Studying the topology of the equilibrium states, before the expansion, we reproduced the known pasta phases plus a novel phase we called pregnocchi, consisting of proton aggregates embedded in a neutron sea. We have identified different fragmentation regimes, depending on the initial temperature and fragment velocity. In particular, for the already mentioned pregnocchi, a neutron cloud surrounds the clusters during the early stages of the expansion, resulting in systems that give rise to configurations compatible with the emergence of the r process. Conclusions: We showed that a proper identification of the cluster distribution is highly dependent on the cluster recognition algorithm chosen, and found that the early cluster recognition algorithm (ECRA) was the most stable one. This approach allowed us to identify the dynamics of the fragment formation. These calculations pave the way to a comparison between Earth experiments and neutron star studies.

Beyond Low-Rank Representations: Orthogonal clustering basis reconstruction with optimized graph structure for multi-view spectral clustering.

PubMed

Wang, Yang; Wu, Lin

2018-07-01

Low-Rank Representation (LRR) is arguably one of the most powerful paradigms for Multi-view spectral clustering, which elegantly encodes the multi-view local graph/manifold structures into an intrinsic low-rank self-expressive data similarity embedded in high-dimensional space, to yield a better graph partition than their single-view counterparts. In this paper we revisit it with a fundamentally different perspective by discovering LRR as essentially a latent clustered orthogonal projection based representation winged with an optimized local graph structure for spectral clustering; each column of the representation is fundamentally a cluster basis orthogonal to others to indicate its members, which intuitively projects the view-specific feature representation to be the one spanned by all orthogonal basis to characterize the cluster structures. Upon this finding, we propose our technique with the following: (1) We decompose LRR into latent clustered orthogonal representation via low-rank matrix factorization, to encode the more flexible cluster structures than LRR over primal data objects; (2) We convert the problem of LRR into that of simultaneously learning orthogonal clustered representation and optimized local graph structure for each view; (3) The learned orthogonal clustered representations and local graph structures enjoy the same magnitude for multi-view, so that the ideal multi-view consensus can be readily achieved. The experiments over multi-view datasets validate its superiority, especially over recent state-of-the-art LRR models. Copyright © 2018 Elsevier Ltd. All rights reserved.

Optical properties of embedded metal nanoparticles at low temperatures

NASA Astrophysics Data System (ADS)

Heilmann, A.; Kreibig, U.

2000-06-01

Metal nanoparticles (gold, silver, copper) that are embedded in an insulating organic host material exhibit optical plasma resonance absorption in the visible and near-infrared region. The spectral position, the half width and the intensity of the plasma resonance absorption all depend on the particle size, the particle shape, and the optical behavior of the cluster and the host material. The optical extinction of various gold, silver or copper particle assemblies embedded in plasma polymer or gelatin was measured at 4.2 K and 1.2 K as well as at room temperature. The packing density of several samples was high enough to resolve a reversible increase of the plasma resonance absorption intensity towards lower temperatures. Additionally, at larger silver particles D_m > 50 nm a significant blue shift of the plasma resonance absorption was measured. Particle size and shape distribution were determined by transmission electron microscopy (TEM). For the first time, simultaneous measurements of the electrical and optical properties at one and the same particle assembly were performed at low temperatures. Contrary to the increasing optical extinction, the d.c. conductivity decreased to two orders of magnitude. At silver particles embedded in a plasma polymer made from thiophene a significant photocurrent was measured.

Interlaced coarse-graining for the dynamical cluster approximation

NASA Astrophysics Data System (ADS)

Haehner, Urs; Staar, Peter; Jiang, Mi; Maier, Thomas; Schulthess, Thomas

The negative sign problem remains a challenging limiting factor in quantum Monte Carlo simulations of strongly correlated fermionic many-body systems. The dynamical cluster approximation (DCA) makes this problem less severe by coarse-graining the momentum space to map the bulk lattice to a cluster embedded in a dynamical mean-field host. Here, we introduce a new form of an interlaced coarse-graining and compare it with the traditional coarse-graining. We show that it leads to more controlled results with weaker cluster shape and smoother cluster size dependence, which with increasing cluster size converge to the results obtained using the standard coarse-graining. In addition, the new coarse-graining reduces the severity of the fermionic sign problem. Therefore, it enables calculations on much larger clusters and can allow the evaluation of the exact infinite cluster size result via finite size scaling. To demonstrate this, we study the hole-doped two-dimensional Hubbard model and show that the interlaced coarse-graining in combination with the DCA+ algorithm permits the determination of the superconducting Tc on cluster sizes, for which the results can be fitted with the Kosterlitz-Thouless scaling law. This research used resources of the Oak Ridge Leadership Computing Facility (OLCF) awarded by the INCITE program, and of the Swiss National Supercomputing Center. OLCF is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Improved Secret Image Sharing Scheme in Embedding Capacity without Underflow and Overflow.

PubMed

Pang, Liaojun; Miao, Deyu; Li, Huixian; Wang, Qiong

2015-01-01

Computational secret image sharing (CSIS) is an effective way to protect a secret image during its transmission and storage, and thus it has attracted lots of attentions since its appearance. Nowadays, it has become a hot topic for researchers to improve the embedding capacity and eliminate the underflow and overflow situations, which is embarrassing and difficult to deal with. The scheme, which has the highest embedding capacity among the existing schemes, has the underflow and overflow problems. Although the underflow and overflow situations have been well dealt with by different methods, the embedding capacities of these methods are reduced more or less. Motivated by these concerns, we propose a novel scheme, in which we take the differential coding, Huffman coding, and data converting to compress the secret image before embedding it to further improve the embedding capacity, and the pixel mapping matrix embedding method with a newly designed matrix is used to embed secret image data into the cover image to avoid the underflow and overflow situations. Experiment results show that our scheme can improve the embedding capacity further and eliminate the underflow and overflow situations at the same time.

Improved Secret Image Sharing Scheme in Embedding Capacity without Underflow and Overflow

PubMed Central

Pang, Liaojun; Miao, Deyu; Li, Huixian; Wang, Qiong

2015-01-01

Computational secret image sharing (CSIS) is an effective way to protect a secret image during its transmission and storage, and thus it has attracted lots of attentions since its appearance. Nowadays, it has become a hot topic for researchers to improve the embedding capacity and eliminate the underflow and overflow situations, which is embarrassing and difficult to deal with. The scheme, which has the highest embedding capacity among the existing schemes, has the underflow and overflow problems. Although the underflow and overflow situations have been well dealt with by different methods, the embedding capacities of these methods are reduced more or less. Motivated by these concerns, we propose a novel scheme, in which we take the differential coding, Huffman coding, and data converting to compress the secret image before embedding it to further improve the embedding capacity, and the pixel mapping matrix embedding method with a newly designed matrix is used to embed secret image data into the cover image to avoid the underflow and overflow situations. Experiment results show that our scheme can improve the embedding capacity further and eliminate the underflow and overflow situations at the same time. PMID:26351657

Multiplexed immunofluorescence delineates proteomic cancer cell states associated with metabolism

PubMed Central

Sood, Anup; Miller, Alexandra M.; Brogi, Edi; Sui, Yunxia; Armenia, Joshua; McDonough, Elizabeth; Santamaria-Pang, Alberto; Stamper, Aleksandra; Campos, Carl; Pang, Zhengyu; Li, Qing; Port, Elisa; Graeber, Thomas G.; Schultz, Nikolaus; Ginty, Fiona; Larson, Steven M.

2016-01-01

The phenotypic diversity of cancer results from genetic and nongenetic factors. Most studies of cancer heterogeneity have focused on DNA alterations, as technologies for proteomic measurements in clinical specimen are currently less advanced. Here, we used a multiplexed immunofluorescence staining platform to measure the expression of 27 proteins at the single-cell level in formalin-fixed and paraffin-embedded samples from treatment-naive stage II/III human breast cancer. Unsupervised clustering of protein expression data from 638,577 tumor cells in 26 breast cancers identified 8 clusters of protein coexpression. In about one-third of breast cancers, over 95% of all neoplastic cells expressed a single protein coexpression cluster. The remaining tumors harbored tumor cells representing multiple protein coexpression clusters, either in a regional distribution or intermingled throughout the tumor. Tumor uptake of the radiotracer 18F-fluorodeoxyglucose was associated with protein expression clusters characterized by hormone receptor loss, PTEN alteration, and HER2 gene amplification. Our study demonstrates an approach to generate cellular heterogeneity metrics in routinely collected solid tumor specimens and integrate them with in vivo cancer phenotypes. PMID:27182557

A Deep Near-Infrared Survey of the N 49 Region around the Soft Gamma-Ray Repeater 0526-66

NASA Technical Reports Server (NTRS)

Klose, S.; Henden, A. A.; Geppert, U.; Greiner, J.; Guetter, H. H.; Hartmann, D. H.; Kouveliotou, C.; Luginbuhl, C. B.; Stecklurn, B.; Vrba, F. J.

2004-01-01

We report the results of a deep near-infrared survey of the vicinity of supernova remnant N49 in the Large Magellanic Cloud (LMC), which contains the soft gamma-ray repeater (SGR) 0526-66. Two of the four confirmed SGRs are potentially associated with compact stellar clusters. We thus searched for a similar association of SGR0526-66, and find the unexplored young stellar cluster SL 463 at a projected distance of approx. 30 pc from the SGR. This constitutes the third cluster-SGR link, and lends support to scenarios in which SGR progenitors originate in young, embedded clusters. If real, the cluster-SGR association constrains the age and thus the initial mass of these stars. In addition, our high-resolution images of the super- nova remnant N49 reveal an area of excess K-band flux in the southeastern part of the SNR. This feature coincides with the maximum flux area at 8.28 microns as detected by the Midcourse Space Experiment (MSX satellite), which we identify with IRAS 052594607.

Regulation of star formation in giant galaxies by precipitation, feedback and conduction.

PubMed

Voit, G M; Donahue, M; Bryan, G L; McDonald, M

2015-03-12

The Universe's largest galaxies reside at the centres of galaxy clusters and are embedded in hot gas that, if left undisturbed, would cool quickly and create many more new stars than are actually observed. Cooling can be regulated by feedback from accretion of cooling gas onto the central black hole, but requires an accretion rate finely tuned to the thermodynamic state of the hot gas. Theoretical models in which cold clouds precipitate out of the hot gas via thermal instability and accrete onto the black hole exhibit the necessary tuning. Recent observational evidence shows that the abundance of cold gas in the centres of clusters increases rapidly near the predicted threshold for instability. Here we report observations showing that this precipitation threshold extends over a large range in cluster radius, cluster mass and cosmic time. We incorporate the precipitation threshold into a framework of theoretical models for the thermodynamic state of hot gas in galaxy clusters. According to that framework, precipitation regulates star formation in some giant galaxies, while thermal conduction prevents star formation in others if it can compensate for radiative cooling and shut off precipitation.

Nuclear Rings in the IR: Hidden Super Star Clusters

NASA Astrophysics Data System (ADS)

Maoz, Dan

1997-07-01

We propose NICMOS broad-band {F160W, F187W} and Paschen Alpha {F187N} imaging of nuclear starburst rings in two nearby galaxies. We already have UV {F220W} FOC data, and are scheduled to obtain WFPC2 images in U, V, I, and Halpha+[NII] of these rings. The rings contain large populations of super star clusters similar to those recently discovered in other types of starburst systems. Nuclear rings contain large numbers of these clusters in relatively unobscured starburst environments. Measurement of the age, size, and stellar contents of the clusters can test the hypothesis that super star clusters are young globular clusters. Together with our UV and optical data, NICMOS images will provide the SED of numerous super star clusters over a decade in wavelength. Our already-approved observations will allow us to estimate, by comparison with evolutionary synthesis models, the masses and ages of the clusters. The proposed IR data will be sensitive to the number of supergiants {1.6 micron} and O-stars {Paschen Alpha} in each of the clusters. The observations will provide an independent determination of the reddening, mass, and age of each cluster. We expect to see in the IR numerous clusters that are obscured in the UV and optical. These clusters may be the younger ones, which are still embedded in their molecular clouds. By measuring the mass, age, and size of a large number of clusters, we can actually obtain an evolutionary picture of these objects at different stages in their lives.

Efficient architecture for spike sorting in reconfigurable hardware.

PubMed

Hwang, Wen-Jyi; Lee, Wei-Hao; Lin, Shiow-Jyu; Lai, Sheng-Ying

2013-11-01

This paper presents a novel hardware architecture for fast spike sorting. The architecture is able to perform both the feature extraction and clustering in hardware. The generalized Hebbian algorithm (GHA) and fuzzy C-means (FCM) algorithm are used for feature extraction and clustering, respectively. The employment of GHA allows efficient computation of principal components for subsequent clustering operations. The FCM is able to achieve near optimal clustering for spike sorting. Its performance is insensitive to the selection of initial cluster centers. The hardware implementations of GHA and FCM feature low area costs and high throughput. In the GHA architecture, the computation of different weight vectors share the same circuit for lowering the area costs. Moreover, in the FCM hardware implementation, the usual iterative operations for updating the membership matrix and cluster centroid are merged into one single updating process to evade the large storage requirement. To show the effectiveness of the circuit, the proposed architecture is physically implemented by field programmable gate array (FPGA). It is embedded in a System-on-Chip (SOC) platform for performance measurement. Experimental results show that the proposed architecture is an efficient spike sorting design for attaining high classification correct rate and high speed computation.

Radiation-induced microcrystal shape change as a mechanism of wasteform degradation

NASA Astrophysics Data System (ADS)

Ojovan, Michael I.; Burakov, Boris E.; Lee, William E.

2018-04-01

Experiments with actinide-containing insulating wasteforms such as devitrified glasses containing 244Cm, Ti-pyrochlore, single-phase La-monazite, Pu-monazite ceramics, Eu-monazite and zircon single crystals containing 238Pu indicate that mechanical self-irradiation-induced destruction may not reveal itself for many years (even decades). The mechanisms causing these slowly-occurring changes remain unknown therefore in addition to known mechanisms of wasteform degradation such as matrix swelling and loss of solid solution we have modelled the damaging effects of electrical fields induced by the decay of radionuclides in clusters embedded in a non-conducting matrix. Three effects were important: (i) electric breakdown; (ii) cluster shape change due to dipole interaction, and (iii) cluster shape change due to polarisation interaction. We reveal a critical size of radioactive clusters in non-conducting matrices so that the matrix material can be damaged if clusters are larger than this critical size. The most important parameters that control the matrix integrity are the radioactive cluster (inhomogeneity) size, specific radioactivity, and effective matrix electrical conductivity. We conclude that the wasteform should be as homogeneous as possible and even electrically conductive to avoid potential damage caused by electrical charges induced by radioactive decay.

Highly efficient star formation in NGC 5253 possibly from stream-fed accretion.

PubMed

Turner, J L; Beck, S C; Benford, D J; Consiglio, S M; Ho, P T P; Kovács, A; Meier, D S; Zhao, J-H

2015-03-19

Gas clouds in present-day galaxies are inefficient at forming stars. Low star-formation efficiency is a critical parameter in galaxy evolution: it is why stars are still forming nearly 14 billion years after the Big Bang and why star clusters generally do not survive their births, instead dispersing to form galactic disks or bulges. Yet the existence of ancient massive bound star clusters (globular clusters) in the Milky Way suggests that efficiencies were higher when they formed ten billion years ago. A local dwarf galaxy, NGC 5253, has a young star cluster that provides an example of highly efficient star formation. Here we report the detection of the J = 3→2 rotational transition of CO at the location of the massive cluster. The gas cloud is hot, dense, quiescent and extremely dusty. Its gas-to-dust ratio is lower than the Galactic value, which we attribute to dust enrichment by the embedded star cluster. Its star-formation efficiency exceeds 50 per cent, tenfold that of clouds in the Milky Way. We suggest that high efficiency results from the force-feeding of star formation by a streamer of gas falling into the galaxy.

Active learning for semi-supervised clustering based on locally linear propagation reconstruction.

PubMed

Chang, Chin-Chun; Lin, Po-Yi

2015-03-01

The success of semi-supervised clustering relies on the effectiveness of side information. To get effective side information, a new active learner learning pairwise constraints known as must-link and cannot-link constraints is proposed in this paper. Three novel techniques are developed for learning effective pairwise constraints. The first technique is used to identify samples less important to cluster structures. This technique makes use of a kernel version of locally linear embedding for manifold learning. Samples neither important to locally linear propagation reconstructions of other samples nor on flat patches in the learned manifold are regarded as unimportant samples. The second is a novel criterion for query selection. This criterion considers not only the importance of a sample to expanding the space coverage of the learned samples but also the expected number of queries needed to learn the sample. To facilitate semi-supervised clustering, the third technique yields inferred must-links for passing information about flat patches in the learned manifold to semi-supervised clustering algorithms. Experimental results have shown that the learned pairwise constraints can capture the underlying cluster structures and proven the feasibility of the proposed approach. Copyright © 2014 Elsevier Ltd. All rights reserved.

The outskirts of the Coma cluster

NASA Astrophysics Data System (ADS)

Gavazzi, Giuseppe

Evolved Coma-like clusters of galaxies are constituted of relaxed cores composed of ''old'' early-type galaxies, embedded in large-scale structures, mostly constituted of unevolved (late-type) systems. According to the hierarchical theory of cluster formation the central regions are being fed with unevolved, low-mass systems infalling from the surroundings that are gradually transformed into elliptical/S0 galaxies by tidal galaxy-galaxy and galaxy-cluster interactions, taking place at some boundary distance. The Coma cluster, the most studied of all local clusters, provides us with the ideal test-bed for such an evolutionary study because of the completeness of the photometric and kinematic information already at hands. The field of view of the planned GALEX observations is not big enough to include the boundary interface where most transformations processes are expected to take place, including the truncation of the current star formation. We propose to complete the outskirt of Coma with an additional corona of 11 GALEX imaging fields of 1500 sec exposure each, matching the deepness (UV_{AB}=23.5 mag) of the fields observed in guarantee time. Given the priority of the target, we also propose one optional Central pointing that includes one bright star marginally exceeding the detector brightness limit.

Field O stars: formed in situ or as runaways?

NASA Astrophysics Data System (ADS)

Gvaramadze, V. V.; Weidner, C.; Kroupa, P.; Pflamm-Altenburg, J.

2012-08-01

A significant fraction of massive stars in the Milky Way and other galaxies are located far from star clusters and star-forming regions. It is known that some of these stars are runaways, i.e. possess high space velocities (determined through the proper motion and/or radial velocity measurements), and therefore most likely were formed in embedded clusters and then ejected into the field because of dynamical few-body interactions or binary-supernova explosions. However, there exists a group of field O stars whose runaway status is difficult to prove via direct proper motion measurements (e.g. in the Magellanic Clouds) or whose (measured) low space velocities and/or young ages appear to be incompatible with their large separation from known star clusters. The existence of this group led some authors to believe that field O stars can form in situ. Since the question of whether or not O stars can form in isolation is of crucial importance for star formation theory, it is important to thoroughly test candidates of such stars in order to improve the theory. In this paper, we examine the runaway status of the best candidates for isolated formation of massive stars in the Milky Way and the Magellanic Clouds by searching for bow shocks around them, by using the new reduction of the Hipparcos data, and by searching for stellar systems from which they could originate within their lifetimes. We show that most of the known O stars thought to have formed in isolation are instead very likely runaways. We show also that the field must contain a population of O stars whose low space velocities and/or young ages are in apparent contradiction to the large separation of these stars from their parent clusters and/or the ages of these clusters. These stars (the descendants of runaway massive binaries) cannot be traced back to their parent clusters and therefore can be mistakenly considered as having formed in situ. We argue also that some field O stars could be detected in optical wavelengths only because they are runaways, while their cousins residing in the deeply embedded parent clusters might still remain totally obscured. The main conclusion of our study is that there is no significant evidence whatsoever in support of the in situ proposal on the origin of massive stars.

Generation of Controlled Analog Emissions from Embedded Devices using Software Stress Methods

DTIC Science & Technology

2017-03-01

Generation of Controlled Analog Emissions from Embedded Devices using Software Stress Methods Oren Sternberg, Jonathan H. Nelson, Israel Perez...Abstract: In this paper, we present a new method that uses software diagnostic tools to study the generation of induced spurious physical emissions from...types of attacks warrants an understanding of unwanted signal generation. We examine this connection by observing the emission profile of an embedded

Electron-induced hydrogen loss in uracil in a water cluster environment

NASA Astrophysics Data System (ADS)

Smyth, M.; Kohanoff, J.; Fabrikant, I. I.

2014-05-01

Low-energy electron-impact hydrogen loss due to dissociative electron attachment (DEA) to the uracil and thymine molecules in a water cluster environment is investigated theoretically. Only the A'-resonance contribution, describing the near-threshold behavior of DEA, is incorporated. Calculations are based on the nonlocal complex potential theory and the multiple scattering theory, and are performed for a model target with basic properties of uracil and thymine, surrounded by five water molecules. The DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster. This growth is due to two effects: the increase of the resonance lifetime and the negative shift in the resonance position due to interaction of the intermediate negative ion with the surrounding water molecules. A similar effect was earlier found in DEA to chlorofluorocarbons.

The STREGA survey - II. Globular cluster Palomar 12

NASA Astrophysics Data System (ADS)

Musella, I.; Di Criscienzo, M.; Marconi, M.; Raimondo, G.; Ripepi, V.; Cignoni, M.; Bono, G.; Brocato, E.; Dall'Ora, M.; Ferraro, I.; Grado, A.; Iannicola, G.; Limatola, L.; Molinaro, R.; Moretti, M. I.; Stetson, P. B.; Capaccioli, M.; Cioni, M.-R. L.; Getman, F.; Schipani, P.

2018-01-01

In the framework of the STREGA (STRucture and Evolution of the GAlaxy) survey, two fields around the globular cluster Pal 12 were observed with the aim of detecting the possible presence of streams and/or an extended halo. The adopted stellar tracers are the main sequence, turn-off and red giant branch stars. We discuss the luminosity function and the star counts in the observed region covering about 2 tidal radii, confirming that Pal 12 appears to be embedded in the Sagittarius Stream. Adopting an original approach to separate cluster and field stars, we do not find any evidence of significant extra-tidal Pal 12 stellar populations. The presence of the Sagittarius stream seems to have mimicked a larger tidal radius in previous studies. Indeed, adopting a King model, a redetermination of this value gives rT = 0.22 ± 0.1 deg.

An empirical potential for simulating vacancy clusters in tungsten.

PubMed

Mason, D R; Nguyen-Manh, D; Becquart, C S

2017-12-20

We present an empirical interatomic potential for tungsten, particularly well suited for simulations of vacancy-type defects. We compare energies and structures of vacancy clusters generated with the empirical potential with an extensive new database of values computed using density functional theory, and show that the new potential predicts low-energy defect structures and formation energies with high accuracy. A significant difference to other popular embedded-atom empirical potentials for tungsten is the correct prediction of surface energies. Interstitial properties and short-range pairwise behaviour remain similar to the Ackford-Thetford potential on which it is based, making this potential well-suited to simulations of microstructural evolution following irradiation damage cascades. Using atomistic kinetic Monte Carlo simulations, we predict vacancy cluster dissociation in the range 1100-1300 K, the temperature range generally associated with stage IV recovery.

National forest economic clusters: a new model for assessing national-forest-based natural resources products and services.

Treesearch

Thomas D. Rojas

2007-01-01

National forest lands encompass numerous rural and urban communities. Some national-forest-based communities lie embedded within national forests, and others reside just outside the official boundaries of national forests. The urban and rural communities within or near national forest lands include a wide variety of historical traditions and cultural values that affect...

High resolution far-infrared observations of the evolved H II region M16

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

McBreen, B.; Fazio, G.G.; Jaffe, D.T.

1982-03-01

M16 is an evolved, extremely density bounded H II region, which now consists only of a series of ionization fronts at molecular cloud boundaries. The source of ionization is the OB star cluster (NGC 6611) which is about 5 x 10/sup 6/ years old. We used the CFA/UA 102 cm balloon-borne telescope to map this region and detected three far-infrared (far-IR) sources embedded in an extended ridge of emission. Source I is an unresolved far-IR source embedded in a molecular cloud near a sharp ionization front. An H/sub 2/O maser is associated with this source, but no radio continuum emissionmore » has been observed. The other two far-IR sources (II and III) are associated with ionized gas-molecular cloud interfaces, with the far-IR radiation arising from dust at the boundary heated by the OB cluster. Source II is located at the southern prominent neutral intrusion with its associated bright rims and dark ''elephant trunk'' globules that delineate the current progress of the ionization front into the neutral material, and Source III arises at the interface of the northern molecular cloud fragment.« less

Clustering of tethered satellite system simulation data by an adaptive neuro-fuzzy algorithm

NASA Technical Reports Server (NTRS)

Mitra, Sunanda; Pemmaraju, Surya

1992-01-01

Recent developments in neuro-fuzzy systems indicate that the concepts of adaptive pattern recognition, when used to identify appropriate control actions corresponding to clusters of patterns representing system states in dynamic nonlinear control systems, may result in innovative designs. A modular, unsupervised neural network architecture, in which fuzzy learning rules have been embedded is used for on-line identification of similar states. The architecture and control rules involved in Adaptive Fuzzy Leader Clustering (AFLC) allow this system to be incorporated in control systems for identification of system states corresponding to specific control actions. We have used this algorithm to cluster the simulation data of Tethered Satellite System (TSS) to estimate the range of delta voltages necessary to maintain the desired length rate of the tether. The AFLC algorithm is capable of on-line estimation of the appropriate control voltages from the corresponding length error and length rate error without a priori knowledge of their membership functions and familarity with the behavior of the Tethered Satellite System.

Formation of metallic clusters in oxide insulators by means of ion beam mixing

NASA Astrophysics Data System (ADS)

Talut, G.; Potzger, K.; Mücklich, A.; Zhou, Shengqiang

2008-04-01

The intermixing and near-interface cluster formation of Pt and FePt thin films deposited on different oxide surfaces by means of Pt+ ion irradiation and subsequent annealing was investigated. Irradiated as well as postannealed samples were investigated using high resolution transmission electron microscopy. In MgO and Y :ZrO2 covered with Pt, crystalline clusters with mean sizes of 2 and 3.5nm were found after the Pt+ irradiations with 8×1015 and 2×1016cm-2 and subsequent annealing, respectively. In MgO samples covered with FePt, clusters with mean sizes of 1 and 2nm were found after the Pt+ irradiations with 8×1015 and 2×1016cm-2 and subsequent annealing, respectively. In Y :ZrO2 samples covered with FePt, clusters up to 5nm in size were found after the Pt+ irradiation with 2×1016cm-2 and subsequent annealing. In LaAlO3 the irradiation was accompanied by a full amorphization of the host matrix and appearance of embedded clusters of different sizes. The determination of the lattice constant and thus the kind of the clusters in samples covered by FePt was hindered due to strong deviation of the electron beam by the ferromagnetic FePt.

Streptomyces scabies 87-22 contains a coronafacic acid-like biosynthetic cluster that contributes to plant-microbe interactions.

PubMed

Bignell, Dawn R D; Seipke, Ryan F; Huguet-Tapia, José C; Chambers, Alan H; Parry, Ronald J; Loria, Rosemary

2010-02-01

Plant-pathogenic Streptomyces spp. cause scab disease on economically important root and tuber crops, the most important of which is potato. Key virulence determinants produced by these species include the cellulose synthesis inhibitor, thaxtomin A, and the secreted Nec1 protein that is required for colonization of the plant host. Recently, the genome sequence of Streptomyces scabies 87-22 was completed, and a biosynthetic cluster was identified that is predicted to synthesize a novel compound similar to coronafacic acid (CFA), a component of the virulence-associated coronatine phytotoxin produced by the plant-pathogenic bacterium Pseudomonas syringae. Southern analysis indicated that the cfa-like cluster in S. scabies 87-22 is likely conserved in other strains of S. scabies but is absent from two other pathogenic streptomycetes, S. turgidiscabies and S. acidiscabies. Transcriptional analyses demonstrated that the cluster is expressed during plant-microbe interactions and that expression requires a transcriptional regulator embedded in the cluster as well as the bldA tRNA. A knockout strain of the biosynthetic cluster displayed a reduced virulence phenotype on tobacco seedlings compared with the wild-type strain. Thus, the cfa-like biosynthetic cluster is a newly discovered locus in S. scabies that contributes to host-pathogen interactions.

The doubling of stellar black hole nuclei

NASA Astrophysics Data System (ADS)

Kazandjian, Mher V.; Touma, J. R.

2013-04-01

It is strongly believed that Andromeda's double nucleus signals a disc of stars revolving around its central supermassive black hole on eccentric Keplerian orbits with nearly aligned apsides. A self-consistent stellar dynamical origin for such apparently long-lived alignment has so far been lacking, with indications that cluster self-gravity is capable of sustaining such lopsided configurations if and when stimulated by external perturbations. Here, we present results of N-body simulations which show unstable counter-rotating stellar clusters around supermassive black holes saturating into uniformly precessing lopsided nuclei. The double nucleus in our featured experiment decomposes naturally into a thick eccentric disc of apo-apse aligned stars which is embedded in a lighter triaxial cluster. The eccentric disc reproduces key features of Keplerian disc models of Andromeda's double nucleus; the triaxial cluster has a distinctive kinematic signature which is evident in Hubble Space Telescope observations of Andromeda's double nucleus, and has been difficult to reproduce with Keplerian discs alone. Our simulations demonstrate how the combination of an eccentric disc and a triaxial cluster arises naturally when a star cluster accreted over a preexisting and counter-rotating disc of stars drives disc and cluster into a mutually destabilizing dance. Such accretion events are inherent to standard galaxy formation scenarios. They are here shown to double stellar black hole nuclei as they feed them.

Bose-Einstein condensate haloes embedded in dark energy

NASA Astrophysics Data System (ADS)

Membrado, M.; Pacheco, A. F.

2018-04-01

Context. We have studied clusters of self-gravitating collisionless Newtonian bosons in their ground state and in the presence of the cosmological constant to model dark haloes of dwarf spheroidal (dSph) galaxies. Aim. We aim to analyse the influence of the cosmological constant on the structure of these systems. Observational data of Milky Way dSph galaxies allow us to estimate the boson mass. Methods: We obtained the energy of the ground state of the cluster in the Hartree approximation by solving a variational problem in the particle density. We have also developed and applied the virial theorem. Dark halo models were tested in a sample of 19 galaxies. Galaxy radii, 3D deprojected half-light radii, mass enclosed within them, and luminosity-weighted averages of the square of line-of-sight velocity dispersions are used to estimate the particle mass. Results: Cosmological constant repulsive effects are embedded in one parameter ξ. They are appreciable for ξ > 10-5. Bound structures appear for ξ ≤ ξc = 1.65 × 10-4, what imposes a lower bound for cluster masses as a function of the particle mass. In principle, these systems present tunnelling through a potential barrier; however, after estimating their mean lifes, we realize that their existence is not affected by the age of the Universe. When Milky Way dSph galaxies are used to test the model, we obtain 3.5-1.0+1.3 × 10-22 eV for the particle mass and a lower limit of 5.1-2.8+2.2 × 106 M⊙ for bound haloes. Conclusions: Our estimation for the boson mass is in agreement with other recent results which use different methods. From our particle mass estimation, the treated dSph galaxies would present dark halo masses 5-11 ×107 M⊙. With these values, they would not be affected by the cosmological constant (ξ < 10-8). However, dark halo masses smaller than 107 M⊙ (ξ > 10-5) would already feel their effects. Our model that includes dark energy allows us to deal with these dark haloes. Assuming quantities averaged in the sample of galaxies, 10-5 < ξ ≤ ξc dark haloes would contain stars up to 8-15 kpc with luminosities 9-4 ×103 L⊙. Then, their observation would be complicated. The comparison of our lower bound for dark halo masses with other bounds based on different arguments, leads us to think that the cosmological constant is actually the responsible of limiting the halo mass.

Modular error embedding

DOEpatents

Sandford, II, Maxwell T.; Handel, Theodore G.; Ettinger, J. Mark

1999-01-01

A method of embedding auxiliary information into the digital representation of host data containing noise in the low-order bits. The method applies to digital data representing analog signals, for example digital images. The method reduces the error introduced by other methods that replace the low-order bits with auxiliary information. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user through use of a digital key. The modular error embedding method includes a process to permute the order in which the host data values are processed. The method doubles the amount of auxiliary information that can be added to host data values, in comparison with bit-replacement methods for high bit-rate coding. The invention preserves human perception of the meaning and content of the host data, permitting the addition of auxiliary data in the amount of 50% or greater of the original host data.

Hybrid quantum and molecular mechanics embedded cluster models for chemistry on silicon and silicon carbide surfaces

NASA Astrophysics Data System (ADS)

Shoemaker, James Richard

Fabrication of silicon carbide (SiC) semiconductor devices are of interest for aerospace applications because of their high-temperature tolerance. Growth of an insulating SiO2 layer on SiC by oxidation is a poorly understood process, and sometimes produces interface defects that degrade device performance. Accurate theoretical models of surface chemistry, using quantum mechanics (QM), do not exist because of the huge computational cost of solving Schrodinger's equation for a molecular cluster large enough to represent a surface. Molecular mechanics (MM), which describes a molecule as a collection of atoms interacting through classical potentials, is a fast computational method, good at predicting molecular structure, but cannot accurately model chemical reactions. A new hybrid QM/MM computational method for surface chemistry was developed and applied to silicon and SiC surfaces. The addition of MM steric constraints was shown to have a large effect on the energetics of O atom adsorption on SiC. Adsorption of O atoms on Si-terminated SiC(111) favors above surface sites, in contrast to Si(111), but favors subsurface adsorption sites on C- terminated SiC(111). This difference, and the energetics of C atom etching via CO2 desorption, can explain the observed poor performance of SiC devices in which insulating layers were grown on C-terminated surfaces.

Audio Watermark Embedding Technique Applying Auditory Stream Segregation: "G-encoder Mark" Able to Be Extracted by Mobile Phone

NASA Astrophysics Data System (ADS)

Modegi, Toshio

We are developing audio watermarking techniques which enable extraction of embedded data by cell phones. For that we have to embed data onto frequency ranges, where our auditory response is prominent, therefore data embedding will cause much auditory noises. Previously we have proposed applying a two-channel stereo play-back feature, where noises generated by a data embedded left-channel signal will be reduced by the other right-channel signal. However, this proposal has practical problems of restricting extracting terminal location. In this paper, we propose synthesizing the noise reducing right-channel signal with the left-signal and reduces noises completely by generating an auditory stream segregation phenomenon to users. This newly proposed makes the noise reducing right-channel signal unnecessary and supports monaural play-back operations. Moreover, we propose a wide-band embedding method causing dual auditory stream segregation phenomena, which enables data embedding on whole public phone frequency ranges and stable extractions with 3-G mobile phones. From these proposals, extraction precisions become higher than those by the previously proposed method whereas the quality damages of embedded signals become smaller. In this paper we present an abstract of our newly proposed method and experimental results comparing with those by the previously proposed method.

Embedding beyond electrostatics-The role of wave function confinement.

PubMed

Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

2016-09-14

We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.

Lossless Data Embedding—New Paradigm in Digital Watermarking

NASA Astrophysics Data System (ADS)

Fridrich, Jessica; Goljan, Miroslav; Du, Rui

2002-12-01

One common drawback of virtually all current data embedding methods is the fact that the original image is inevitably distorted due to data embedding itself. This distortion typically cannot be removed completely due to quantization, bit-replacement, or truncation at the grayscales 0 and 255. Although the distortion is often quite small and perceptual models are used to minimize its visibility, the distortion may not be acceptable for medical imagery (for legal reasons) or for military images inspected under nonstandard viewing conditions (after enhancement or extreme zoom). In this paper, we introduce a new paradigm for data embedding in images (lossless data embedding) that has the property that the distortion due to embedding can be completely removed from the watermarked image after the embedded data has been extracted. We present lossless embedding methods for the uncompressed formats (BMP, TIFF) and for the JPEG format. We also show how the concept of lossless data embedding can be used as a powerful tool to achieve a variety of nontrivial tasks, including lossless authentication using fragile watermarks, steganalysis of LSB embedding, and distortion-free robust watermarking.

Non-integer expansion embedding techniques for reversible image watermarking

NASA Astrophysics Data System (ADS)

Xiang, Shijun; Wang, Yi

2015-12-01

This work aims at reducing the embedding distortion of prediction-error expansion (PE)-based reversible watermarking. In the classical PE embedding method proposed by Thodi and Rodriguez, the predicted value is rounded to integer number for integer prediction-error expansion (IPE) embedding. The rounding operation makes a constraint on a predictor's performance. In this paper, we propose a non-integer PE (NIPE) embedding approach, which can proceed non-integer prediction errors for embedding data into an audio or image file by only expanding integer element of a prediction error while keeping its fractional element unchanged. The advantage of the NIPE embedding technique is that the NIPE technique can really bring a predictor into full play by estimating a sample/pixel in a noncausal way in a single pass since there is no rounding operation. A new noncausal image prediction method to estimate a pixel with four immediate pixels in a single pass is included in the proposed scheme. The proposed noncausal image predictor can provide better performance than Sachnev et al.'s noncausal double-set prediction method (where data prediction in two passes brings a distortion problem due to the fact that half of the pixels were predicted with the watermarked pixels). In comparison with existing several state-of-the-art works, experimental results have shown that the NIPE technique with the new noncausal prediction strategy can reduce the embedding distortion for the same embedding payload.

A Spiral Step-by-Step Educational Method for Cultivating Competent Embedded System Engineers to Meet Industry Demands

ERIC Educational Resources Information Center

Jing,Lei; Cheng, Zixue; Wang, Junbo; Zhou, Yinghui

2011-01-01

Embedded system technologies are undergoing dramatic change. Competent embedded system engineers are becoming a scarce resource in the industry. Given this, universities should revise their specialist education to meet industry demands. In this paper, a spirally tight-coupled step-by-step educational method, based on an analysis of industry…

Time fluctuation analysis of forest fire sequences

NASA Astrophysics Data System (ADS)

Vega Orozco, Carmen D.; Kanevski, Mikhaïl; Tonini, Marj; Golay, Jean; Pereira, Mário J. G.

2013-04-01

Forest fires are complex events involving both space and time fluctuations. Understanding of their dynamics and pattern distribution is of great importance in order to improve the resource allocation and support fire management actions at local and global levels. This study aims at characterizing the temporal fluctuations of forest fire sequences observed in Portugal, which is the country that holds the largest wildfire land dataset in Europe. This research applies several exploratory data analysis measures to 302,000 forest fires occurred from 1980 to 2007. The applied clustering measures are: Morisita clustering index, fractal and multifractal dimensions (box-counting), Ripley's K-function, Allan Factor, and variography. These algorithms enable a global time structural analysis describing the degree of clustering of a point pattern and defining whether the observed events occur randomly, in clusters or in a regular pattern. The considered methods are of general importance and can be used for other spatio-temporal events (i.e. crime, epidemiology, biodiversity, geomarketing, etc.). An important contribution of this research deals with the analysis and estimation of local measures of clustering that helps understanding their temporal structure. Each measure is described and executed for the raw data (forest fires geo-database) and results are compared to reference patterns generated under the null hypothesis of randomness (Poisson processes) embedded in the same time period of the raw data. This comparison enables estimating the degree of the deviation of the real data from a Poisson process. Generalizations to functional measures of these clustering methods, taking into account the phenomena, were also applied and adapted to detect time dependences in a measured variable (i.e. burned area). The time clustering of the raw data is compared several times with the Poisson processes at different thresholds of the measured function. Then, the clustering measure value depends on the threshold which helps to understand the time pattern of the studied events. Our findings detected the presence of overdensity of events in particular time periods and showed that the forest fire sequences in Portugal can be considered as a multifractal process with a degree of time-clustering of the events. Key words: time sequences, Morisita index, fractals, multifractals, box-counting, Ripley's K-function, Allan Factor, variography, forest fires, point process. Acknowledgements This work was partly supported by the SNFS Project No. 200021-140658, "Analysis and Modelling of Space-Time Patterns in Complex Regions". References - Kanevski M. (Editor). 2008. Advanced Mapping of Environmental Data: Geostatistics, Machine Learning and Bayesian Maximum Entropy. London / Hoboken: iSTE / Wiley. - Telesca L. and Pereira M.G. 2010. Time-clustering investigation of fire temporal fluctuations in Portugal, Nat. Hazards Earth Syst. Sci., vol. 10(4): 661-666. - Vega Orozco C., Tonini M., Conedera M., Kanevski M. (2012) Cluster recognition in spatial-temporal sequences: the case of forest fires, Geoinformatica, vol. 16(4): 653-673.

Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges.

PubMed

Parandekar, Priya V; Hratchian, Hrant P; Raghavachari, Krishnan

2008-10-14

Hybrid QM:QM (quantum mechanics:quantum mechanics) and QM:MM (quantum mechanics:molecular mechanics) methods are widely used to calculate the electronic structure of large systems where a full quantum mechanical treatment at a desired high level of theory is computationally prohibitive. The ONIOM (our own N-layer integrated molecular orbital molecular mechanics) approximation is one of the more popular hybrid methods, where the total molecular system is divided into multiple layers, each treated at a different level of theory. In a previous publication, we developed a novel QM:QM electronic embedding scheme within the ONIOM framework, where the model system is embedded in the external Mulliken point charges of the surrounding low-level region to account for the polarization of the model system wave function. Therein, we derived and implemented a rigorous expression for the embedding energy as well as analytic gradients that depend on the derivatives of the external Mulliken point charges. In this work, we demonstrate the applicability of our QM:QM method with point charge embedding and assess its accuracy. We study two challenging systems--zinc metalloenzymes and silicon oxide cages--and demonstrate that electronic embedding shows significant improvement over mechanical embedding. We also develop a modified technique for the energy and analytic gradients using a generalized asymmetric Mulliken embedding method involving an unequal splitting of the Mulliken overlap populations to offer improvement in situations where the Mulliken charges may be deficient.

Application of RT-PCR in formalin-fixed and paraffin-embedded lung cancer tissues.

PubMed

Zhang, Fan; Wang, Zhuo-min; Liu, Hong-yu; Bai, Yun; Wei, Sen; Li, Ying; Wang, Min; Chen, Jun; Zhou, Qing-hua

2010-01-01

To analyze gene expression in formalin-fixed, paraffin-embedded lung cancer tissues using modified method. Total RNA from frozen tissues was extracted using TRIZOL reagent. RNA was extracted from formalin-fixed, paraffin-embedded tissues by digestion with proteinase K before the acid-phenol:chloroform extraction and carrier precipitation. We modified this method by using a higher concentration of proteinase K and a longer digestion time, optimized to 16 hours. RT-PCR and real-time RT-PCR were used to check reproducibility and the concordance between frozen and paraffin-embedded samples. The results showed that the RNA extracted from the paraffin-embedded lung tissues had high quality with the most fragment length between 28S and 18S bands (about 1000 to 2000 bases). The housekeeping gene GUSB exhibited low variation of expression in frozen and paraffin-embedded lung tissues, whereas PGK1 had the lowest variation in lymphoma tissues. Furthermore, real-time PCR analysis of the expression of known prognostic genes in non-small cell lung carcinoma (NSCLC) demonstrated an extremely high correlation (r>0.880) between the paired frozen and formalin-fixed, paraffin-embedded specimens. This improved method of RNA extraction is suitable for real-time quantitative RT-PCR, and may be used for global gene expression profiling of paraffin-embedded tissues.

The outskirts of galaxy clusters: astrophysics and cosmology

NASA Astrophysics Data System (ADS)

Morandi, Andrea; Sun, Ming

2017-08-01

Exploring the virialization region of galaxy clusters has recently raised the attention of the scientific community, offering a direct view of structure formation. In this talk, I will present recent results on the physical properties of the intracluster medium in the outer volumes of a sample of 320 clusters (0.056 3 keV) in the Chandra archive, with a total integration time of ~20 Ms. We stacked the emission measure profiles of the clusters to detect a signal out to R100. We then measured the average emission measure, gas density and gas fraction, which scale according to the self-similar model of cluster formation. We observe a steepening of the density profiles beyond R500 with slope β~0.68 at R500 and β~1 at R200 and beyond. By tracking the direction of the cosmic filaments where the clusters are embedded, we report that galaxy clusters deviate from spherical symmetry. We finally used, for the first time, the high level of similarity of the emission measure in the cluster outskirts as cosmology proxy. The cosmological parameters are thus constrained assuming that the emission measure profiles at different redshift are weakly self-similar, that is their shape is universal, explicitly allowing for temperature and redshift dependence of the gas fraction. This cosmological test, in combination with Planck+SNIa data, allows us to put a tight constraint on the dark energy models. For a constant-w model, we have w=-1.010±0.030 and Ωm=0.311±0.014, while for a time-evolving equation of state of dark energy w(z) we have Ωm=0.308±0.017, w0=-0.993±0.046 and wa=-0.123±0.400 We checked that our method is robust towards different sources of systematics, including background modelling, outlier measurements, selection effects, inhomogeneities of the gas distribution and cosmic filaments. We also provided for the first time constraints on which definition of cluster boundary radius is more tenable, namely based on a fixed overdensity with respect to the critical density of the Universe. Finally, we present gas inhomogeneities measurements of the outskirts of the poor galaxy group NGC2563.

THE PREVALENCE AND IMPACT OF WOLF–RAYET STARS IN EMERGING MASSIVE STAR CLUSTERS

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

Sokal, Kimberly R.; Johnson, Kelsey E.; Indebetouw, Rémy

We investigate Wolf–Rayet (WR) stars as a source of feedback contributing to the removal of natal material in the early evolution of massive star clusters. Despite previous work suggesting that massive star clusters clear out their natal material before the massive stars evolve into the WR phase, WR stars have been detected in several emerging massive star clusters. These detections suggest that the timescale for clusters to emerge can be at least as long as the time required to produce WR stars (a few million years), and could also indicate that WR stars may be providing the tipping point inmore » the combined feedback processes that drive a massive star cluster to emerge. We explore the potential overlap between the emerging phase and the WR phase with an observational survey to search for WR stars in emerging massive star clusters hosting WR stars. We select candidate emerging massive star clusters from known radio continuum sources with thermal emission and obtain optical spectra with the 4 m Mayall Telescope at Kitt Peak National Observatory and the 6.5 m MMT.{sup 4} We identify 21 sources with significantly detected WR signatures, which we term “emerging WR clusters.” WR features are detected in ∼50% of the radio-selected sample, and thus we find that WR stars are commonly present in currently emerging massive star clusters. The observed extinctions and ages suggest that clusters without WR detections remain embedded for longer periods of time, and may indicate that WR stars can aid, and therefore accelerate, the emergence process.« less

A SPECTRAL GRAPH APPROACH TO DISCOVERING GENETIC ANCESTRY1

PubMed Central

Lee, Ann B.; Luca, Diana; Roeder, Kathryn

2010-01-01

Mapping human genetic variation is fundamentally interesting in fields such as anthropology and forensic inference. At the same time, patterns of genetic diversity confound efforts to determine the genetic basis of complex disease. Due to technological advances, it is now possible to measure hundreds of thousands of genetic variants per individual across the genome. Principal component analysis (PCA) is routinely used to summarize the genetic similarity between subjects. The eigenvectors are interpreted as dimensions of ancestry. We build on this idea using a spectral graph approach. In the process we draw on connections between multidimensional scaling and spectral kernel methods. Our approach, based on a spectral embedding derived from the normalized Laplacian of a graph, can produce more meaningful delineation of ancestry than by using PCA. The method is stable to outliers and can more easily incorporate different similarity measures of genetic data than PCA. We illustrate a new algorithm for genetic clustering and association analysis on a large, genetically heterogeneous sample. PMID:20689656

Jahn-Teller effect on the [TiF 4F 4F int] 6-(C 4v) and [NiF 4F 4F int] 7-(C 4v) clusters embedded into SrF 2 crystals

NASA Astrophysics Data System (ADS)

Ulanov, V. A.; Zhiteitcev, E. R.; Varlamov, A. G.

2007-07-01

By means of EPR method the associative [TiF 4F 4F int] 6-(C 4v) and [NiF 4F 4F int] 7-(C 4v) centers were revealed in the fluorite type SrF 2:Ti and SrF 2:Ni crystals grown by Bridgman method in helium atmosphere containing some amount of a fluorine gas. It was found that at low temperatures the local structures of these associative centers were exposed to a static rhombic distortion. The reasons of such distortions were accounted for by the assumption that the E ⊗ ( b1 + b2) vibronic interaction became effective due to that the ground orbital states of the [TiF 4F 4F int] 6-(C 4v) and [NiF 4F 4F int] 7-(C 4v) centers occurred to be doubly degenerated.

Cooling rate dependence and local structure in aluminum monatomic metallic glass

NASA Astrophysics Data System (ADS)

Kbirou, M.; Trady, S.; Hasnaoui, A.; Mazroui, M.

2017-10-01

The local atomic structure in aluminium monatomic metallic glass is studied using molecular dynamics simulations combined with the embedded atom method (EAM). We have used a variety of analytical methods to characterise the atomic configurations of our system: the Pair Distribution Function (PDF), the Common Neighbour Analysis (CNA) and the Voronoi Tessellation Analysis. CNA was used to investigate the order change from liquid to amorphous phases, recognising that the amount of icosahedral clusters increases with the decrease of temperature. The Voronoi analysis revealed that the icosahedral-like polyhedral are the predominant ones. It has been observed that the PDF function shows a splitting in the second peak, which cannot be attributed to the only ideal icosahedral polyhedron 〈0, 0, 12, 0〉, but also to the formation of other Voronoi polyhedra 〈0, 1, 10, 2〉 . Further, the PDFs were then integrated giving the cumulative coordination number in order to compute the fractal dimension (df).

A novel sample preparation method to avoid influence of embedding medium during nano-indentation

NASA Astrophysics Data System (ADS)

Meng, Yujie; Wang, Siqun; Cai, Zhiyong; Young, Timothy M.; Du, Guanben; Li, Yanjun

2013-02-01

The effect of the embedding medium on the nano-indentation measurements of lignocellulosic materials was investigated experimentally using nano-indentation. Both the reduced elastic modulus and the hardness of non-embedded cell walls were found to be lower than those of the embedded samples, proving that the embedding medium used for specimen preparation on cellulosic material during nano-indentation can modify cell-wall properties. This leads to structural and chemical changes in the cell-wall constituents, changes that may significantly alter the material properties. Further investigation was carried out to detect the influence of different vacuum times on the cell-wall mechanical properties during the embedding procedure. Interpretation of the statistical analysis revealed no linear relationships between vacuum time and the mechanical properties of cell walls. The quantitative measurements confirm that low-viscosity resin has a rapid penetration rate early in the curing process. Finally, a novel sample preparation method aimed at preventing resin diffusion into lignocellulosic cell walls was developed using a plastic film to wrap the sample before embedding. This method proved to be accessible and straightforward for many kinds of lignocellulosic material, but is especially suitable for small, soft samples.

A testbed for optimizing electrodes embedded in the skull or in artificial skull replacement pieces used after injury

PubMed Central

Jiang, JingLe; Marathe, Amar R.; Keene, Jennifer C.; Taylor, Dawn M.

2016-01-01

Background Custom-fitted skull replacement pieces are often used after a head injury or surgery to replace damaged bone. Chronic brain recordings are beneficial after injury/surgery for monitoring brain health and seizure development. Embedding electrodes directly in these artificial skull replacement pieces would be a novel, low-risk way to perform chronic brain monitoring in these patients. Similarly, embedding electrodes directly in healthy skull would be a viable minimally-invasive option for many other neuroscience and neurotechnology applications requiring chronic brain recordings. New Method We demonstrate a preclinical testbed that can be used for refining electrode designs embedded in artificial skull replacement pieces or for embedding directly into the skull itself. Options are explored to increase the surface area of the contacts without increasing recording contact diameter to maximize recording resolution. Results Embedding electrodes in real or artificial skull allows one to lower electrode impedance without increasing the recording contact diameter by making use of conductive channels that extend into the skull. The higher density of small contacts embedded in the artificial skull in this testbed enables one to optimize electrode spacing for use in real bone. Comparison with Existing Methods For brain monitoring applications, skull-embedded electrodes fill a gap between electroencephalograms recorded on the scalp surface and the more invasive epidural or subdural electrode sheets. Conclusions Embedding electrodes into the skull or in skull replacement pieces may provide a safe, convenient, minimally-invasive alternative for chronic brain monitoring. The manufacturing methods described here will facilitate further testing of skull-embedded electrodes in animal models. PMID:27979758

Flux-gate magnetometer spin axis offset calibration using the electron drift instrument

NASA Astrophysics Data System (ADS)

Plaschke, Ferdinand; Nakamura, Rumi; Leinweber, Hannes K.; Chutter, Mark; Vaith, Hans; Baumjohann, Wolfgang; Steller, Manfred; Magnes, Werner

2014-10-01

Spin-stabilization of spacecraft immensely supports the in-flight calibration of on-board flux-gate magnetometers (FGMs). From 12 calibration parameters in total, 8 can be easily obtained by spectral analysis. From the remaining 4, the spin axis offset is known to be particularly variable. It is usually determined by analysis of Alfvénic fluctuations that are embedded in the solar wind. In the absence of solar wind observations, the spin axis offset may be obtained by comparison of FGM and electron drift instrument (EDI) measurements. The aim of our study is to develop methods that are readily usable for routine FGM spin axis offset calibration with EDI. This paper represents a major step forward in this direction. We improve an existing method to determine FGM spin axis offsets from EDI time-of-flight measurements by providing it with a comprehensive error analysis. In addition, we introduce a new, complementary method that uses EDI beam direction data instead of time-of-flight data. Using Cluster data, we show that both methods yield similarly accurate results, which are comparable yet more stable than those from a commonly used solar wind-based method.

New method for determining central axial orientation of flux rope embedded within current sheet using multipoint measurements

NASA Astrophysics Data System (ADS)

Li, ZhaoYu; Chen, Tao; Yan, GuangQing

2016-10-01

A new method for determining the central axial orientation of a two-dimensional coherent magnetic flux rope (MFR) via multipoint analysis of the magnetic-field structure is developed. The method is devised under the following geometrical assumptions: (1) on its cross section, the structure is left-right symmetric; (2) the projected structure velocity is vertical to the line of symmetry. The two conditions can be naturally satisfied for cylindrical MFRs and are expected to be satisfied for MFRs that are flattened within current sheets. The model test demonstrates that, for determining the axial orientation of such structures, the new method is more efficient and reliable than traditional techniques such as minimum-variance analysis of the magnetic field, Grad-Shafranov (GS) reconstruction, and the more recent method based on the cylindrically symmetric assumption. A total of five flux transfer events observed by Cluster are studied using the proposed approach, and the application results indicate that the observed structures, regardless of their actual physical properties, fit the assumed geometrical model well. For these events, the inferred axial orientations are all in excellent agreement with those obtained using the multi-GS reconstruction technique.

Dark Matter and Extragalactic Gas Clouds in the NGC 4532/DDO 137 System

NASA Technical Reports Server (NTRS)

Hoffman, G. L.; Lu, N. Y.; Salpeter, E. E.; Connell, B. M.

1998-01-01

H I synthesis mapping of NGC 4532 and DDO 137, a pair of Sm galaxies on the edge of the Virgo cluster, is used to determine rotation curves for each of the galaxies and to resolve the structure and kinematics of three extragalactic H I clouds embedded in an extended envelope of diffuse HI discovered in earlier Arecibo studies of the system.

ADAPTIVE METHODS FOR STOCHASTIC DIFFERENTIAL EQUATIONS VIA NATURAL EMBEDDINGS AND REJECTION SAMPLING WITH MEMORY.

PubMed

Rackauckas, Christopher; Nie, Qing

2017-01-01

Adaptive time-stepping with high-order embedded Runge-Kutta pairs and rejection sampling provides efficient approaches for solving differential equations. While many such methods exist for solving deterministic systems, little progress has been made for stochastic variants. One challenge in developing adaptive methods for stochastic differential equations (SDEs) is the construction of embedded schemes with direct error estimates. We present a new class of embedded stochastic Runge-Kutta (SRK) methods with strong order 1.5 which have a natural embedding of strong order 1.0 methods. This allows for the derivation of an error estimate which requires no additional function evaluations. Next we derive a general method to reject the time steps without losing information about the future Brownian path termed Rejection Sampling with Memory (RSwM). This method utilizes a stack data structure to do rejection sampling, costing only a few floating point calculations. We show numerically that the methods generate statistically-correct and tolerance-controlled solutions. Lastly, we show that this form of adaptivity can be applied to systems of equations, and demonstrate that it solves a stiff biological model 12.28x faster than common fixed timestep algorithms. Our approach only requires the solution to a bridging problem and thus lends itself to natural generalizations beyond SDEs.

ADAPTIVE METHODS FOR STOCHASTIC DIFFERENTIAL EQUATIONS VIA NATURAL EMBEDDINGS AND REJECTION SAMPLING WITH MEMORY

PubMed Central

Rackauckas, Christopher

2017-01-01

Adaptive time-stepping with high-order embedded Runge-Kutta pairs and rejection sampling provides efficient approaches for solving differential equations. While many such methods exist for solving deterministic systems, little progress has been made for stochastic variants. One challenge in developing adaptive methods for stochastic differential equations (SDEs) is the construction of embedded schemes with direct error estimates. We present a new class of embedded stochastic Runge-Kutta (SRK) methods with strong order 1.5 which have a natural embedding of strong order 1.0 methods. This allows for the derivation of an error estimate which requires no additional function evaluations. Next we derive a general method to reject the time steps without losing information about the future Brownian path termed Rejection Sampling with Memory (RSwM). This method utilizes a stack data structure to do rejection sampling, costing only a few floating point calculations. We show numerically that the methods generate statistically-correct and tolerance-controlled solutions. Lastly, we show that this form of adaptivity can be applied to systems of equations, and demonstrate that it solves a stiff biological model 12.28x faster than common fixed timestep algorithms. Our approach only requires the solution to a bridging problem and thus lends itself to natural generalizations beyond SDEs. PMID:29527134

Steganographic embedding in containers-images

NASA Astrophysics Data System (ADS)

Nikishova, A. V.; Omelchenko, T. A.; Makedonskij, S. A.

2018-05-01

Steganography is one of the approaches to ensuring the protection of information transmitted over the network. But a steganographic method should vary depending on a used container. According to statistics, the most widely used containers are images and the most common image format is JPEG. Authors propose a method of data embedding into a frequency area of images in format JPEG 2000. It is proposed to use the method of Benham-Memon- Yeo-Yeung, in which instead of discrete cosine transform, discrete wavelet transform is used. Two requirements for images are formulated. Structure similarity is chosen to obtain quality assessment of data embedding. Experiments confirm that requirements satisfaction allows achieving high quality assessment of data embedding.

Stretchable nanocomposite electrodes with tunable mechanical properties by supersonic cluster beam implantation in elastomers

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

Borghi, F.; Podestà, A.; Milani, P., E-mail: pmilani@mi.infn.it

We demonstrate the fabrication of gold-polydimethylsiloxane nanocomposite electrodes, by supersonic cluster beam implantation, with tunable Young's modulus depending solely on the amount of metal clusters implanted in the elastomeric matrix. We show both experimentally and by atomistic simulations that the mechanical properties of the nanocomposite can be maintained close to that of the bare elastomer for significant metal volume concentrations. Moreover, the elastic properties of the nanocomposite, as experimentally characterized by nanoindentation and modeled with molecular dynamics simulations, are also well described by the Guth-Gold classical model for nanoparticle-filled rubbers, which depends on the presence, concentration, and aspect ratio ofmore » metal nanoparticles, and not on the physical and chemical modification of the polymeric matrix due to the embedding process. The elastic properties of the nanocomposite can therefore be determined and engineered a priori, by controlling only the nanoparticle concentration.« less

Dynamic and Contextual Information in HMM Modeling for Handwritten Word Recognition.

PubMed

Bianne-Bernard, Anne-Laure; Menasri, Farès; Al-Hajj Mohamad, Rami; Mokbel, Chafic; Kermorvant, Christopher; Likforman-Sulem, Laurence

2011-10-01

This study aims at building an efficient word recognition system resulting from the combination of three handwriting recognizers. The main component of this combined system is an HMM-based recognizer which considers dynamic and contextual information for a better modeling of writing units. For modeling the contextual units, a state-tying process based on decision tree clustering is introduced. Decision trees are built according to a set of expert-based questions on how characters are written. Questions are divided into global questions, yielding larger clusters, and precise questions, yielding smaller ones. Such clustering enables us to reduce the total number of models and Gaussians densities by 10. We then apply this modeling to the recognition of handwritten words. Experiments are conducted on three publicly available databases based on Latin or Arabic languages: Rimes, IAM, and OpenHart. The results obtained show that contextual information embedded with dynamic modeling significantly improves recognition.

Participación científica del Nodo La Plata en el Proyecto VVV

NASA Astrophysics Data System (ADS)

Baume, G.; Fernández Lajús, E.; Feinstein, C.; Gamen, R.; Fariña, C.

We present here the main research lines related to the survey Vista Variables in the Vía Láctea (VVV) being carried out at "Node La Plata". These lines involve the study of stellar clusters and eclipsing systems. In this frame- work raises the following studies: a) An preliminar analysis of a group of embedded stellar clusters located in the fourth Galactic quadrant by estimat- ing their fundamental parameters using VVV data supplemented with data from other published catalogs. b) The provided methodology for the deter- mination of the eclipsing binary stars parameters for those ones detected in the survey from their light curves, including also extrasolar planets transits. FULL TEXT IN SPANISH

Cooperation of sperm in two dimensions: synchronization, attraction, and aggregation through hydrodynamic interactions.

PubMed

Yang, Yingzi; Elgeti, Jens; Gompper, Gerhard

2008-12-01

Sperm swimming at low Reynolds number have strong hydrodynamic interactions when their concentration is high in vivo or near substrates in vitro. The beating tails not only propel the sperm through a fluid, but also create flow fields through which sperm interact with each other. We study the hydrodynamic interaction and cooperation of sperm embedded in a two-dimensional fluid by using a particle-based mesoscopic simulation method, multiparticle collision dynamics. We analyze the sperm behavior by investigating the relationship between the beating-phase difference and the relative sperm position, as well as the energy consumption. Two effects of hydrodynamic interaction are found, synchronization and attraction. With these hydrodynamic effects, a multisperm system shows swarm behavior with a power-law dependence of the average cluster size on the width of the distribution of beating frequencies.

SAFT-assisted sound beam focusing using phased arrays (PA-SAFT) for non-destructive evaluation

NASA Astrophysics Data System (ADS)

Nanekar, Paritosh; Kumar, Anish; Jayakumar, T.

2015-04-01

Focusing of sound has always been a subject of interest in ultrasonic non-destructive evaluation. An integrated approach to sound beam focusing using phased array and synthetic aperture focusing technique (PA-SAFT) has been developed in the authors' laboratory. The approach involves SAFT processing on ultrasonic B-scan image collected by a linear array transducer using a divergent sound beam. The objective is to achieve sound beam focusing using fewer elements than the ones required using conventional phased array. The effectiveness of the approach is demonstrated on aluminium blocks with artificial flaws and steel plate samples with embedded volumetric weld flaws, such as slag and clustered porosities. The results obtained by the PA-SAFT approach are found to be comparable to those obtained by conventional phased array and full matrix capture - total focusing method approaches.

A family of four stages embedded explicit six-step methods with eliminated phase-lag and its derivatives for the numerical solution of the second order problems

NASA Astrophysics Data System (ADS)

Simos, T. E.

2017-11-01

A family of four stages high algebraic order embedded explicit six-step methods, for the numerical solution of second order initial or boundary-value problems with periodical and/or oscillating solutions, are studied in this paper. The free parameters of the new proposed methods are calculated solving the linear system of equations which is produced by requesting the vanishing of the phase-lag of the methods and the vanishing of the phase-lag's derivatives of the schemes. For the new obtained methods we investigate: • Its local truncation error (LTE) of the methods.• The asymptotic form of the LTE obtained using as model problem the radial Schrödinger equation.• The comparison of the asymptotic forms of LTEs for several methods of the same family. This comparison leads to conclusions on the efficiency of each method of the family.• The stability and the interval of periodicity of the obtained methods of the new family of embedded finite difference pairs.• The applications of the new obtained family of embedded finite difference pairs to the numerical solution of several second order problems like the radial Schrödinger equation, astronomical problems etc. The above applications lead to conclusion on the efficiency of the methods of the new family of embedded finite difference pairs.

Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

DOE PAGES

Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

2015-04-01

The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu 40Zr 51Al 9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at T x ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (T m ~ 900K),more » and the crossover temperature is roughly twice of the glass-transition temperature (T g). Below T x, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below T x and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

Embedding and Chemical Reactivation of Green Fluorescent Protein in the Whole Mouse Brain for Optical Micro-Imaging

PubMed Central

Gang, Yadong; Zhou, Hongfu; Jia, Yao; Liu, Ling; Liu, Xiuli; Rao, Gong; Li, Longhui; Wang, Xiaojun; Lv, Xiaohua; Xiong, Hanqing; Yang, Zhongqin; Luo, Qingming; Gong, Hui; Zeng, Shaoqun

2017-01-01

Resin embedding has been widely applied to fixing biological tissues for sectioning and imaging, but has long been regarded as incompatible with green fluorescent protein (GFP) labeled sample because it reduces fluorescence. Recently, it has been reported that resin-embedded GFP-labeled brain tissue can be imaged with high resolution. In this protocol, we describe an optimized protocol for resin embedding and chemical reactivation of fluorescent protein labeled mouse brain, we have used mice as experiment model, but the protocol should be applied to other species. This method involves whole brain embedding and chemical reactivation of the fluorescent signal in resin-embedded tissue. The whole brain embedding process takes a total of 7 days. The duration of chemical reactivation is ~2 min for penetrating 4 μm below the surface in the resin-embedded brain. This protocol provides an efficient way to prepare fluorescent protein labeled sample for high-resolution optical imaging. This kind of sample was demonstrated to be imaged by various optical micro-imaging methods. Fine structures labeled with GFP across a whole brain can be detected. PMID:28352214

Pharmacovigilance from social media: mining adverse drug reaction mentions using sequence labeling with word embedding cluster features.

PubMed

Nikfarjam, Azadeh; Sarker, Abeed; O'Connor, Karen; Ginn, Rachel; Gonzalez, Graciela

2015-05-01

Social media is becoming increasingly popular as a platform for sharing personal health-related information. This information can be utilized for public health monitoring tasks, particularly for pharmacovigilance, via the use of natural language processing (NLP) techniques. However, the language in social media is highly informal, and user-expressed medical concepts are often nontechnical, descriptive, and challenging to extract. There has been limited progress in addressing these challenges, and thus far, advanced machine learning-based NLP techniques have been underutilized. Our objective is to design a machine learning-based approach to extract mentions of adverse drug reactions (ADRs) from highly informal text in social media. We introduce ADRMine, a machine learning-based concept extraction system that uses conditional random fields (CRFs). ADRMine utilizes a variety of features, including a novel feature for modeling words' semantic similarities. The similarities are modeled by clustering words based on unsupervised, pretrained word representation vectors (embeddings) generated from unlabeled user posts in social media using a deep learning technique. ADRMine outperforms several strong baseline systems in the ADR extraction task by achieving an F-measure of 0.82. Feature analysis demonstrates that the proposed word cluster features significantly improve extraction performance. It is possible to extract complex medical concepts, with relatively high performance, from informal, user-generated content. Our approach is particularly scalable, suitable for social media mining, as it relies on large volumes of unlabeled data, thus diminishing the need for large, annotated training data sets. © The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association.

Star formation towards the southern cometary H II region IRAS 17256-3631

NASA Astrophysics Data System (ADS)

Veena, V. S.; Vig, S.; Tej, A.; Varricatt, W. P.; Ghosh, S. K.; Chandrasekhar, T.; Ashok, N. M.

2016-03-01

IRAS 17256-3631 is a southern Galactic massive star-forming region located at a distance of 2 kpc. In this paper, we present a multiwavelength investigation of the embedded cluster, the H II region, as well as the parent cloud. Radio images at 325, 610 and 1372 MHz were obtained using Giant Metrewave Radio Telescope, India while the near-infrared imaging and spectroscopy were carried out using United Kingdom Infrared Telescope and Mt. Abu Infrared Telescope, India. The near-infrared K-band image reveals the presence of a partially embedded infrared cluster. The spectral features of the brightest star in the cluster, IRS-1, spectroscopically agree with a late O or early B star and could be the driving source of this region. Filamentary H2 emission detected towards the outer envelope indicates the presence of highly excited gas. The parent cloud is investigated at far-infrared to millimetre wavelengths and 18 dust clumps have been identified. The spectral energy distributions of these clumps have been fitted as modified blackbodies and the best-fitting peak temperatures are found to range from 14 to 33 K, while the column densities vary from 0.7 to 8.5 × 1022 cm-2. The radio maps show a cometary morphology for the distribution of ionized gas that is density bounded towards the north-west and ionization bounded towards the south-east. This morphology is better explained with the champagne flow model as compared to the bow-shock model. Using observations at near-, mid- and far-infrared, submillimetre and radio wavelengths, we examine the evolutionary stages of various clumps.

A methodological study of genome-wide DNA methylation analyses using matched archival formalin-fixed paraffin embedded and fresh frozen breast tumors.

PubMed

Espinal, Allyson C; Wang, Dan; Yan, Li; Liu, Song; Tang, Li; Hu, Qiang; Morrison, Carl D; Ambrosone, Christine B; Higgins, Michael J; Sucheston-Campbell, Lara E

2017-02-28

DNA from archival formalin-fixed and paraffin embedded (FFPE) tissue is an invaluable resource for genome-wide methylation studies although concerns about poor quality may limit its use. In this study, we compared DNA methylation profiles of breast tumors using DNA from fresh-frozen (FF) tissues and three types of matched FFPE samples. For 9/10 patients, correlation and unsupervised clustering analysis revealed that the FF and FFPE samples were consistently correlated with each other and clustered into distinct subgroups. Greater than 84% of the top 100 loci previously shown to differentiate ER+ and ER- tumors in FF tissues were also FFPE DML. Weighted Correlation Gene Network Analyses (WCGNA) grouped the DML loci into 16 modules in FF tissue, with ~85% of the module membership preserved across tissue types. Restored FFPE and matched FF samples were profiled using the Illumina Infinium HumanMethylation450K platform. Methylation levels (β-values) across all loci and the top 100 loci previously shown to differentiate tumors by estrogen receptor status (ER+ or ER-) in a larger FF study, were compared between matched FF and FFPE samples using Pearson's correlation, hierarchical clustering and WCGNA. Positive predictive values and sensitivity levels for detecting differentially methylated loci (DML) in FF samples were calculated in an independent FFPE cohort. FFPE breast tumors samples show lower overall detection of DMLs versus FF, however FFPE and FF DMLs compare favorably. These results support the emerging consensus that the 450K platform can be employed to investigate epigenetics in large sets of archival FFPE tissues.

Improving the CD linearity and proximity performance of photomasks written on the Sigma7500-II DUV laser writer through embedded OPC

NASA Astrophysics Data System (ADS)

Österberg, Anders; Ivansen, Lars; Beyerl, Angela; Newman, Tom; Bowhill, Amanda; Sahouria, Emile; Schulze, Steffen

2007-10-01

Optical proximity correction (OPC) is widely used in wafer lithography to produce a printed image that best matches the design intent while optimizing CD control. OPC software applies corrections to the mask pattern data, but in general it does not compensate for the mask writer and mask process characteristics. The Sigma7500-II deep-UV laser mask writer projects the image of a programmable spatial light modulator (SLM) using partially coherent optics similar to wafer steppers, and the optical proximity effects of the mask writer are in principle correctable with established OPC methods. To enhance mask patterning, an embedded OPC function, LinearityEqualize TM, has been developed for the Sigma7500- II that is transparent to the user and which does not degrade mask throughput. It employs a Calibre TM rule-based OPC engine from Mentor Graphics, selected for the computational speed necessary for mask run-time execution. A multinode cluster computer applies optimized table-based CD corrections to polygonized pattern data that is then fractured into an internal writer format for subsequent data processing. This embedded proximity correction flattens the linearity behavior for all linewidths and pitches, which targets to improve the CD uniformity on production photomasks. Printing results show that the CD linearity is reduced to below 5 nm for linewidths down to 200 nm, both for clear and dark and for isolated and dense features, and that sub-resolution assist features (SRAF) are reliably printed down to 120 nm. This reduction of proximity effects for main mask features and the extension of the practical resolution for SRAFs expands the application space of DUV laser mask writing.

Simulating radiative feedback and star cluster formation in GMCs - II. Mass dependence of cloud destruction and cluster properties

NASA Astrophysics Data System (ADS)

Howard, Corey S.; Pudritz, Ralph E.; Harris, William E.

2017-09-01

The process of radiative feedback in giant molecular clouds (GMCs) is an important mechanism for limiting star cluster formation through the heating and ionization of the surrounding gas. We explore the degree to which radiative feedback affects early (≲5 Myr) cluster formation in GMCs having masses that range from 104 to 106 M⊙ using the flash code. The inclusion of radiative feedback lowers the efficiency of cluster formation by 20-50 per cent relative to hydrodynamic simulations. Two models in particular - 5 × 104 and 105 M⊙ - show the largest suppression of the cluster formation efficiency, corresponding to a factor of ˜2. For these clouds only, the internal energy, a measure of the energy injected by radiative feedback, exceeds the gravitational potential for a significant amount of time. We find a clear relation between the maximum cluster mass, Mc,max, formed in a GMC and the mass of the GMC itself, MGMC: Mc,max ∝ M_{GMC}^{0.81}. This scaling result suggests that young globular clusters at the necessary scale of 106 M⊙ form within host GMCs of masses near ˜5 × 107 M⊙. We compare simulated cluster mass distributions to the observed embedded cluster mass function [d log (N)/dlog (M) ∝ Mβ where β = -1] and find good agreement (β = -0.99 ± 0.14) only for simulations including radiative feedback, indicating this process is important in controlling the growth of young clusters. However, the high star formation efficiencies, which range from 16 to 21 per cent, and high star formation rates compared to locally observed regions suggest other feedback mechanisms are also important during the formation and growth of stellar clusters.

Nature's polyoxometalate chemistry: X-ray structure of the Mo storage protein loaded with discrete polynuclear Mo-O clusters.

PubMed

Kowalewski, Björn; Poppe, Juliane; Demmer, Ulrike; Warkentin, Eberhard; Dierks, Thomas; Ermler, Ulrich; Schneider, Klaus

2012-06-13

Some N(2)-fixing bacteria prolong the functionality of nitrogenase in molybdenum starvation by a special Mo storage protein (MoSto) that can store more than 100 Mo atoms. The presented 1.6 Å X-ray structure of MoSto from Azotobacter vinelandii reveals various discrete polyoxomolybdate clusters, three covalently and three noncovalently bound Mo(8), three Mo(5-7), and one Mo(3) clusters, and several low occupied, so far undefinable clusters, which are embedded in specific pockets inside a locked cage-shaped (αβ)(3) protein complex. The structurally identical Mo(8) clusters (three layers of two, four, and two MoO(n) octahedra) are distinguishable from the [Mo(8)O(26)](4-) cluster formed in acidic solutions by two displaced MoO(n) octahedra implicating three kinetically labile terminal ligands. Stabilization in the covalent Mo(8) cluster is achieved by Mo bonding to Hisα156-N(ε2) and Gluα129-O(ε1). The absence of covalent protein interactions in the noncovalent Mo(8) cluster is compensated by a more extended hydrogen-bond network involving three pronounced histidines. One displaced MoO(n) octahedron might serve as nucleation site for an inhomogeneous Mo(5-7) cluster largely surrounded by bulk solvent. In the Mo(3) cluster located on the 3-fold axis, the three accurately positioned His140-N(ε2) atoms of the α subunits coordinate to the Mo atoms. The formed polyoxomolybdate clusters of MoSto, not detectable in bulk solvent, are the result of an interplay between self- and protein-driven assembly processes that unite inorganic supramolecular and protein chemistry in a host-guest system. Template, nucleation/protection, and catalyst functions of the polypeptide as well as perspectives for designing new clusters are discussed.

Bottom-up strategies for the assembling of magnetic systems using nanoclusters

NASA Astrophysics Data System (ADS)

Dupuis, V.; Hillion, A.; Robert, A.; Loiselet, O.; Khadra, G.; Capiod, P.; Albin, C.; Boisron, O.; Le Roy, D.; Bardotti, L.; Tournus, F.; Tamion, A.

2018-05-01

In the frame of the 20th Anniversary of the Journal of Nanoparticle Research (JNR), our aim is to start from the historical context 20 years ago and to give some recent results and perspectives concerning nanomagnets prepared from clusters preformed in the gas phase using the low-energy cluster beam deposition (LECBD) technique. In this paper, we focus our attention on the typical case of Co clusters embedded in various matrices to study interface magnetic anisotropy and magnetic interactions as a function of volume concentrations, and on still current and perspectives through two examples of binary metallic 3d-5d TM (namely CoPt and FeAu) cluster assemblies to illustrate size-related and nanoalloy phenomena on magnetic properties in well-defined mass-selected clusters. The structural and magnetic properties of these cluster assemblies were investigated using various experimental techniques that include high-resolution transmission electron microscopy (HRTEM), superconducting quantum interference device (SQUID) magnetometry, and synchrotron techniques such as extended X-ray absorption fine structure (EXAFS) and X-ray magnetic circular dichroism (XMCD). Depending on the chemical nature of both NPs and matrix, we observe different magnetic responses compared to their bulk counterparts. In particular, we show how finite size effects (size reduction) enhance their magnetic moment and how specific relaxation in nanoalloys can impact their magnetic anisotropy.

Entomological impact and social participation in dengue control: a cluster randomized trial in Fortaleza, Brazil

PubMed Central

Caprara, Andrea; De Oliveira Lima, José Wellington; Rocha Peixoto, Ana Carolina; Vasconcelos Motta, Cyntia Monteiro; Soares Nobre, Joana Mary; Sommerfeld, Johannes; Kroeger, Axel

2015-01-01

Background This study intended to implement a novel intervention strategy, in Brazil, using an ecohealth approach and analyse its effectiveness and costs in reducing Aedes aegypti vector density as well as its acceptance, feasibility and sustainability. The intervention was conducted from 2012 to 2013 in the municipality of Fortaleza, northeast Brazil. Methodology A cluster randomized controlled trial was designed by comparing ten intervention clusters with ten control clusters where routine vector control activities were conducted. The intervention included: community workshops; community involvement in clean-up campaigns; covering the elevated containers and in-house rubbish disposal without larviciding; mobilization of schoolchildren and senior inhabitants; and distribution of information, education and communication (IEC) materials in the community. Results Differences in terms of social participation, commitment and leadership were present in the clusters. The results showed the effectiveness of the intervention package in comparison with the routine control programme. Differences regarding the costs of the intervention were reasonable and could be adopted by public health services. Conclusions Embedding social participation and environmental management for improved dengue vector control was feasible and significantly reduced vector densities. Such a participatory ecohealth approach offers a promising alternative to routine vector control measures. PMID:25604760

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization.

PubMed

Neustetter, M; Jabbour Al Maalouf, E; Limão-Vieira, P; Denifl, S

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO)6) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO)6 clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO)n (+) (0 ≤ n ≤ 6) and W2(CO)n (+) (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO)n (+) (0 ≤ n ≤ 3) and W2C(CO)n (+) (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.

Rigidity of transmembrane proteins determines their cluster shape

NASA Astrophysics Data System (ADS)

Jafarinia, Hamidreza; Khoshnood, Atefeh; Jalali, Mir Abbas

2016-01-01

Protein aggregation in cell membrane is vital for the majority of biological functions. Recent experimental results suggest that transmembrane domains of proteins such as α -helices and β -sheets have different structural rigidities. We use molecular dynamics simulation of a coarse-grained model of protein-embedded lipid membranes to investigate the mechanisms of protein clustering. For a variety of protein concentrations, our simulations under thermal equilibrium conditions reveal that the structural rigidity of transmembrane domains dramatically affects interactions and changes the shape of the cluster. We have observed stable large aggregates even in the absence of hydrophobic mismatch, which has been previously proposed as the mechanism of protein aggregation. According to our results, semiflexible proteins aggregate to form two-dimensional clusters, while rigid proteins, by contrast, form one-dimensional string-like structures. By assuming two probable scenarios for the formation of a two-dimensional triangular structure, we calculate the lipid density around protein clusters and find that the difference in lipid distribution around rigid and semiflexible proteins determines the one- or two-dimensional nature of aggregates. It is found that lipids move faster around semiflexible proteins than rigid ones. The aggregation mechanism suggested in this paper can be tested by current state-of-the-art experimental facilities.

A Photometrically Detected Forming Cluster of Galaxies at Redshift 1.6 in the GOODS Field

NASA Astrophysics Data System (ADS)

Castellano, M.; Salimbeni, S.; Trevese, D.; Grazian, A.; Pentericci, L.; Fiore, F.; Fontana, A.; Giallongo, E.; Santini, P.; Cristiani, S.; Nonino, M.; Vanzella, E.

2007-12-01

We report the discovery of a localized overdensity at z~1.6 in the GOODS-South field, presumably a poor cluster in the process of formation. The three-dimensional galaxy density has been estimated on the basis of well-calibrated photometric redshifts from the multiband photometric GOODS-MUSIC catalog using the (2+1)-dimensional technique. The density peak is embedded in the larger scale overdensity of galaxies known to exist at z=1.61 in the area. The properties of the member galaxies are compared to those of the surrounding field, and we find that the two populations are significantly different, supporting the reality of the structure. The reddest galaxies, once evolved according to their best-fit models, have colors consistent with the red sequence of lower redshift clusters. The estimated M200 total mass of the cluster is in the range 1.3×1014-5.7×1014 Msolar, depending on the assumed bias factor b. An upper limit for the 2-10 keV X-ray luminosity, based on the 1 Ms Chandra observations, is LX=0.5×1043 erg s-1, suggesting that the cluster has not yet reached the virial equilibrium.

Cluster Formation of Anchored Proteins Induced by Membrane-Mediated Interaction

PubMed Central

Li, Shuangyang; Zhang, Xianren; Wang, Wenchuan

2010-01-01

Abstract Computer simulations were used to study the cluster formation of anchored proteins in a membrane. The rate and extent of clustering was found to be dependent upon the hydrophobic length of the anchored proteins embedded in the membrane. The cluster formation mechanism of anchored proteins in our work was ascribed to the different local perturbations on the upper and lower monolayers of the membrane and the intermonolayer coupling. Simulation results demonstrated that only when the penetration depth of anchored proteins was larger than half the membrane thickness, could the structure of the lower monolayer be significantly deformed. Additionally, studies on the local structures of membranes indicated weak perturbation of bilayer thickness for a shallowly inserted protein, while there was significant perturbation for a more deeply inserted protein. The origin of membrane-mediated protein-protein interaction is therefore due to the local perturbation of the membrane thickness, and the entropy loss—both of which are caused by the conformation restriction on the lipid chains and the enhanced intermonolayer coupling for a deeply inserted protein. Finally, in this study we addressed the difference of cluster formation mechanisms between anchored proteins and transmembrane proteins. PMID:20513399

Dehydration, Dehydrogenation, and Condensation of Alcohols on Supported Oxide Catalysts Based on Cyclic (WO3)3 and (MoO3)3 Clusters

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

Rousseau, Roger J.; Dixon, David A.; Kay, Bruce D.

2014-01-01

Supported early transition metal oxides have important applications in numerous catalytic reactions. In this article we review preparation and activity of well-defined model WO3 and MoO3 catalysts prepared via deposition of cyclic gas-phase (WO3)3 and (MoO3)3 clusters generated by sublimation of WO3 and MoO3 powders. Conversion of small aliphatic alcohols to alkenes, aldehydes/ketons, and ethers is employed to probe the structure-activity relationships on model WO3 and MoO3 catalysts ranging from unsupported (WO3)3 and (MoO3)3 clusters embedded in alcohol matrices, to (WO3)3 clusters supported on surfaces of other oxides, and epitaxial and nanoporous WO3 films. Detailed theoretical calculations reveal the underlyingmore » reaction mechanisms and provide insight into the origin of the differences in the WO3 and MoO3 reactivity. For the range of interrogated (WO3)3 they further shed light into the role structure and binding of (WO3)3 clusters with the support play in determining their catalytic activity.« less

PatterNet: a system to learn compact physical design pattern representations for pattern-based analytics

NASA Astrophysics Data System (ADS)

Lutich, Andrey

2017-07-01

This research considers the problem of generating compact vector representations of physical design patterns for analytics purposes in semiconductor patterning domain. PatterNet uses a deep artificial neural network to learn mapping of physical design patterns to a compact Euclidean hyperspace. Distances among mapped patterns in this space correspond to dissimilarities among patterns defined at the time of the network training. Once the mapping network has been trained, PatterNet embeddings can be used as feature vectors with standard machine learning algorithms, and pattern search, comparison, and clustering become trivial problems. PatterNet is inspired by the concepts developed within the framework of generative adversarial networks as well as the FaceNet. Our method facilitates a deep neural network (DNN) to learn directly the compact representation by supplying it with pairs of design patterns and dissimilarity among these patterns defined by a user. In the simplest case, the dissimilarity is represented by an area of the XOR of two patterns. Important to realize that our PatterNet approach is very different to the methods developed for deep learning on image data. In contrast to "conventional" pictures, the patterns in the CAD world are the lists of polygon vertex coordinates. The method solely relies on the promise of deep learning to discover internal structure of the incoming data and learn its hierarchical representations. Artificial intelligence arising from the combination of PatterNet and clustering analysis very precisely follows intuition of patterning/optical proximity correction experts paving the way toward human-like and human-friendly engineering tools.

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

McDonald, M.; Allen, S. W.; Bayliss, M.

We present the results of a Chandra X-ray survey of the 8 most massive galaxy clusters at z>1.2 in the South Pole Telescope 2500 deg^2 survey. We combine this sample with previously-published Chandra observations of 49 massive X-ray-selected clusters at 00.2R500 scaling like E(z)^2. In the centers of clusters (r<0.1R500), we find significant deviations from self similarity (n_e ~ E(z)^{0.1+/-0.5}), consistent with no redshift dependence. When we isolate clusters with over-dense cores (i.e., cool cores), we find that the average over-density profile has not evolved with redshift -- that is, cool cores have not changed in size, density, or totalmore » mass over the past ~9-10 Gyr. We show that the evolving "cuspiness" of clusters in the X-ray, reported by several previous studies, can be understood in the context of a cool core with fixed properties embedded in a self similarly-evolving cluster. We find no measurable evolution in the X-ray morphology of massive clusters, seemingly in tension with the rapidly-rising (with redshift) rate of major mergers predicted by cosmological simulations. We show that these two results can be brought into agreement if we assume that the relaxation time after a merger is proportional to the crossing time, since the latter is proportional to H(z)^(-1).« less

Experimental study on cross-sensitivity of temperature and vibration of embedded fiber Bragg grating sensors

NASA Astrophysics Data System (ADS)

Chen, Tao; Ye, Meng-li; Liu, Shu-liang; Deng, Yan

2018-03-01

In view of the principle for occurrence of cross-sensitivity, a series of calibration experiments are carried out to solve the cross-sensitivity problem of embedded fiber Bragg gratings (FBGs) using the reference grating method. Moreover, an ultrasonic-vibration-assisted grinding (UVAG) model is established, and finite element analysis (FEA) is carried out under the monitoring environment of embedded temperature measurement system. In addition, the related temperature acquisition tests are set in accordance with requirements of the reference grating method. Finally, comparative analyses of the simulation and experimental results are performed, and it may be concluded that the reference grating method may be utilized to effectively solve the cross-sensitivity of embedded FBGs.

Feature Genes Selection Using Supervised Locally Linear Embedding and Correlation Coefficient for Microarray Classification

PubMed Central

Wang, Yun; Huang, Fangzhou

2018-01-01

The selection of feature genes with high recognition ability from the gene expression profiles has gained great significance in biology. However, most of the existing methods have a high time complexity and poor classification performance. Motivated by this, an effective feature selection method, called supervised locally linear embedding and Spearman's rank correlation coefficient (SLLE-SC2), is proposed which is based on the concept of locally linear embedding and correlation coefficient algorithms. Supervised locally linear embedding takes into account class label information and improves the classification performance. Furthermore, Spearman's rank correlation coefficient is used to remove the coexpression genes. The experiment results obtained on four public tumor microarray datasets illustrate that our method is valid and feasible. PMID:29666661

Feature Genes Selection Using Supervised Locally Linear Embedding and Correlation Coefficient for Microarray Classification.

PubMed

Xu, Jiucheng; Mu, Huiyu; Wang, Yun; Huang, Fangzhou

2018-01-01

The selection of feature genes with high recognition ability from the gene expression profiles has gained great significance in biology. However, most of the existing methods have a high time complexity and poor classification performance. Motivated by this, an effective feature selection method, called supervised locally linear embedding and Spearman's rank correlation coefficient (SLLE-SC 2 ), is proposed which is based on the concept of locally linear embedding and correlation coefficient algorithms. Supervised locally linear embedding takes into account class label information and improves the classification performance. Furthermore, Spearman's rank correlation coefficient is used to remove the coexpression genes. The experiment results obtained on four public tumor microarray datasets illustrate that our method is valid and feasible.

Data embedding

DOEpatents

Sandford, II, Maxwell T.; Handel, Theodore G.

1997-01-01

A method of embedding auxiliary information into a set of host data, such as a photograph, television signal, facsimile transmission, or identification card. All such host data contain intrinsic noise, allowing pixels in the host data which are nearly identical and which have values differing by less than the noise value to be manipulated and replaced with auxiliary data. As the embedding method does not change the elemental values of the host data, the auxiliary data do not noticeably affect the appearance or interpretation of the host data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user.

Data embedding

DOEpatents

Sandford, M.T. II; Handel, T.G.

1997-08-19

A method is disclosed for embedding auxiliary information into a set of host data, such as a photograph, television signal, facsimile transmission, or identification card. All such host data contain intrinsic noise, allowing pixels in the host data which are nearly identical and which have values differing by less than the noise value to be manipulated and replaced with auxiliary data. As the embedding method does not change the elemental values of the host data, the auxiliary data do not noticeably affect the appearance or interpretation of the host data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user. 19 figs.

Inferring gene ontologies from pairwise similarity data

PubMed Central

Kramer, Michael; Dutkowski, Janusz; Yu, Michael; Bafna, Vineet; Ideker, Trey

2014-01-01

Motivation: While the manually curated Gene Ontology (GO) is widely used, inferring a GO directly from -omics data is a compelling new problem. Recognizing that ontologies are a directed acyclic graph (DAG) of terms and hierarchical relations, algorithms are needed that: analyze a full matrix of gene–gene pairwise similarities from -omics data;infer true hierarchical structure in these data rather than enforcing hierarchy as a computational artifact; andrespect biological pleiotropy, by which a term in the hierarchy can relate to multiple higher level terms. Methods addressing these requirements are just beginning to emerge—none has been evaluated for GO inference. Methods: We consider two algorithms [Clique Extracted Ontology (CliXO), LocalFitness] that uniquely satisfy these requirements, compared with methods including standard clustering. CliXO is a new approach that finds maximal cliques in a network induced by progressive thresholding of a similarity matrix. We evaluate each method’s ability to reconstruct the GO biological process ontology from a similarity matrix based on (a) semantic similarities for GO itself or (b) three -omics datasets for yeast. Results: For task (a) using semantic similarity, CliXO accurately reconstructs GO (>99% precision, recall) and outperforms other approaches (<20% precision, <20% recall). For task (b) using -omics data, CliXO outperforms other methods using two -omics datasets and achieves ∼30% precision and recall using YeastNet v3, similar to an earlier approach (Network Extracted Ontology) and better than LocalFitness or standard clustering (20–25% precision, recall). Conclusion: This study provides algorithmic foundation for building gene ontologies by capturing hierarchical and pleiotropic structure embedded in biomolecular data. Contact: tideker@ucsd.edu PMID:24932003

Illumina whole-genome complementary DNA-mediated annealing, selection, extension and ligation platform: assessing its performance in formalin-fixed, paraffin-embedded samples and identifying invasion pattern-related genes in oral squamous cell carcinoma.

PubMed

Loudig, Olivier; Brandwein-Gensler, Margaret; Kim, Ryung S; Lin, Juan; Isayeva, Tatyana; Liu, Christina; Segall, Jeffrey E; Kenny, Paraic A; Prystowsky, Michael B

2011-12-01

High-throughput gene expression profiling from formalin-fixed, paraffin-embedded tissues has become a reality, and several methods are now commercially available. The Illumina whole-genome complementary DNA-mediated annealing, selection, extension and ligation assay (Illumina, Inc) is a full-transcriptome version of the original 512-gene complementary DNA-mediated annealing, selection, extension and ligation assay, allowing high-throughput profiling of 24,526 annotated genes from degraded and formalin-fixed, paraffin-embedded RNA. This assay has the potential to allow identification of novel gene signatures associated with clinical outcome using banked archival pathology specimen resources. We tested the reproducibility of the whole-genome complementary DNA-mediated annealing, selection, extension and ligation assay and its sensitivity for detecting differentially expressed genes in RNA extracted from matched fresh and formalin-fixed, paraffin-embedded cells, after 1 and 13 months of storage, using the human breast cell lines MCF7 and MCF10A. Then, using tumor worst pattern of invasion as a classifier, 1 component of the "risk model," we selected 12 formalin-fixed, paraffin-embedded oral squamous cell carcinomas for whole-genome complementary DNA-mediated annealing, selection, extension and ligation assay analysis. We profiled 5 tumors with nonaggressive, nondispersed pattern of invasion, and 7 tumors with aggressive dispersed pattern of invasion and satellites scattered at least 1 mm apart. To minimize variability, the formalin-fixed, paraffin-embedded specimens were prepared from snap-frozen tissues, and RNA was obtained within 24 hours of fixation. One hundred four down-regulated genes and 72 up-regulated genes in tumors with aggressive dispersed pattern of invasion were identified. We performed quantitative reverse transcriptase polymerase chain reaction validation of 4 genes using Taqman assays and in situ protein detection of 1 gene by immunohistochemistry. Functional cluster analysis of genes up-regulated in tumors with aggressive pattern of invasion suggests presence of genes involved in cellular cytoarchitecture, some of which already associated with tumor invasion. Identification of these genes provides biologic rationale for our histologic classification, with regard to tumor invasion, and demonstrates that the whole-genome complementary DNA-mediated annealing, selection, extension and ligation assay is a powerful assay for profiling degraded RNA from archived specimens when combined with quantitative reverse transcriptase polymerase chain reaction validation. Copyright © 2011 Elsevier Inc. All rights reserved.

Evaluation of a Silver-Embedded Ceramic Tablet as a Primary and Secondary Point-of-Use Water Purification Technology in Limpopo Province, S. Africa

PubMed Central

Ehdaie, Beeta; Rento, Chloe T.; Son, Veronica; Turner, Sydney S.; Samie, Amidou; Dillingham, Rebecca A.

2017-01-01

The World Health Organization (WHO) recognizes point-of-use water treatment (PoUWT) technologies as effective means to improve water quality. This paper investigates long-term performance and social acceptance of a novel PoUWT technology, a silver-infused ceramic tablet, in Limpopo Province, South Africa. When placed in a water storage container, the silver-embedded ceramic tablet releases silver ions into water, thereby disinfecting microbial pathogens and leaving the water safe for human consumption. As a result of its simplicity and efficiency, the silver-embedded ceramic tablet can serve as a stand-alone PoUWT method and as a secondary PoUWT to improve exisitng PoUWT methods, such as ceramic water filters. In this paper, three PoUWT interventions were conducted to evaluate the silver-embedded ceramic tablet: (1) the silver-embedded ceramic tablet as a stand-alone PoUWT method, (2) ceramic water filters stand-alone, and (3) a filter-tablet combination. The filter-tablet combination evaluates the silver-embedded ceramic tablet as a secondary PoUWT method when placed in the lower reservoir of the ceramic water filter system to provide residual disinfection post-filtration. Samples were collected from 79 households over one year and analyzed for turbidity, total silver levels and coliform bacteria. Results show that the silver-embedded ceramic tablet effectively reduced total coliform bacteria (TC) and E. coli when used as a stand-alone PoUWT method and when used in combination with ceramic water filters. The silver-embedded ceramic tablet’s performance as a stand-alone PoUWT method was comparable to current inexpensive, single-use PoUWT methods, demonstrating 100% and 75% median reduction in E. coli and TC, respectively, after two months of use. Overall, the the filter-tablet combination performed the best of the three interventions, providing a 100% average percent reduction in E. coli over one year. User surveys were also conducted and indicated that the silver-embedded ceramic tablet was simple to use and culturally appropriate. Also, silver levels in all treated water samples remained below 20 μg/L, significantly lower than the drinking water standard of 100 μg/L, making it safe for consumption. Long-term data demonstrates that the silver-embedded ceramic tablet has beneficial effects even after one year of use. This study demonstrates that the silver-embedded ceramic tablet can effectively improve water quality when used alone, or with ceramic water filters, to reduce rates of recontamination. Therefore, the tablet has the potential to provide a low-cost means to purify water in resource-limited settings. PMID:28095435

Evaluation of a Silver-Embedded Ceramic Tablet as a Primary and Secondary Point-of-Use Water Purification Technology in Limpopo Province, S. Africa.

PubMed

Ehdaie, Beeta; Rento, Chloe T; Son, Veronica; Turner, Sydney S; Samie, Amidou; Dillingham, Rebecca A; Smith, James A

2017-01-01

The World Health Organization (WHO) recognizes point-of-use water treatment (PoUWT) technologies as effective means to improve water quality. This paper investigates long-term performance and social acceptance of a novel PoUWT technology, a silver-infused ceramic tablet, in Limpopo Province, South Africa. When placed in a water storage container, the silver-embedded ceramic tablet releases silver ions into water, thereby disinfecting microbial pathogens and leaving the water safe for human consumption. As a result of its simplicity and efficiency, the silver-embedded ceramic tablet can serve as a stand-alone PoUWT method and as a secondary PoUWT to improve exisitng PoUWT methods, such as ceramic water filters. In this paper, three PoUWT interventions were conducted to evaluate the silver-embedded ceramic tablet: (1) the silver-embedded ceramic tablet as a stand-alone PoUWT method, (2) ceramic water filters stand-alone, and (3) a filter-tablet combination. The filter-tablet combination evaluates the silver-embedded ceramic tablet as a secondary PoUWT method when placed in the lower reservoir of the ceramic water filter system to provide residual disinfection post-filtration. Samples were collected from 79 households over one year and analyzed for turbidity, total silver levels and coliform bacteria. Results show that the silver-embedded ceramic tablet effectively reduced total coliform bacteria (TC) and E. coli when used as a stand-alone PoUWT method and when used in combination with ceramic water filters. The silver-embedded ceramic tablet's performance as a stand-alone PoUWT method was comparable to current inexpensive, single-use PoUWT methods, demonstrating 100% and 75% median reduction in E. coli and TC, respectively, after two months of use. Overall, the the filter-tablet combination performed the best of the three interventions, providing a 100% average percent reduction in E. coli over one year. User surveys were also conducted and indicated that the silver-embedded ceramic tablet was simple to use and culturally appropriate. Also, silver levels in all treated water samples remained below 20 μg/L, significantly lower than the drinking water standard of 100 μg/L, making it safe for consumption. Long-term data demonstrates that the silver-embedded ceramic tablet has beneficial effects even after one year of use. This study demonstrates that the silver-embedded ceramic tablet can effectively improve water quality when used alone, or with ceramic water filters, to reduce rates of recontamination. Therefore, the tablet has the potential to provide a low-cost means to purify water in resource-limited settings.

Panchromatic observations of dwarf starburst galaxies: Infant super star clusters and a low-luminosity AGN

NASA Astrophysics Data System (ADS)

Reines, Amy Ellen

2011-01-01

Globular star clusters and supermassive black holes are fundamental components of today's massive galaxies, with origins dating back to the very early universe. Both globular clusters and the seeds of supermassive black holes are believed to have formed in the progenitors of modern massive galaxies, although the details are poorly understood. Direct observations of these low-mass, distant, and hence faint systems are unobtainable with current capabilities. However, gas-rich dwarf starburst galaxies in the local universe, analogous in many ways to protogalaxies at high-redshift, can provide critical insight into the early stages of galaxy evolution including the formation of globular clusters and massive black holes. This thesis presents a panchromatic study of nearby dwarf starburst galaxies harboring nascent globular clusters still embedded in their birth material. Infant clusters are identified via their production of thermal radio emission at centimeter wavelengths, which comes from dense gas ionized by young massive stars. By combining radio observations with complementary data at ultraviolet, optical and infrared wavelengths, we obtain a comprehensive view of massive clusters emerging from their gaseous and dusty birth cocoons. This thesis also presents the first example of a nearby dwarf starburst galaxy hosting an actively accreting massive central black hole. The black hole in this dwarf galaxy is unusual in that it is not associated with a bulge, a nuclear star cluster, or any other well-defined nucleus, likely reflecting an early phase of black hole and galaxy evolution that has not been previously observed.

AGES OF STAR CLUSTERS IN THE TIDAL TAILS OF MERGING GALAXIES

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

Mulia, A. J.; Chandar, R.; Whitmore, B. C.

We study the stellar content in the tidal tails of three nearby merging galaxies, NGC 520, NGC 2623, and NGC 3256, using BVI imaging taken with the Advanced Camera for Surveys on board the Hubble Space Telescope. The tidal tails in all three systems contain compact and fairly massive young star clusters, embedded in a sea of diffuse, unresolved stellar light. We compare the measured colors and luminosities with predictions from population synthesis models to estimate cluster ages and find that clusters began forming in tidal tails during or shortly after the formation of the tails themselves. We find amore » lack of very young clusters (≤10 Myr old), implying that eventually star formation shuts off in the tails as the gas is used up or dispersed. There are a few clusters in each tail with estimated ages that are older than the modeled tails themselves, suggesting that these may have been stripped out from the original galaxy disks. The luminosity function of the tail clusters can be described by a single power-law, dN/dL ∝ L{sup α}, with −2.6 < α < −2.0. We find a stellar age gradient across some of the tidal tails, which we interpret as a superposition of (1) newly formed stars and clusters along the dense center of the tail and (2) a sea of broadly distributed, older stellar material ejected from the progenitor galaxies.« less

The Remarkable Similarity of Massive Galaxy Clusters from z ~ 0 to z ~ 1.9

DOE PAGES

McDonald, M.; Allen, S. W.; Bayliss, M.; ...

2017-06-28

We present the results of a Chandra X-ray survey of the 8 most massive galaxy clusters at z>1.2 in the South Pole Telescope 2500 deg^2 survey. We combine this sample with previously-published Chandra observations of 49 massive X-ray-selected clusters at 00.2R500 scaling like E(z)^2. In the centers of clusters (r<0.1R500), we find significant deviations from self similarity (n_e ~ E(z)^{0.1+/-0.5}), consistent with no redshift dependence. When we isolate clusters with over-dense cores (i.e., cool cores), we find that the average over-density profile has not evolved with redshift -- that is, cool cores have not changed in size, density, or totalmore » mass over the past ~9-10 Gyr. We show that the evolving "cuspiness" of clusters in the X-ray, reported by several previous studies, can be understood in the context of a cool core with fixed properties embedded in a self similarly-evolving cluster. We find no measurable evolution in the X-ray morphology of massive clusters, seemingly in tension with the rapidly-rising (with redshift) rate of major mergers predicted by cosmological simulations. We show that these two results can be brought into agreement if we assume that the relaxation time after a merger is proportional to the crossing time, since the latter is proportional to H(z)^(-1).« less

Connecting the small scale to the large scale: young massive stars and their environments from the Red MSX Source Survey.

NASA Astrophysics Data System (ADS)

Figura, Charles C.; Urquhart, James S.; Morgan, Lawrence

2015-01-01

We have conducted a detailed multi-wavelength investigation of a variety of massive star forming regions in order to characterise the impact of the interactions between the substructure of the dense protostellar clumps and their local environment, including feedback from the embedded proto-cluster.A selection of 70 MYSOs and HII regions identified by the RMS survey have been followed up with observations of the ammonia (1,1) and (2,2) inversion transitions made with the KFPA on the GBT. These maps have been combined with archival CO data to investigate the thermal and kinematic structure of the extended envelopes down to the dense clumps. We complement this larger-scale picture with high resolution near- and mid-infrared images to probe the properties of the embedded objects themselves.We present an overview of several sources from this sample that illustrate some of the the interactions that we observe. We find that high molecular column densities and kinetic temperatures are coincident with embedded sources and with shocks and outflows as exhibited in gas kinematics.

Digital Breast Tomosynthesis: Observer Performance of Clustered Microcalcification Detection on Breast Phantom Images Acquired with an Experimental System Using Variable Scan Angles, Angular Increments, and Number of Projection Views

PubMed Central

Goodsitt, Mitchell M.; Helvie, Mark A.; Zelakiewicz, Scott; Schmitz, Andrea; Noroozian, Mitra; Paramagul, Chintana; Roubidoux, Marilyn A.; Nees, Alexis V.; Neal, Colleen H.; Carson, Paul; Lu, Yao; Hadjiiski, Lubomir; Wei, Jun

2014-01-01

Purpose To investigate the dependence of microcalcification cluster detectability on tomographic scan angle, angular increment, and number of projection views acquired at digital breast tomosynthesis (DBTdigital breast tomosynthesis). Materials and Methods A prototype DBTdigital breast tomosynthesis system operated in step-and-shoot mode was used to image breast phantoms. Four 5-cm-thick phantoms embedded with 81 simulated microcalcification clusters of three speck sizes (subtle, medium, and obvious) were imaged by using a rhodium target and rhodium filter with 29 kV, 50 mAs, and seven acquisition protocols. Fixed angular increments were used in four protocols (denoted as scan angle, angular increment, and number of projection views, respectively: 16°, 1°, and 17; 24°, 3°, and nine; 30°, 3°, and 11; and 60°, 3°, and 21), and variable increments were used in three (40°, variable, and 13; 40°, variable, and 15; and 60°, variable, and 21). The reconstructed DBTdigital breast tomosynthesis images were interpreted by six radiologists who located the microcalcification clusters and rated their conspicuity. Results The mean sensitivity for detection of subtle clusters ranged from 80% (22.5 of 28) to 96% (26.8 of 28) for the seven DBTdigital breast tomosynthesis protocols; the highest sensitivity was achieved with the 16°, 1°, and 17 protocol (96%), but the difference was significant only for the 60°, 3°, and 21 protocol (80%, P < .002) and did not reach significance for the other five protocols (P = .01–.15). The mean sensitivity for detection of medium and obvious clusters ranged from 97% (28.2 of 29) to 100% (24 of 24), but the differences fell short of significance (P = .08 to >.99). The conspicuity of subtle and medium clusters with the 16°, 1°, and 17 protocol was rated higher than those with other protocols; the differences were significant for subtle clusters with the 24°, 3°, and nine protocol and for medium clusters with 24°, 3°, and nine; 30°, 3°, and 11; 60°, 3° and 21; and 60°, variable, and 21 protocols (P < .002). Conclusion With imaging that did not include x-ray source motion or patient motion during acquisition of the projection views, narrow-angle DBTdigital breast tomosynthesis provided higher sensitivity and conspicuity than wide-angle DBTdigital breast tomosynthesis for subtle microcalcification clusters. © RSNA, 2014 PMID:25007048

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

Olshevsky, Vyacheslav; Lapenta, Giovanni; Divin, Andrey

We use kinetic particle-in-cell and MHD simulations supported by an observational data set to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of “intermittent turbulence” within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null linesmore » embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging and vanishing, associated with electron streams and small-scale current sheets. The number of spiral nulls in the simulation outweighs the number of radial nulls by a factor of 5–10, in accordance with Cluster observations in the Earth's magnetosheath. Twisted magnetic fields with embedded spiral null points might indicate the regions of major energy dissipation for future space missions such as the Magnetospheric Multiscale Mission.« less

Developing a New Wireless Sensor Network Platform and Its Application in Precision Agriculture

PubMed Central

Aquino-Santos, Raúl; González-Potes, Apolinar; Edwards-Block, Arthur; Virgen-Ortiz, Raúl Alejandro

2011-01-01

Wireless sensor networks are gaining greater attention from the research community and industrial professionals because these small pieces of “smart dust” offer great advantages due to their small size, low power consumption, easy integration and support for “green” applications. Green applications are considered a hot topic in intelligent environments, ubiquitous and pervasive computing. This work evaluates a new wireless sensor network platform and its application in precision agriculture, including its embedded operating system and its routing algorithm. To validate the technological platform and the embedded operating system, two different routing strategies were compared: hierarchical and flat. Both of these routing algorithms were tested in a small-scale network applied to a watermelon field. However, we strongly believe that this technological platform can be also applied to precision agriculture because it incorporates a modified version of LORA-CBF, a wireless location-based routing algorithm that uses cluster-based flooding. Cluster-based flooding addresses the scalability concerns of wireless sensor networks, while the modified LORA-CBF routing algorithm includes a metric to monitor residual battery energy. Furthermore, results show that the modified version of LORA-CBF functions well with both the flat and hierarchical algorithms, although it functions better with the flat algorithm in a small-scale agricultural network. PMID:22346622

Solvation effects on chemical shifts by embedded cluster integral equation theory.

PubMed

Frach, Roland; Kast, Stefan M

2014-12-11

The accurate computational prediction of nuclear magnetic resonance (NMR) parameters like chemical shifts represents a challenge if the species studied is immersed in strongly polarizing environments such as water. Common approaches to treating a solvent in the form of, e.g., the polarizable continuum model (PCM) ignore strong directional interactions such as H-bonds to the solvent which can have substantial impact on magnetic shieldings. We here present a computational methodology that accounts for atomic-level solvent effects on NMR parameters by extending the embedded cluster reference interaction site model (EC-RISM) integral equation theory to the prediction of chemical shifts of N-methylacetamide (NMA) in aqueous solution. We examine the influence of various so-called closure approximations of the underlying three-dimensional RISM theory as well as the impact of basis set size and different treatment of electrostatic solute-solvent interactions. We find considerable and systematic improvement over reference PCM and gas phase calculations. A smaller basis set in combination with a simple point charge model already yields good performance which can be further improved by employing exact electrostatic quantum-mechanical solute-solvent interaction energies. A larger basis set benefits more significantly from exact over point charge electrostatics, which can be related to differences of the solvent's charge distribution.

Developing a new wireless sensor network platform and its application in precision agriculture.

PubMed

Aquino-Santos, Raúl; González-Potes, Apolinar; Edwards-Block, Arthur; Virgen-Ortiz, Raúl Alejandro

2011-01-01

Wireless sensor networks are gaining greater attention from the research community and industrial professionals because these small pieces of "smart dust" offer great advantages due to their small size, low power consumption, easy integration and support for "green" applications. Green applications are considered a hot topic in intelligent environments, ubiquitous and pervasive computing. This work evaluates a new wireless sensor network platform and its application in precision agriculture, including its embedded operating system and its routing algorithm. To validate the technological platform and the embedded operating system, two different routing strategies were compared: hierarchical and flat. Both of these routing algorithms were tested in a small-scale network applied to a watermelon field. However, we strongly believe that this technological platform can be also applied to precision agriculture because it incorporates a modified version of LORA-CBF, a wireless location-based routing algorithm that uses cluster-based flooding. Cluster-based flooding addresses the scalability concerns of wireless sensor networks, while the modified LORA-CBF routing algorithm includes a metric to monitor residual battery energy. Furthermore, results show that the modified version of LORA-CBF functions well with both the flat and hierarchical algorithms, although it functions better with the flat algorithm in a small-scale agricultural network.

Highly multiplexed single-cell analysis of formalin-fixed, paraffin-embedded cancer tissue

PubMed Central

Gerdes, Michael J.; Sevinsky, Christopher J.; Sood, Anup; Adak, Sudeshna; Bello, Musodiq O.; Bordwell, Alexander; Can, Ali; Corwin, Alex; Dinn, Sean; Filkins, Robert J.; Hollman, Denise; Kamath, Vidya; Kaanumalle, Sireesha; Kenny, Kevin; Larsen, Melinda; Lazare, Michael; Lowes, Christina; McCulloch, Colin C.; McDonough, Elizabeth; Pang, Zhengyu; Rittscher, Jens; Santamaria-Pang, Alberto; Sarachan, Brion D.; Seel, Maximilian L.; Seppo, Antti; Shaikh, Kashan; Sui, Yunxia; Zhang, Jingyu; Ginty, Fiona

2013-01-01

Limitations on the number of unique protein and DNA molecules that can be characterized microscopically in a single tissue specimen impede advances in understanding the biological basis of health and disease. Here we present a multiplexed fluorescence microscopy method (MxIF) for quantitative, single-cell, and subcellular characterization of multiple analytes in formalin-fixed paraffin-embedded tissue. Chemical inactivation of fluorescent dyes after each image acquisition round allows reuse of common dyes in iterative staining and imaging cycles. The mild inactivation chemistry is compatible with total and phosphoprotein detection, as well as DNA FISH. Accurate computational registration of sequential images is achieved by aligning nuclear counterstain-derived fiducial points. Individual cells, plasma membrane, cytoplasm, nucleus, tumor, and stromal regions are segmented to achieve cellular and subcellular quantification of multiplexed targets. In a comparison of pathologist scoring of diaminobenzidine staining of serial sections and automated MxIF scoring of a single section, human epidermal growth factor receptor 2, estrogen receptor, p53, and androgen receptor staining by diaminobenzidine and MxIF methods yielded similar results. Single-cell staining patterns of 61 protein antigens by MxIF in 747 colorectal cancer subjects reveals extensive tumor heterogeneity, and cluster analysis of divergent signaling through ERK1/2, S6 kinase 1, and 4E binding protein 1 provides insights into the spatial organization of mechanistic target of rapamycin and MAPK signal transduction. Our results suggest MxIF should be broadly applicable to problems in the fields of basic biological research, drug discovery and development, and clinical diagnostics. PMID:23818604

Highly multiplexed single-cell analysis of formalin-fixed, paraffin-embedded cancer tissue.

PubMed

Gerdes, Michael J; Sevinsky, Christopher J; Sood, Anup; Adak, Sudeshna; Bello, Musodiq O; Bordwell, Alexander; Can, Ali; Corwin, Alex; Dinn, Sean; Filkins, Robert J; Hollman, Denise; Kamath, Vidya; Kaanumalle, Sireesha; Kenny, Kevin; Larsen, Melinda; Lazare, Michael; Li, Qing; Lowes, Christina; McCulloch, Colin C; McDonough, Elizabeth; Montalto, Michael C; Pang, Zhengyu; Rittscher, Jens; Santamaria-Pang, Alberto; Sarachan, Brion D; Seel, Maximilian L; Seppo, Antti; Shaikh, Kashan; Sui, Yunxia; Zhang, Jingyu; Ginty, Fiona

2013-07-16

Limitations on the number of unique protein and DNA molecules that can be characterized microscopically in a single tissue specimen impede advances in understanding the biological basis of health and disease. Here we present a multiplexed fluorescence microscopy method (MxIF) for quantitative, single-cell, and subcellular characterization of multiple analytes in formalin-fixed paraffin-embedded tissue. Chemical inactivation of fluorescent dyes after each image acquisition round allows reuse of common dyes in iterative staining and imaging cycles. The mild inactivation chemistry is compatible with total and phosphoprotein detection, as well as DNA FISH. Accurate computational registration of sequential images is achieved by aligning nuclear counterstain-derived fiducial points. Individual cells, plasma membrane, cytoplasm, nucleus, tumor, and stromal regions are segmented to achieve cellular and subcellular quantification of multiplexed targets. In a comparison of pathologist scoring of diaminobenzidine staining of serial sections and automated MxIF scoring of a single section, human epidermal growth factor receptor 2, estrogen receptor, p53, and androgen receptor staining by diaminobenzidine and MxIF methods yielded similar results. Single-cell staining patterns of 61 protein antigens by MxIF in 747 colorectal cancer subjects reveals extensive tumor heterogeneity, and cluster analysis of divergent signaling through ERK1/2, S6 kinase 1, and 4E binding protein 1 provides insights into the spatial organization of mechanistic target of rapamycin and MAPK signal transduction. Our results suggest MxIF should be broadly applicable to problems in the fields of basic biological research, drug discovery and development, and clinical diagnostics.

Status in calculating electronic excited states in transition metal oxides from first principles.

PubMed

Bendavid, Leah Isseroff; Carter, Emily Ann

2014-01-01

Characterization of excitations in transition metal oxides is a crucial step in the development of these materials for photonic and optoelectronic applications. However, many transition metal oxides are considered to be strongly correlated materials, and their complex electronic structure is challenging to model with many established quantum mechanical techniques. We review state-of-the-art first-principles methods to calculate charged and neutral excited states in extended materials, and discuss their application to transition metal oxides. We briefly discuss developments in density functional theory (DFT) to calculate fundamental band gaps, and introduce time-dependent DFT, which can model neutral excitations. Charged excitations can be described within the framework of many-body perturbation theory based on Green's functions techniques, which predominantly employs the GW approximation to the self-energy to facilitate a feasible solution to the quasiparticle equations. We review the various implementations of the GW approximation and evaluate each approach in its calculation of fundamental band gaps of many transition metal oxides. We also briefly review the related Bethe-Salpeter equation (BSE), which introduces an electron-hole interaction between GW-derived quasiparticles to describe accurately neutral excitations. Embedded correlated wavefunction theory is another framework used to model localized neutral or charged excitations in extended materials. Here, the electronic structure of a small cluster is modeled within correlated wavefunction theory, while its coupling to its environment is represented by an embedding potential. We review a number of techniques to represent this background potential, including electrostatic representations and electron density-based methods, and evaluate their application to transition metal oxides.

Collaboration patterns in the German political science co-authorship network.

PubMed

Leifeld, Philip; Wankmüller, Sandra; Berger, Valentin T Z; Ingold, Karin; Steiner, Christiane

2017-01-01

Research on social processes in the production of scientific output suggests that the collective research agenda of a discipline is influenced by its structural features, such as "invisible colleges" or "groups of collaborators" as well as academic "stars" that are embedded in, or connect, these research groups. Based on an encompassing dataset that takes into account multiple publication types including journals and chapters in edited volumes, we analyze the complete co-authorship network of all 1,339 researchers in German political science. Through the use of consensus graph clustering techniques and descriptive centrality measures, we identify the ten largest research clusters, their research topics, and the most central researchers who act as bridges and connect these clusters. We also aggregate the findings at the level of research organizations and consider the inter-university co-authorship network. The findings indicate that German political science is structured by multiple overlapping research clusters with a dominance of the subfields of international relations, comparative politics and political sociology. A small set of well-connected universities takes leading roles in these informal research groups.

Collaboration patterns in the German political science co-authorship network

PubMed Central

Wankmüller, Sandra; Berger, Valentin T. Z.; Ingold, Karin; Steiner, Christiane

2017-01-01

Research on social processes in the production of scientific output suggests that the collective research agenda of a discipline is influenced by its structural features, such as “invisible colleges” or “groups of collaborators” as well as academic “stars” that are embedded in, or connect, these research groups. Based on an encompassing dataset that takes into account multiple publication types including journals and chapters in edited volumes, we analyze the complete co-authorship network of all 1,339 researchers in German political science. Through the use of consensus graph clustering techniques and descriptive centrality measures, we identify the ten largest research clusters, their research topics, and the most central researchers who act as bridges and connect these clusters. We also aggregate the findings at the level of research organizations and consider the inter-university co-authorship network. The findings indicate that German political science is structured by multiple overlapping research clusters with a dominance of the subfields of international relations, comparative politics and political sociology. A small set of well-connected universities takes leading roles in these informal research groups. PMID:28388621

On the Coupling Time of the Heat-Bath Process for the Fortuin-Kasteleyn Random-Cluster Model

NASA Astrophysics Data System (ADS)

Collevecchio, Andrea; Elçi, Eren Metin; Garoni, Timothy M.; Weigel, Martin

2018-01-01

We consider the coupling from the past implementation of the random-cluster heat-bath process, and study its random running time, or coupling time. We focus on hypercubic lattices embedded on tori, in dimensions one to three, with cluster fugacity at least one. We make a number of conjectures regarding the asymptotic behaviour of the coupling time, motivated by rigorous results in one dimension and Monte Carlo simulations in dimensions two and three. Amongst our findings, we observe that, for generic parameter values, the distribution of the appropriately standardized coupling time converges to a Gumbel distribution, and that the standard deviation of the coupling time is asymptotic to an explicit universal constant multiple of the relaxation time. Perhaps surprisingly, we observe these results to hold both off criticality, where the coupling time closely mimics the coupon collector's problem, and also at the critical point, provided the cluster fugacity is below the value at which the transition becomes discontinuous. Finally, we consider analogous questions for the single-spin Ising heat-bath process.

Accessing the Vibrational Signatures of Amino Acid Ions Embedded in Water Clusters

DOE PAGES

Voss, Jonathan M.; Fischer, Kaitlyn C.; Garand, Etienne

2018-04-16

We present an infrared predissociation (IRPD) study of microsolvated GlyH +(H 2O) n and GlyH +(D 2O) n clusters, formed inside of a cryogenic ion trap via condensation of H 2O or D 2O onto the protonated glycine ions. The resulting IRPD spectra, showing characteristic O–H and O–D stretches, indicate that H/D exchange reactions are quenched when the ion trap is held at 80 K, minimizing the presence of isotopomers. Comparisons of GlyH +(H 2O) n and GlyH +(D 2O) n spectra clearly highlight and distinguish the vibrational signatures of the water solvent molecules from those of the core GlyHmore » + ion, allowing for quick assessment of solvation structures. Without the aid of calculations, we can already infer solvation motifs and the presence of multiple conformations. Furthermore, the use of a cryogenic ion trap to cluster solvent molecules around ions of interest and control H/D exchange reactions is broadly applicable and should be extendable to studies of more complex peptidic ions in large solvated clusters.« less

Accessing the Vibrational Signatures of Amino Acid Ions Embedded in Water Clusters

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

Voss, Jonathan M.; Fischer, Kaitlyn C.; Garand, Etienne

We present an infrared predissociation (IRPD) study of microsolvated GlyH +(H 2O) n and GlyH +(D 2O) n clusters, formed inside of a cryogenic ion trap via condensation of H 2O or D 2O onto the protonated glycine ions. The resulting IRPD spectra, showing characteristic O–H and O–D stretches, indicate that H/D exchange reactions are quenched when the ion trap is held at 80 K, minimizing the presence of isotopomers. Comparisons of GlyH +(H 2O) n and GlyH +(D 2O) n spectra clearly highlight and distinguish the vibrational signatures of the water solvent molecules from those of the core GlyHmore » + ion, allowing for quick assessment of solvation structures. Without the aid of calculations, we can already infer solvation motifs and the presence of multiple conformations. Furthermore, the use of a cryogenic ion trap to cluster solvent molecules around ions of interest and control H/D exchange reactions is broadly applicable and should be extendable to studies of more complex peptidic ions in large solvated clusters.« less

Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: a theory for chemistry where the notion of adiabatic potential energy surface loses the sense.

PubMed

Yonehara, Takehiro; Takatsuka, Kazuo

2012-12-14

We develop a theory and the method of its application for chemical dynamics in systems, in which the adiabatic potential energy hyper-surfaces (PES) are densely quasi-degenerate to each other in a wide range of molecular geometry. Such adiabatic electronic states tend to couple each other through strong nonadiabatic interactions. Technically, therefore, it is often extremely hard to accurately single out the individual PES in those systems. Moreover, due to the mutual nonadiabatic couplings that may spread wide in space and due to the energy-time uncertainty relation, the notion of the isolated and well-defined potential energy surface should lose the sense. On the other hand, such dense electronic states should offer a very interesting molecular field in which chemical reactions to proceed in characteristic manners. However, to treat these systems, the standard theoretical framework of chemical reaction dynamics, which starts from the Born-Oppenheimer approximation and ends up with quantum nuclear wavepacket dynamics, is not very useful. We here explore this problem with our developed nonadiabatic electron wavepacket theory, which we call the phase-space averaging and natural branching (PSANB) method [T. Yonehara and K. Takatsuka, J. Chem. Phys. 129, 134109 (2008)], or branching-path representation, in which the packets are propagated in time along the non-Born-Oppenheimer branching paths. In this paper, after outlining the basic theory, we examine using a one-dimensional model how well the PSANB method works with such densely quasi-degenerate nonadiabatic systems. To do so, we compare the performance of PSANB with the full quantum mechanical results and those given by the fewest switches surface hopping (FSSH) method, which is known to be one of the most reliable and flexible methods to date. It turns out that the PSANB electron wavepacket approach actually yields very good results with far fewer initial sampling paths. Then we apply the electron wavepacket dynamics in path-branching representation and the so-called semiclassical Ehrenfest theory to a hydrogen molecule embedded in twelve membered boron cluster (B(12)) in excited states, which are densely quasi-degenerate due to the vacancy in 2p orbitals of boron atom [1s(2)2s(2)2p(1)]. Bond dissociation of the hydrogen molecule quickly takes place in the cluster and the resultant hydrogen atoms are squeezed out to the surface of the cluster. We further study collision dynamics between H(2) and B(12), which also gives interesting phenomena. The present study suggests an interesting functionality of the boron clusters.

A novel sample preparation method to avoid influence of embedding medium during nano-indentation

Treesearch

Yujie Meng; Siqun Wang; Zhiyong Cai; Timothy M. Young; Guanben Du; Yanjun Li

2012-01-01

The effect of the embedding medium on the nano-indentation measurements of lignocellulosic materials was investigated experimentally using nano-indentation. Both the reduced elastic modulus and the hardness of nonembedded cell walls were found to be lower than those of the embedded samples, proving that the embedding medium used for specimen preparation on cellulosic...

Fear, opposition, ambivalence, and omission: Results from a follow-up study on unmet need for family planning in Ghana

PubMed Central

2017-01-01

Introduction Despite a relatively strong family planning program and regionally modest levels of fertility, Ghana recorded one of the highest levels of unmet need for family planning on the African continent in 2008. Unmet need for family planning is a composite measure based on apparent contradictions between women’s reproductive preferences and practices. Women who want to space or limit births but are not using contraception are considered to have an unmet need for family planning. The study sought to understand the reasons behind high levels of unmet need for family planning in Ghana. Methods A mixed methods follow-up study was embedded within the stratified, two-stage cluster sample of the 2014 Ghana Demographic and Health Survey (GDHS). Women in 13 survey clusters who were identified as having unmet need, along with a reference group of current family planning users, were approached to be reinterviewed within an average of three weeks from their GDHS interview. Follow-up respondents were asked a combination of closed- and open-ended questions about fertility preferences and contraceptive use. Closed-ended responses were compared against the original survey; transcripts were thematically coded and analyzed using qualitative analysis software. Results Among fecund women identified by the 2014 GDHS as having unmet need, follow-up interviews revealed substantial underreporting of method use, particularly traditional methods. Complete postpartum abstinence was sometimes the intended method of family planning but was overlooked during questions about method use. Other respondents classified as having unmet need had ambivalent fertility preferences. In several cases, respondents expressed revised fertility preferences upon follow-up that would have made them ineligible for inclusion in the unmet need category. The reference group of family planning users also expressed unstable fertility preferences. Aversion to modern method use was generally more substantial than reported in the GDHS, particularly the risk of menstrual side effects, personal or partner opposition to family planning, and religious opposition to contraception. PMID:28759624

Study of Composite Plate Damages Using Embedded PZT Sensors with Various Center Frequency

NASA Astrophysics Data System (ADS)

Kang, Kyoung-Tak; Chun, Heoung-Jae; Son, Ju-Hyun; Byun, Joon-Hyung; Um, Moon-Kwang; Lee, Sang-Kwan

This study presents part of an experimental and analytical survey of candidate methods for damage detection of composite structural. Embedded piezoceramic (PZT) sensors were excited with the high power ultrasonic wave generator generating a propagation of stress wave along the composite plate. The same embedded piezoceramic (PZT) sensors are used as receivers for acquiring stress signals. The effects of center frequency of embedded sensor were evaluated for the damage identification capability with known localized defects. The study was carried out to assess damage in composite plate by fusing information from multiple sensing paths of the embedded network. It was based on the Hilbert transform, signal correlation and probabilistic searching. The obtained results show that satisfactory detection of defects could be achieved by proposed method.

A Steganographic Embedding Undetectable by JPEG Compatibility Steganalysis

DTIC Science & Technology

2002-01-01

itd.nrl.navy.mil Abstract. Steganography and steganalysis of digital images is a cat- and-mouse game. In recent work, Fridrich, Goljan and Du introduced a method...proposed embedding method. 1 Introduction Steganography and steganalysis of digital images is a cat-and-mouse game. Ever since Kurak and McHugh’s seminal...paper on LSB embeddings in images [10], various researchers have published work on either increasing the payload, im- proving the resistance to

A comprehensive study of large-scale structures in the GOODS-SOUTH field up to z ˜ 2.5

NASA Astrophysics Data System (ADS)

Salimbeni, S.; Castellano, M.; Pentericci, L.; Trevese, D.; Fiore, F.; Grazian, A.; Fontana, A.; Giallongo, E.; Boutsia, K.; Cristiani, S.; de Santis, C.; Gallozzi, S.; Menci, N.; Nonino, M.; Paris, D.; Santini, P.; Vanzella, E.

2009-07-01

Aims: The aim of the present paper is to identify and study the properties and galactic content of groups and clusters in the GOODS-South field up to z˜ 2.5, and to analyse the physical properties of galaxies as a continuous function of environmental density up to high redshift. Methods: We used the deep (z850˜ 26), multi-wavelength GOODS-MUSIC catalogue, which has a 15% of spectroscopic redshifts and accurate photometric redshifts for the remaining fraction. On these data, we applied a (2+1)D algorithm, previously developed by our group, that provides an adaptive estimate of the 3D density field. We supported our analysis with simulations to evaluate the purity and the completeness of the cluster catalogue produced by our algorithm. Results: We find several high-density peaks embedded in larger structures in the redshift range 0.4-2.5. From the analysis of their physical properties (mass profile, M200, σ_v, L_X, U-B vs. B diagram), we find that most of them are groups of galaxies, while two are poor clusters with masses a few times 1014~M_⊙. For these two clusters we find from the Chandra 2Ms data an X-ray emission significantly lower than expected from their optical properties, suggesting that the two clusters are either not virialised or are gas poor. We find that the slope of the colour magnitude relation, for these groups and clusters, is constant at least up to z ˜ 1. We also analyse the dependence on environment of galaxy colours, luminosities, stellar masses, ages, and star formations. We find that galaxies in high-density regions are, on average, more luminous and massive than field galaxies up to z ˜ 2. The fraction of red galaxies increases with luminosity and with density up to z˜ 1.2. At higher z this dependence on density disappears. The variation of galaxy properties as a function of redshift and density suggests that a significant change occurs at z ˜ 1.5-2.

Document clustering methods, document cluster label disambiguation methods, document clustering apparatuses, and articles of manufacture

DOEpatents

Sanfilippo, Antonio [Richland, WA; Calapristi, Augustin J [West Richland, WA; Crow, Vernon L [Richland, WA; Hetzler, Elizabeth G [Kennewick, WA; Turner, Alan E [Kennewick, WA

2009-12-22

Document clustering methods, document cluster label disambiguation methods, document clustering apparatuses, and articles of manufacture are described. In one aspect, a document clustering method includes providing a document set comprising a plurality of documents, providing a cluster comprising a subset of the documents of the document set, using a plurality of terms of the documents, providing a cluster label indicative of subject matter content of the documents of the cluster, wherein the cluster label comprises a plurality of word senses, and selecting one of the word senses of the cluster label.

Research about Memory Detection Based on the Embedded Platform

NASA Astrophysics Data System (ADS)

Sun, Hao; Chu, Jian

As is known to us all, the resources of memory detection of the embedded systems are very limited. Taking the Linux-based embedded arm as platform, this article puts forward two efficient memory detection technologies according to the characteristics of the embedded software. Especially for the programs which need specific libraries, the article puts forwards portable memory detection methods to help program designers to reduce human errors,improve programming quality and therefore make better use of the valuable embedded memory resource.

Hubbard pair cluster in the external fields. Studies of the magnetic properties

NASA Astrophysics Data System (ADS)

Balcerzak, T.; Szałowski, K.

2018-06-01

The magnetic properties of the two-site Hubbard cluster (dimer or pair), embedded in the external electric and magnetic fields and treated as the open system, are studied by means of the exact diagonalization of the Hamiltonian. The formalism of the grand canonical ensemble is adopted. The phase diagrams, on-site magnetizations, spin-spin correlations, mean occupation numbers and hopping energy are investigated and illustrated in figures. An influence of temperature, mean electron concentration, Coulomb U parameter and external fields on the quantities of interest is presented and discussed. In particular, the anomalous behaviour of the magnetization and correlation function vs. temperature near the critical magnetic field is found. Also, the effect of magnetization switching by the external fields is demonstrated.

A Deep X-ray Survey of Low-Mass PMS Stars in NGC 2264

NASA Technical Reports Server (NTRS)

Simon, Theodore

2005-01-01

Two X-ray images were obtained with the XMM-Newton spacecraft of more than 300 members of the NGC 2264 Open Cluster and its associated molecular cloud in order to investigate their magnetic activity. The X-ray fluxes extracted from those observations were used to study the dependence of stellar dynamo activity upon age and rotation for the optically revealed T Tauri stars and to place empirical constraints on theoretical models of angular momentum/dynamo evolution. The observations were also used to study the role of magnetic fields in the formation of low mass stars through the observation of very young protostars that are deeply embedded in the molecular cloud located behind the visible open cluster.

Untangling Brain-Wide Dynamics in Consciousness by Cross-Embedding

PubMed Central

Tajima, Satohiro; Yanagawa, Toru; Fujii, Naotaka; Toyoizumi, Taro

2015-01-01

Brain-wide interactions generating complex neural dynamics are considered crucial for emergent cognitive functions. However, the irreducible nature of nonlinear and high-dimensional dynamical interactions challenges conventional reductionist approaches. We introduce a model-free method, based on embedding theorems in nonlinear state-space reconstruction, that permits a simultaneous characterization of complexity in local dynamics, directed interactions between brain areas, and how the complexity is produced by the interactions. We demonstrate this method in large-scale electrophysiological recordings from awake and anesthetized monkeys. The cross-embedding method captures structured interaction underlying cortex-wide dynamics that may be missed by conventional correlation-based analysis, demonstrating a critical role of time-series analysis in characterizing brain state. The method reveals a consciousness-related hierarchy of cortical areas, where dynamical complexity increases along with cross-area information flow. These findings demonstrate the advantages of the cross-embedding method in deciphering large-scale and heterogeneous neuronal systems, suggesting a crucial contribution by sensory-frontoparietal interactions to the emergence of complex brain dynamics during consciousness. PMID:26584045

Applications of cluster analysis to the creation of perfectionism profiles: a comparison of two clustering approaches.

PubMed

Bolin, Jocelyn H; Edwards, Julianne M; Finch, W Holmes; Cassady, Jerrell C

2014-01-01

Although traditional clustering methods (e.g., K-means) have been shown to be useful in the social sciences it is often difficult for such methods to handle situations where clusters in the population overlap or are ambiguous. Fuzzy clustering, a method already recognized in many disciplines, provides a more flexible alternative to these traditional clustering methods. Fuzzy clustering differs from other traditional clustering methods in that it allows for a case to belong to multiple clusters simultaneously. Unfortunately, fuzzy clustering techniques remain relatively unused in the social and behavioral sciences. The purpose of this paper is to introduce fuzzy clustering to these audiences who are currently relatively unfamiliar with the technique. In order to demonstrate the advantages associated with this method, cluster solutions of a common perfectionism measure were created using both fuzzy clustering and K-means clustering, and the results compared. Results of these analyses reveal that different cluster solutions are found by the two methods, and the similarity between the different clustering solutions depends on the amount of cluster overlap allowed for in fuzzy clustering.

Applications of cluster analysis to the creation of perfectionism profiles: a comparison of two clustering approaches

PubMed Central

Bolin, Jocelyn H.; Edwards, Julianne M.; Finch, W. Holmes; Cassady, Jerrell C.

2014-01-01

Although traditional clustering methods (e.g., K-means) have been shown to be useful in the social sciences it is often difficult for such methods to handle situations where clusters in the population overlap or are ambiguous. Fuzzy clustering, a method already recognized in many disciplines, provides a more flexible alternative to these traditional clustering methods. Fuzzy clustering differs from other traditional clustering methods in that it allows for a case to belong to multiple clusters simultaneously. Unfortunately, fuzzy clustering techniques remain relatively unused in the social and behavioral sciences. The purpose of this paper is to introduce fuzzy clustering to these audiences who are currently relatively unfamiliar with the technique. In order to demonstrate the advantages associated with this method, cluster solutions of a common perfectionism measure were created using both fuzzy clustering and K-means clustering, and the results compared. Results of these analyses reveal that different cluster solutions are found by the two methods, and the similarity between the different clustering solutions depends on the amount of cluster overlap allowed for in fuzzy clustering. PMID:24795683

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study.

PubMed

Abdel Halim, Wael Salah; Abdullah, Noha; Abdel-Aal, Safaa; Shalabi, A S

2012-06-01

The size of the cations (either Ca(2+), Sr(2+), Ga(+), or Au(+)) at the F(A1)-type color centers on the (100) surface of LiCl crystal plays an important role in the optical properties of this surface. In this work, double-well potentials at this surface were investigated using ab initio quantum mechanical methods. Quantum clusters were embedded in simulated Coulomb fields that closely approximate the Madelung fields of the host surface, and the ions that were the nearest neighbors to the F(A1) site were allowed to relax to equilibrium. The calculated Stokes-shifted optical transition bands, optical-optical conversion efficiency, and relaxed excited states of the defect-containing surface, as well as the orientational destruction of the color centers, recording sensitivity, exciton (energy) transfer, and the Glasner-Tompkins empirical relation were all found to be sensitive to the size of the dopant cation.

A Unique 3D Nitrogen-Doped Carbon Composite as High-Performance Oxygen Reduction Catalyst

PubMed Central

Karunagaran, Ramesh; Tung, Tran Thanh; Tran, Diana; Coghlan, Campbell; Doonan, Christian

2017-01-01

The synthesis and properties of an oxygen reduction catalyst based on a unique 3-dimensional (3D) nitrogen doped (N-doped) carbon composite are described. The composite material is synthesised via a two-step hydrothermal and pyrolysis method using bio-source low-cost materials of galactose and melamine. Firstly, the use of iron salts and galactose to hydrothermally produceiron oxide (Fe2O3) magnetic nanoparticle clusters embedded carbon spheres. Secondly, magnetic nanoparticles diffused out of the carbon sphere when pyrolysed in the presence of melamine as nitrogen precursor. Interestingly, many of these nanoparticles, as catalyst-grown carbon nanotubes (CNTs), resulted in the formation of N-doped CNTs and N-doped carbon spheres under the decomposition of carbon and a nitrogen environment. The composite material consists of integrated N-doped carbon microspheres and CNTs show high ORR activity through a predominantly four-electron pathway. PMID:28792432

Temperature-induced local and average structural changes in BaTiO3-xBi(Zn1/2Ti1/2)O3 solid solutions: The origin of high temperature dielectric permittivity

NASA Astrophysics Data System (ADS)

Hou, Dong; Usher, Tedi-Marie; Zhou, Hanhan; Raengthon, Natthaphon; Triamnak, Narit; Cann, David P.; Forrester, Jennifer S.; Jones, Jacob L.

2017-08-01

The existence of local tetragonal distortions is evidenced in the BaTiO3-xBi(Zn1/2Ti1/2)O3 (BT-xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2-3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transforms to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.

Temperature-induced local and average structural changes in BaTiO 3- xBi(Zn 1/2Ti 1/2)O 3 solid solutions: The origin of high temperature dielectric permittivity

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

Hou, Dong; Usher, Tedi -Marie; Zhou, Hanhan

The existence of local tetragonal distortions is evidenced in the BaTiO 3–xBi(Zn 1/2Ti 1/2)O 3 (BT–xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2–3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transformsmore » to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.« less

Temperature-induced local and average structural changes in BaTiO 3- xBi(Zn 1/2Ti 1/2)O 3 solid solutions: The origin of high temperature dielectric permittivity

DOE PAGES

Hou, Dong; Usher, Tedi -Marie; Zhou, Hanhan; ...

2017-08-11

The existence of local tetragonal distortions is evidenced in the BaTiO 3–xBi(Zn 1/2Ti 1/2)O 3 (BT–xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2–3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transformsmore » to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite relaxors, and advances the development of a wide range of electronics with reliable high temperature performance.« less

Membership determination of open clusters based on a spectral clustering method

NASA Astrophysics Data System (ADS)

Gao, Xin-Hua

2018-06-01

We present a spectral clustering (SC) method aimed at segregating reliable members of open clusters in multi-dimensional space. The SC method is a non-parametric clustering technique that performs cluster division using eigenvectors of the similarity matrix; no prior knowledge of the clusters is required. This method is more flexible in dealing with multi-dimensional data compared to other methods of membership determination. We use this method to segregate the cluster members of five open clusters (Hyades, Coma Ber, Pleiades, Praesepe, and NGC 188) in five-dimensional space; fairly clean cluster members are obtained. We find that the SC method can capture a small number of cluster members (weak signal) from a large number of field stars (heavy noise). Based on these cluster members, we compute the mean proper motions and distances for the Hyades, Coma Ber, Pleiades, and Praesepe clusters, and our results are in general quite consistent with the results derived by other authors. The test results indicate that the SC method is highly suitable for segregating cluster members of open clusters based on high-precision multi-dimensional astrometric data such as Gaia data.

Hub-filament System in IRAS 05480+2545: Young Stellar Cluster and 6.7 GHz Methanol Maser

NASA Astrophysics Data System (ADS)

Dewangan, L. K.; Ojha, D. K.; Baug, T.

2017-07-01

To probe the star formation (SF) process, we present a multi-wavelength study of IRAS 05480+2545 (hereafter I05480+2545). Analysis of Herschel data reveals a massive clump (M clump ˜ 1875 {M}⊙ ; peak N(H2) ˜ 4.8 × 1022 cm-2 A V ˜ 51 mag) containing the 6.7 GHz methanol maser and I05480+2545, which is also depicted in a temperature range of 18-26 K. Several noticeable parsec-scale filaments are detected in the Herschel 250 μm image and seem to be radially directed to the massive clump. It resembles more of a “hub-filament” system. Deeply embedded young stellar objects (YSOs) have been identified using the 1-5 μm photometric data, and a significant fraction of YSOs and their clustering are spatially found toward the massive clump, revealing the intense SF activities. An infrared counterpart (IRc) of the maser is investigated in the Spitzer 3.6-4.5 μm images. The IRc does not appear as a point-like source and is most likely associated with the molecular outflow. Based on the 1.4 GHz and Hα continuum images, the ionized emission is absent toward the IRc, indicating that the massive clump harbors an early phase of a massive protostar before the onset of an ultracompact H II region. Together, the I05480+2545 is embedded in a very similar “hub-filament” system to those seen in the Rosette Molecular Cloud. The outcome of the present work indicates the role of filaments in the formation of the massive star-forming clump and cluster of YSOs, which might help channel material to the central hub configuration and the clump/core.

Formation of large-scale structure from cosmic strings and massive neutrinos

NASA Technical Reports Server (NTRS)

Scherrer, Robert J.; Melott, Adrian L.; Bertschinger, Edmund

1989-01-01

Numerical simulations of large-scale structure formation from cosmic strings and massive neutrinos are described. The linear power spectrum in this model resembles the cold-dark-matter power spectrum. Galaxy formation begins early, and the final distribution consists of isolated density peaks embedded in a smooth background, leading to a natural bias in the distribution of luminous matter. The distribution of clustered matter has a filamentary appearance with large voids.

Embedding Quantitative Methods by Stealth in Political Science: Developing a Pedagogy for Psephology

ERIC Educational Resources Information Center

Gunn, Andrew

2017-01-01

Student evaluations of quantitative methods courses in political science often reveal they are characterised by aversion, alienation and anxiety. As a solution to this problem, this paper describes a pedagogic research project with the aim of embedding quantitative methods by stealth into the first-year undergraduate curriculum. This paper…

Fear, opposition, ambivalence, and omission: Results from a follow-up study on unmet need for family planning in Ghana.

PubMed

Staveteig, Sarah

2017-01-01

Despite a relatively strong family planning program and regionally modest levels of fertility, Ghana recorded one of the highest levels of unmet need for family planning on the African continent in 2008. Unmet need for family planning is a composite measure based on apparent contradictions between women's reproductive preferences and practices. Women who want to space or limit births but are not using contraception are considered to have an unmet need for family planning. The study sought to understand the reasons behind high levels of unmet need for family planning in Ghana. A mixed methods follow-up study was embedded within the stratified, two-stage cluster sample of the 2014 Ghana Demographic and Health Survey (GDHS). Women in 13 survey clusters who were identified as having unmet need, along with a reference group of current family planning users, were approached to be reinterviewed within an average of three weeks from their GDHS interview. Follow-up respondents were asked a combination of closed- and open-ended questions about fertility preferences and contraceptive use. Closed-ended responses were compared against the original survey; transcripts were thematically coded and analyzed using qualitative analysis software. Among fecund women identified by the 2014 GDHS as having unmet need, follow-up interviews revealed substantial underreporting of method use, particularly traditional methods. Complete postpartum abstinence was sometimes the intended method of family planning but was overlooked during questions about method use. Other respondents classified as having unmet need had ambivalent fertility preferences. In several cases, respondents expressed revised fertility preferences upon follow-up that would have made them ineligible for inclusion in the unmet need category. The reference group of family planning users also expressed unstable fertility preferences. Aversion to modern method use was generally more substantial than reported in the GDHS, particularly the risk of menstrual side effects, personal or partner opposition to family planning, and religious opposition to contraception.

Mixed methods research in mental health nursing.

PubMed

Kettles, A M; Creswell, J W; Zhang, W

2011-08-01

Mixed methods research is becoming more widely used in order to answer research questions and to investigate research problems in mental health and psychiatric nursing. However, two separate literature searches, one in Scotland and one in the USA, revealed that few mental health nursing studies identified mixed methods research in their titles. Many studies used the term 'embedded' but few studies identified in the literature were mixed methods embedded studies. The history, philosophical underpinnings, definition, types of mixed methods research and associated pragmatism are discussed, as well as the need for mixed methods research. Examples of mental health nursing mixed methods research are used to illustrate the different types of mixed methods: convergent parallel, embedded, explanatory and exploratory in their sequential and concurrent combinations. Implementing mixed methods research is also discussed briefly and the problem of identifying mixed methods research in mental and psychiatric nursing are discussed with some possible solutions to the problem proposed. © 2011 Blackwell Publishing.

SUZAKU OBSERVATIONS OF THE X-RAY BRIGHTEST FOSSIL GROUP ESO 3060170

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

Su, Yuanyuan; White, Raymond E. III; Miller, Eric D., E-mail: ysu@crimson.ua.edu

2013-10-01

'Fossil' galaxy groups, each dominated by a relatively isolated giant elliptical galaxy, have many properties intermediate between groups and clusters of galaxies. We used the Suzaku X-ray observatory to observe the X-ray brightest fossil group, ESO 3060170, out to R{sub 200}, in order to better elucidate the relation between fossil groups, normal groups, and clusters. We determined the intragroup gas temperature, density, and metal abundance distributions and derived the entropy, pressure, and mass profiles for this group. The entropy and pressure profiles in the outer regions are flatter than in simulated clusters, similar to what is seen in observations ofmore » massive clusters. This may indicate that the gas is clumpy and/or the gas has been redistributed. Assuming hydrostatic equilibrium, the total mass is estimated to be ∼1.7 × 10{sup 14} M{sub ☉} within a radius R{sub 200} of ∼1.15 Mpc, with an enclosed baryon mass fraction of 0.13. The integrated iron mass-to-light ratio of this fossil group is larger than in most groups and comparable to those of clusters, indicating that this fossil group has retained the bulk of its metals. A galaxy luminosity density map on a scale of 25 Mpc shows that this fossil group resides in a relatively isolated environment, unlike the filamentary structures in which typical groups and clusters are embedded.« less

Bright Young Star Clusters in NGC5253 with LEGUS

NASA Astrophysics Data System (ADS)

Calzetti, Daniela; Johnson, Kelsey E.; Adamo, Angela; Gallagher, John S.; Andrews, Jennifer E.; Smith, Linda J.; Clayton, Geoffrey C.; Lee, Janice C.; Sabbi, Elena; Ubeda, Leonardo; Kim, Hwihyun; Ryon, Jenna E.; Thilker, David A.; Bright, Stacey N.; Zackrisson, Erik; Kennicutt, Robert; de Mink, Selma E.; Whitmore, Bradley C.; Aloisi, Alessandra; Chandar, Rupali; Cignoni, Michele; Cook, David; Dale, Daniel A.; Elmegreen, Bruce; Elmegreen, Debra M.; Evans, Aaron S.; Fumagalli, Michele; Gouliermis, Dimitrios; Grasha, Kathryn; Grebel, Eva; Krumholz, Mark R.; Walterbos, Rene A. M.; Wofford, Aida; Brown, Thomas M.; Christian, Carol A.; Dobbs, Claire; Herrero-Davo`, Artemio; Kahre, Lauren; Messa, Matteo; Nair, Preethi; Nota, Antonella; Östlin, Göran; Pellerin, Anne; Sacchi, Elena; Schaerer, Daniel; Tosi, Monica

2016-01-01

Using UV-to-H broad and narrow-band HST imaging, we derive the ages and masses of the 11 brightest star clusters in the dwarf galaxy NGC5253. This galaxy, located at ~3 Mpc, hosts an intense starburst, which includes a centrally-concentrated dusty region with strong thermal radio emission (the `radio nebula'). The HST imaging includes data from the Cycle 21 Treasury Program LEGUS (Legacy ExtraGalactic UV Survey), in addition to narrow--band H-alpha (6563 A), P-beta (12820 A), and P-alpha (18756 A). The bright clusters have ages ~1-15 Myr and masses ~1E4 - 2.5E5 Msun. Two of the 11 star clusters are located within the radio nebula, and suffer from significant dust attenuation. Both are extremely young, with a best-fit age around 1 Myr, and masses ~7.5E4 and ~2.5E5 Msun, respectively. The most massive of the two `radio nebula' clusters is 2-4 times less massive than previously estimated and is embedded within a cloud of dust with A_V~50 mag. The two clusters account for about half of the ionizing photon rate in the radio nebula, and will eventually supply about 2/3 of the mechanical energy in present-day shocks. Additional sources are required to supply the remaining ionizing radiation, and may include very massive stars.

Revisiting the monster: the mass profile of the galaxy cluster Abell 3827 using dynamical and strong lensing constrains

NASA Astrophysics Data System (ADS)

Rodrigo Carrasco Damele, Eleazar; Verdugo, Tomas

2018-01-01

The galaxy cluster Abell 3827 is one of the most massive clusters know at z ≦ 0.1 (Richness class 2, BM typeI, X-ray LX = 2.4 x 1044 erg s-1). The Brightest Cluster Galaxy (BCG) in Abell 3827 is perhaps the most extreme example of ongoing galaxy cannibalism. The multi-component BCG hosts the stellar remnants nuclei of at least four bright elliptical galaxies embedded in a common assymetric halo extended up to 15 kpc. The most notorious characteristic of the BCG is the existence of a unique strong gravitational lens system located within the inner 15 kpc region. A mass estimation of the galaxy based on strong lensing model was presented in Carrasco et al (2010, ApJL, 715, 160). Moreover, the exceptional strong lensing lens system in Abell 3827 and the location of the four bright galaxies has been used to measure for the first time small physical separations between dark and ordinary matter (Williams et al. 2011, MNRAS, 415, 448, Massey et al. 2015, MNRAS, 449, 3393). In this contribution, we present a detailed strong lensing and dynamical analysis of the cluster Abell 3827 based on spectroscopic redshift of the lensed features and from ~70 spectroscopically confirmed member galaxies inside 0.5 x 0.5 Mpc from the cluster center.

Optimization of the formation of embedded multicellular spheroids of MCF-7 cells: How to reliably produce a biomimetic 3D model.

PubMed

Zhang, Wenli; Li, Caibin; Baguley, Bruce C; Zhou, Fang; Zhou, Weisai; Shaw, John P; Wang, Zhen; Wu, Zimei; Liu, Jianping

2016-12-15

To obtain a multicellular MCF-7 spheroid model to mimic the three-dimensional (3D) of tumors, the microwell liquid overlay (A) and hanging-drop/agar (B) methods were first compared for their technical parameters. Then a method for embedding spheroids within collagen was optimized. For method A, centrifugation assisted cells form irregular aggregates but not spheroids. For method B, an extended sedimentation period of over 24 h for cell suspensions and increased viscosity of the culture medium using methylcellulose were necessary to harvest a dense and regular cell spheroid. When the number was less than 5000 cells/drop, embedded spheroids showed no tight cores and higher viability than the unembedded. However, above 5000 cells/drop, cellular viability of embedded spheroids was not significantly different from unembedded spheroids and cells invading through the collagen were in a sun-burst pattern with tight cores. Propidium Iodide staining indicated that spheroids had necrotic cores. The doxorubicin cytotoxicity demonstrated that spheroids were less susceptible to DOX than their monolayer cells. A reliable and reproducible method for embedding spheroids using the hanging-drop/agarose method within collagen is described herein. The cell culture model can be used to guide experimental manipulation of 3D cell cultures and to evaluate anticancer drug efficacy. Copyright © 2016 Elsevier Inc. All rights reserved.

Sequence2Vec: a novel embedding approach for modeling transcription factor binding affinity landscape.

PubMed

Dai, Hanjun; Umarov, Ramzan; Kuwahara, Hiroyuki; Li, Yu; Song, Le; Gao, Xin

2017-11-15

An accurate characterization of transcription factor (TF)-DNA affinity landscape is crucial to a quantitative understanding of the molecular mechanisms underpinning endogenous gene regulation. While recent advances in biotechnology have brought the opportunity for building binding affinity prediction methods, the accurate characterization of TF-DNA binding affinity landscape still remains a challenging problem. Here we propose a novel sequence embedding approach for modeling the transcription factor binding affinity landscape. Our method represents DNA binding sequences as a hidden Markov model which captures both position specific information and long-range dependency in the sequence. A cornerstone of our method is a novel message passing-like embedding algorithm, called Sequence2Vec, which maps these hidden Markov models into a common nonlinear feature space and uses these embedded features to build a predictive model. Our method is a novel combination of the strength of probabilistic graphical models, feature space embedding and deep learning. We conducted comprehensive experiments on over 90 large-scale TF-DNA datasets which were measured by different high-throughput experimental technologies. Sequence2Vec outperforms alternative machine learning methods as well as the state-of-the-art binding affinity prediction methods. Our program is freely available at https://github.com/ramzan1990/sequence2vec. xin.gao@kaust.edu.sa or lsong@cc.gatech.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

Can't Count or Won't Count? Embedding Quantitative Methods in Substantive Sociology Curricula: A Quasi-Experiment.

PubMed

Williams, Malcolm; Sloan, Luke; Cheung, Sin Yi; Sutton, Carole; Stevens, Sebastian; Runham, Libby

2016-06-01

This paper reports on a quasi-experiment in which quantitative methods (QM) are embedded within a substantive sociology module. Through measuring student attitudes before and after the intervention alongside control group comparisons, we illustrate the impact that embedding has on the student experience. Our findings are complex and even contradictory. Whilst the experimental group were less likely to be distrustful of statistics and appreciate how QM inform social research, they were also less confident about their statistical abilities, suggesting that through 'doing' quantitative sociology the experimental group are exposed to the intricacies of method and their optimism about their own abilities is challenged. We conclude that embedding QM in a single substantive module is not a 'magic bullet' and that a wider programme of content and assessment diversification across the curriculum is preferential.

Embedding objects during 3D printing to add new functionalities.

PubMed

Yuen, Po Ki

2016-07-01

A novel method for integrating and embedding objects to add new functionalities during 3D printing based on fused deposition modeling (FDM) (also known as fused filament fabrication or molten polymer deposition) is presented. Unlike typical 3D printing, FDM-based 3D printing could allow objects to be integrated and embedded during 3D printing and the FDM-based 3D printed devices do not typically require any post-processing and finishing. Thus, various fluidic devices with integrated glass cover slips or polystyrene films with and without an embedded porous membrane, and optical devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber were 3D printed to demonstrate the versatility of the FDM-based 3D printing and embedding method. Fluid perfusion flow experiments with a blue colored food dye solution were used to visually confirm fluid flow and/or fluid perfusion through the embedded porous membrane in the 3D printed fluidic devices. Similar to typical 3D printed devices, FDM-based 3D printed devices are translucent at best unless post-polishing is performed and optical transparency is highly desirable in any fluidic devices; integrated glass cover slips or polystyrene films would provide a perfect optical transparent window for observation and visualization. In addition, they also provide a compatible flat smooth surface for biological or biomolecular applications. The 3D printed fluidic devices with an embedded porous membrane are applicable to biological or chemical applications such as continuous perfusion cell culture or biocatalytic synthesis but without the need for any post-device assembly and finishing. The 3D printed devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber would have applications in display, illumination, or optical applications. Furthermore, the FDM-based 3D printing and embedding method could also be utilized to print casting molds with an integrated glass bottom for polydimethylsiloxane (PDMS) device replication. These 3D printed glass bottom casting molds would result in PDMS replicas with a flat smooth bottom surface for better bonding and adhesion.

A graph-theoretical analysis algorithm for quantifying the transition from sensory input to motor output by an emotional stimulus.

PubMed

Karmonik, Christof; Fung, Steve H; Dulay, M; Verma, A; Grossman, Robert G

2013-01-01

Graph-theoretical analysis algorithms have been used for identifying subnetworks in the human brain during the Default Mode State. Here, these methods are expanded to determine the interaction of the sensory and the motor subnetworks during the performance of an approach-avoidance paradigm utilizing the correlation strength between the signal intensity time courses as measure of synchrony. From functional magnetic resonance imaging (fMRI) data of 9 healthy volunteers, two signal time courses, one from the primary visual cortex (sensory input) and one from the motor cortex (motor output) were identified and a correlation difference map was calculated. Graph networks were created from this map and visualized with spring-embedded layouts and 3D layouts in the original anatomical space. Functional clusters in these networks were identified with the MCODE clustering algorithm. Interactions between the sensory sub-network and the motor sub-network were quantified through the interaction strengths of these clusters. The percentages of interactions involving the visual cortex ranged from 85 % to 18 % and the motor cortex ranged from 40 % to 9 %. Other regions with high interactions were: frontal cortex (19 ± 18 %), insula (17 ± 22 %), cuneus (16 ± 15 %), supplementary motor area (SMA, 11 ± 18 %) and subcortical regions (11 ± 10 %). Interactions between motor cortex, SMA and visual cortex accounted for 12 %, between visual cortex and cuneus for 8 % and between motor cortex, SMA and cuneus for 6 % of all interactions. These quantitative findings are supported by the visual impressions from the 2D and 3D network layouts.

Efficient sidelobe ASK based dual-function radar-communications

NASA Astrophysics Data System (ADS)

Hassanien, Aboulnasr; Amin, Moeness G.; Zhang, Yimin D.; Ahmad, Fauzia

2016-05-01

Recently, dual-function radar-communications (DFRC) has been proposed as means to mitigate the spectrum congestion problem. Existing amplitude-shift keying (ASK) methods for information embedding do not take full advantage of the highest permissable sidelobe level. In this paper, a new ASK-based signaling strategy for enhancing the signal-to-noise ratio (SNR) at the communication receiver is proposed. The proposed method employs one reference waveform and simultaneously transmits a number of orthogonal waveforms equals to the number of 1's in the binary sequence being embedded. 3 dB SNR gain is achieved using the proposed method as compared to existing sidelobe ASK methods. The effectiveness of the proposed information embedding strategy is verified using simulations examples.

A biomolecular detection method based on charge pumping in a nanogap embedded field-effect-transistor biosensor

NASA Astrophysics Data System (ADS)

Kim, Sungho; Ahn, Jae-Hyuk; Park, Tae Jung; Lee, Sang Yup; Choi, Yang-Kyu

2009-06-01

A unique direct electrical detection method of biomolecules, charge pumping, was demonstrated using a nanogap embedded field-effect-transistor (FET). With aid of a charge pumping method, sensitivity can fall below the 1 ng/ml concentration regime in antigen-antibody binding of an avian influenza case. Biomolecules immobilized in the nanogap are mainly responsible for the acute changes of the interface trap density due to modulation of the energy level of the trap. This finding is supported by a numerical simulation. The proposed detection method for biomolecules using a nanogap embedded FET represents a foundation for a chip-based biosensor capable of high sensitivity.

Pt/Au nanoalloy supported on alumina and chlorided alumina: DFT and experimental analysis

NASA Astrophysics Data System (ADS)

Sharifi, N.; Falamaki, C.; Ghorbanzadeh Ahangari, M.

2018-04-01

Density functional theory (DFT) was used to explore the adsorption of Pt/Au nanoalloy onto a pure and chlorided γ-Al2O3(110) surface, which has been applied in numerous catalytic reactions. First, we considered the adsorption properties of Pt clusters (n ≤ 5) onto the Al2O3(110) surface to determine the most stable Pt cluster on alumina surface in reforming processes. After full structural relaxations of Pt clusters at various configurations on alumina, our computed results expressed that the minimum binding energy (‑5.67 eV) is accrued for Pt4 cluster and the distance between the nearest Pt atom in the cluster to the alumina surface is equal to 1.13 Å. Then, we investigated the binding energies, geometries, and electronic properties of adsorbed Aun clusters (n ≤ 6) on the γ-Al2O3(110) surface. Our studied showed that Au5 was the most thermodynamically stable structure on γ-Al2O3. Finally, we inspected these properties for adsorbed Au clusters onto the Pt4-decorated alumina (Aun/Pt4-alumina) system. The binding energy of the Au4/Pt4-alumina system was ‑5.01 eV, and the distance between Au4 cluster and Pt4-alumina was 1.33 Å. The Au4/Pt4alumina system was found to be the most stable nanometer-sized catalyst design. At last, our first-principles calculations predicted that the best position of embedment Cl on the Au4/Pt4-alumina.

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization

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

Neustetter, M.; Jabbour Al Maalouf, E.; Denifl, S., E-mail: Stephan.Denifl@uibk.ac.at, E-mail: plimaovieira@fct.unl.pt

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO){sub 6}) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO){sub 6} clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO){sub n}{sup +} (0 ≤ n ≤ 6) and W{sub 2}(CO){sub n}{sup +} (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO){sub n}{sup +} (0 ≤more » n ≤ 3) and W{sub 2}C(CO){sub n}{sup +} (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.« less

Low-lying excited states by constrained DFT

NASA Astrophysics Data System (ADS)

Ramos, Pablo; Pavanello, Michele

2018-04-01

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, Nc, in the virtual space of a reference set of occupied orbitals. By imposing this population to be Nc = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H3) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

X-ray radiative transfer in protoplanetary disks. The role of dust and X-ray background fields

NASA Astrophysics Data System (ADS)

Rab, Ch.; Güdel, M.; Woitke, P.; Kamp, I.; Thi, W.-F.; Min, M.; Aresu, G.; Meijerink, R.

2018-01-01

Context. The X-ray luminosities of T Tauri stars are about two to four orders of magnitude higher than the luminosity of the contemporary Sun. As these stars are born in clusters, their disks are not only irradiated by their parent star but also by an X-ray background field produced by the cluster members. Aims: We aim to quantify the impact of X-ray background fields produced by young embedded clusters on the chemical structure of disks. Further, we want to investigate the importance of the dust for X-ray radiative transfer in disks. Methods: We present a new X-ray radiative transfer module for the radiation thermo-chemical disk code PRODIMO (PROtoplanetary DIsk MOdel), which includes X-ray scattering and absorption by both the gas and dust component. The X-ray dust opacities can be calculated for various dust compositions and dust-size distributions. For the X-ray radiative transfer we consider irradiation by the star and by X-ray background fields. To study the impact of X-rays on the chemical structure of disks we use the well established disk ionization tracers N2H+ and HCO+. Results: For evolved dust populations (e.g. grain growth), X-ray opacities are mostly dominated by the gas; only for photon energies E ≳ 5-10 keV do dust opacities become relevant. Consequently the local disk X-ray radiation field is only affected in dense regions close to the disk midplane. X-ray background fields can dominate the local X-ray disk ionization rate for disk radii r ≳ 20 au. However, the N2H+ and HCO+ column densities are only significantly affected in cases of low cosmic-ray ionization rates (≲10-19 s-1), or if the background flux is at least a factor of ten higher than the flux level of ≈10-5 erg cm-2 s-1 expected for clusters typical for the solar vicinity. Conclusions: Observable signatures of X-ray background fields in low-mass star-formation regions, like Taurus, are only expected for cluster members experiencing a strong X-ray background field (e.g. due to their location within the cluster). For the majority of the cluster members, the X-ray background field has relatively little impact on the disk chemical structure.

Scalable Methods for Electronic Excitations and Optical Responses of Nanostructures: Mathematics to Algorithms to Observables

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

Carter, Emily A

2013-02-02

Kohn-Sham density functional theory (DFT) is a powerful, well-established tool for the study of condensed phase electronic structure. However, there are still a number of situations where its applicability is limited. The basic theme of our research is the development of first principles electronic structure approaches for condensed matter that goes beyond what can currently be done with standard implementations ofKohn-Sham DFT. Our efforts to this end have focused on two classes or' methods. The first addresses the well-lmown inability of DFT to handle strong, many-body electron correlation effects. Our approach is a DFT -based embedding theory, to treat localizedmore » features (e.g. impurity, adsorbate, vacancy, etc.) embedded in a periodic, metallic crystal. A description for the embedded region is provided by explicitly correlated, ab initio wave function methods. DFT, as a fo1n1ally ground state theory, does not give a good description of excited states; an additional feature of our approach is the ability to obtain excitations localized in this region. We apply our method to a first-principles study of the adsorption of a single magnetic Co ada tom on non-magnetic Cu( 111 ), a known Kondo system whose behavior is governed by strong electron correlation. The second class of methods that we are developing is an orbital-free density functional theory (OFDFT), which addresses the speed limitations ofKohn-Sham DFT. OFDFT is a powerful, O(N) scaling method for electronic structure calculations. Unlike Kohn-Sham DFT, OFDFT goes back to the original Hohenberg-Kohn idea of directly optimizing an energy functional which is an explicit functional of the density, without invoking an orbital description. This eliminates the need to manipulate orbitals, which leads to O(N{sup 3}) scaling in the Kahn-Sham approach. The speed of OFDFT allows direct electronic structure calculations on large systems on the order of thousands to tens of thousands of atoms, an expensive feat within Kohn-Sham. Due to our incomplete knowledge of the exact, universal energy density functional, this speedup comes at the cost of some accuracy with respect to Kohn-Sham methods. However, OFDFT has been shown to be remarkably accurate with respect to Kohn-Sham when used in the study of nearly-free-electron-like metals, e.g., AI, for which good density functionals have been derived. Examples of past applications of OFDFT include the prediction of properties of bulk crystals, surfaces, vacancies, vacancy clusters, nanoclusters, and dislocations, as well as OFDFT -based multiscale simulations of nanoindentation in AI and Al-Mg alloys.« less

Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

PubMed Central

Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A.I.; Vrakking, M.J.J.; Rouzée, A.

2015-01-01

When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light. PMID:26469997

What drives the formation of massive stars and clusters?

NASA Astrophysics Data System (ADS)

Ochsendorf, Bram; Meixner, Margaret; Roman-Duval, Julia; Evans, Neal J., II; Rahman, Mubdi; Zinnecker, Hans; Nayak, Omnarayani; Bally, John; Jones, Olivia C.; Indebetouw, Remy

2018-01-01

Galaxy-wide surveys allow to study star formation in unprecedented ways. In this talk, I will discuss our analysis of the Large Magellanic Cloud (LMC) and the Milky Way, and illustrate how studying both the large and small scale structure of galaxies are critical in addressing the question: what drives the formation of massive stars and clusters?I will show that ‘turbulence-regulated’ star formation models do not reproduce massive star formation properties of GMCs in the LMC and Milky Way: this suggests that theory currently does not capture the full complexity of star formation on small scales. I will also report on the discovery of a massive star forming complex in the LMC, which in many ways manifests itself as an embedded twin of 30 Doradus: this may shed light on the formation of R136 and 'Super Star Clusters' in general. Finally, I will highlight what we can expect in the next years in the field of star formation with large-scale sky surveys, ALMA, and our JWST-GTO program.

II Zw 40 - 30 Doradus on Steroids

NASA Astrophysics Data System (ADS)

Leitherer, Claus; Lee, Janice C.; Levesque, Emily M.

2017-11-01

We obtained HST COS G140L spectra of the enigmatic nearby blue compact dwarf galaxy II Zw 40. The galaxy hosts a nuclear super star cluster embedded in a radio-bright nebula, similar to those observed in the related blue compact dwarfs NGC 5253 and Henize 2-10. The ultraviolet spectrum of II Zw 40 is exceptional in terms of the strength of He II 1640, O III] 1666 and C III] 1909. We determined reddening, age, and the cluster mass from the ultraviolet data. The super nebula and the ionizing cluster exceed the ionizing luminosity and stellar mass of the local benchmark 30 Doradus by an order of magnitude. Comparison with stellar evolution models accounting for rotation reveals serious short-comings: these models do not account for the presence of Wolf-Rayet-like stars at young ages observed in II Zw 40. Photoionization modeling is used to probe the origin of the nebular lines and determine gas phase abundances. C/O is solar, in agreement with the result of the stellar-wind modeling.

The effect of the subprime crisis on the credit risk in global scale

NASA Astrophysics Data System (ADS)

Lee, Sangwook; Kim, Min Jae; Lee, Sun Young; Kim, Soo Yong; Ban, Joon Hwa

2013-05-01

Credit default swap (CDS) has become one of the most actively traded credit derivatives, and its importance in finance markets has increased after the subprime crisis. In this study, we analyzed the correlation structure of credit risks embedded in CDS and the influence of the subprime crisis on this topological space. We found that the correlation was stronger in the cluster constructed according to the location of the CDS reference companies than in the one constructed according to their industries. The correlation both within a given cluster and between different clusters became significantly stronger after the subprime crisis. The causality test shows that the lead lag effect between the portfolios (into which reference companies are grouped by the continent where each of them is located) is reversed in direction because the portion of non-investable and investable reference companies in each portfolio has changed since then. The effect of a single impulse has increased and the response time relaxation has become prolonged after the crisis as well.

A non cool-core 4.6-keV cluster around the bright nearby radio galaxy PKS B1416-493

NASA Astrophysics Data System (ADS)

Worrall, D. M.; Birkinshaw, M.

2017-05-01

We present new X-ray (Chandra) and radio (ATCA) observations of the z = 0.09 radio galaxy PKS B1416-493, a member of the southern equivalent of the 3CRR sample. We find the source to be embedded in a previously unrecognized bright kT = 4.6-keV non cool-core cluster. The discovery of new clusters of such high temperature and luminosity within z = 0.1 is rare. The radio source was chosen for observation based on its intermediate FR I/II morphology. We identify a cavity coincident with the northeast lobe, and excess counts associated with the southwest lobe that we interpret as inverse-Compton X-ray emission. The jet power, at 5.3 × 1044 erg s-1, when weighted by radio source density, supports suggestions that radio sources of intermediate morphology and radio power may dominate radio-galaxy heating in the local Universe.

Rapid embedding methods into epoxy and LR White resins for morphological and immunological analysis of cryofixed biological specimens.

PubMed

McDonald, Kent L

2014-02-01

A variety of specimens including bacteria, ciliates, choanoflagellates (Salpingoeca rosetta), zebrafish (Danio rerio) embryos, nematode worms (Caenorhabditis elegans), and leaves of white clover (Trifolium repens) plants were high pressure frozen, freeze-substituted, infiltrated with either Epon, Epon-Araldite, or LR White resins, and polymerized. Total processing time from freezing to blocks ready to section was about 6 h. For epoxy embedding the specimens were freeze-substituted in 1% osmium tetroxide plus 0.1% uranyl acetate in acetone. For embedding in LR White the freeze-substitution medium was 0.2% uranyl acetate in acetone. Rapid infiltration was achieved by centrifugation through increasing concentrations of resin followed by polymerization at 100°C for 1.5-2 h. The preservation of ultrastructure was comparable to standard freeze substitution and resin embedding methods that take days to complete. On-section immunolabeling results for actin and tubulin molecules were positive with very low background labeling. The LR White methods offer a safer, quicker, and less-expensive alternative to Lowicryl embedding of specimens processed for on-section immunolabeling without traditional aldehyde fixatives.

GPU surface extraction using the closest point embedding

NASA Astrophysics Data System (ADS)

Kim, Mark; Hansen, Charles

2015-01-01

Isosurface extraction is a fundamental technique used for both surface reconstruction and mesh generation. One method to extract well-formed isosurfaces is a particle system; unfortunately, particle systems can be slow. In this paper, we introduce an enhanced parallel particle system that uses the closest point embedding as the surface representation to speedup the particle system for isosurface extraction. The closest point embedding is used in the Closest Point Method (CPM), a technique that uses a standard three dimensional numerical PDE solver on two dimensional embedded surfaces. To fully take advantage of the closest point embedding, it is coupled with a Barnes-Hut tree code on the GPU. This new technique produces well-formed, conformal unstructured triangular and tetrahedral meshes from labeled multi-material volume datasets. Further, this new parallel implementation of the particle system is faster than any known methods for conformal multi-material mesh extraction. The resulting speed-ups gained in this implementation can reduce the time from labeled data to mesh from hours to minutes and benefits users, such as bioengineers, who employ triangular and tetrahedral meshes

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

Liu, Xingchen; Salahub, Dennis R.

There is no doubt that a huge gap exists in understanding heterogeneous catalysis between a cluster model of a few atoms and a bulk model of periodic slabs. Nanoparticles, which are crucial in heterogeneous catalysis in industry, lie in the middle of the gap. We present here our work on the computational modelling of molybdenum carbide nanoparticles (MCNPs) as the catalysts for the upgrading of oil sands in the in-situ environment, using benzene hydrogenation as a model reaction. With a cluster model, efforts were first made to understand the mechanism of the reaction with a density functional theory (DFT) studymore » on the adsorption of benzene and its hydrogenation product – cyclohexane, as well as the cyclic hydrogenation reaction intermediates on the Mo{sub 2}C(0001) surface. From the thermodynamic data, along with literature information, it was found that the benzene hydrogenation reaction on molybdenum carbide happens most likely through a Langmuir-Hinshelwood mechanism with the gradual lifting up of the benzene molecule. The electron localization function (ELF) was then used to help understand the nature of the interactions between the MCNPs, identifying strong multi-center interactions between the adsorbates and the MCNPs. To enable the treatment of larger nanoparticles, a fast semi-empirical density functional tight-binding (DFTB) method was parameterized. With this method, the potential energy profiles of benzene hydrogenation reactions on different sizes of MCNPs are calculated. The study was then extended to consider a MCNP embedded in solvent (benzene), using a quantum mechanical (DFTB) / molecular mechanical approach. Calculations on the free energies profiles with the umbrella sampling method show that the entropy of the MCNPs and the solvent are essential in understanding the catalytic activity of the transition metal related nanoparticles for solid/liquid heterogeneous catalysis.« less

[Evaluation of 3 methods of DNA extraction from paraffin-embedded material for the amplification of genomic DNA using PCR].

PubMed

Mesquita, R A; Anzai, E K; Oliveira, R N; Nunes, F D

2001-01-01

There are several protocols reported in the literature for the extraction of genomic DNA from formalin-fixed paraffin-embedded samples. Genomic DNA is utilized in molecular analyses, including PCR. This study compares three different methods for the extraction of genomic DNA from formalin-fixed paraffin-embedded (inflammatory fibrous hyperplasia) and non-formalin-fixed (normal oral mucosa) samples: phenol with enzymatic digestion, and silica with and without enzymatic digestion. The amplification of DNA by means of the PCR technique was carried out with primers for the exon 7 of human keratin type 14. Amplicons were analyzed by means of electrophoresis in an 8% polyacrylamide gel with 5% glycerol, followed by silver-staining visualization. The phenol/enzymatic digestion and the silica/enzymatic digestion methods provided amplicons from both tissue samples. The method described is a potential aid in the establishment of the histopathologic diagnosis and in retrospective studies with archival paraffin-embedded samples.

Design method of ARM based embedded iris recognition system

NASA Astrophysics Data System (ADS)

Wang, Yuanbo; He, Yuqing; Hou, Yushi; Liu, Ting

2008-03-01

With the advantages of non-invasiveness, uniqueness, stability and low false recognition rate, iris recognition has been successfully applied in many fields. Up to now, most of the iris recognition systems are based on PC. However, a PC is not portable and it needs more power. In this paper, we proposed an embedded iris recognition system based on ARM. Considering the requirements of iris image acquisition and recognition algorithm, we analyzed the design method of the iris image acquisition module, designed the ARM processing module and its peripherals, studied the Linux platform and the recognition algorithm based on this platform, finally actualized the design method of ARM-based iris imaging and recognition system. Experimental results show that the ARM platform we used is fast enough to run the iris recognition algorithm, and the data stream can flow smoothly between the camera and the ARM chip based on the embedded Linux system. It's an effective method of using ARM to actualize portable embedded iris recognition system.

Parametric embedding for class visualization.

PubMed

Iwata, Tomoharu; Saito, Kazumi; Ueda, Naonori; Stromsten, Sean; Griffiths, Thomas L; Tenenbaum, Joshua B

2007-09-01

We propose a new method, parametric embedding (PE), that embeds objects with the class structure into a low-dimensional visualization space. PE takes as input a set of class conditional probabilities for given data points and tries to preserve the structure in an embedding space by minimizing a sum of Kullback-Leibler divergences, under the assumption that samples are generated by a gaussian mixture with equal covariances in the embedding space. PE has many potential uses depending on the source of the input data, providing insight into the classifier's behavior in supervised, semisupervised, and unsupervised settings. The PE algorithm has a computational advantage over conventional embedding methods based on pairwise object relations since its complexity scales with the product of the number of objects and the number of classes. We demonstrate PE by visualizing supervised categorization of Web pages, semisupervised categorization of digits, and the relations of words and latent topics found by an unsupervised algorithm, latent Dirichlet allocation.

Method for preparing hydrous zirconium oxide gels and spherules

DOEpatents

Collins, Jack L.

2003-08-05

Methods for preparing hydrous zirconium oxide spherules, hydrous zirconium oxide gels such as gel slabs, films, capillary and electrophoresis gels, zirconium monohydrogen phosphate spherules, hydrous zirconium oxide spherules having suspendable particles homogeneously embedded within to form a composite sorbent, zirconium monohydrogen phosphate spherules having suspendable particles of at least one different sorbent homogeneously embedded within to form a composite sorbent having a desired crystallinity, zirconium oxide spherules having suspendable particles homogeneously embedded within to form a composite, hydrous zirconium oxide fiber materials, zirconium oxide fiber materials, hydrous zirconium oxide fiber materials having suspendable particles homogeneously embedded within to form a composite, zirconium oxide fiber materials having suspendable particles homogeneously embedded within to form a composite and spherules of barium zirconate. The hydrous zirconium oxide spherules and gel forms prepared by the gel-sphere, internal gelation process are useful as inorganic ion exchangers, catalysts, getters and ceramics.

Delay differential analysis of time series.

PubMed

Lainscsek, Claudia; Sejnowski, Terrence J

2015-03-01

Nonlinear dynamical system analysis based on embedding theory has been used for modeling and prediction, but it also has applications to signal detection and classification of time series. An embedding creates a multidimensional geometrical object from a single time series. Traditionally either delay or derivative embeddings have been used. The delay embedding is composed of delayed versions of the signal, and the derivative embedding is composed of successive derivatives of the signal. The delay embedding has been extended to nonuniform embeddings to take multiple timescales into account. Both embeddings provide information on the underlying dynamical system without having direct access to all the system variables. Delay differential analysis is based on functional embeddings, a combination of the derivative embedding with nonuniform delay embeddings. Small delay differential equation (DDE) models that best represent relevant dynamic features of time series data are selected from a pool of candidate models for detection or classification. We show that the properties of DDEs support spectral analysis in the time domain where nonlinear correlation functions are used to detect frequencies, frequency and phase couplings, and bispectra. These can be efficiently computed with short time windows and are robust to noise. For frequency analysis, this framework is a multivariate extension of discrete Fourier transform (DFT), and for higher-order spectra, it is a linear and multivariate alternative to multidimensional fast Fourier transform of multidimensional correlations. This method can be applied to short or sparse time series and can be extended to cross-trial and cross-channel spectra if multiple short data segments of the same experiment are available. Together, this time-domain toolbox provides higher temporal resolution, increased frequency and phase coupling information, and it allows an easy and straightforward implementation of higher-order spectra across time compared with frequency-based methods such as the DFT and cross-spectral analysis.

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

DOE PAGES

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

2015-04-20

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

Platypus globin genes and flanking loci suggest a new insertional model for beta-globin evolution in birds and mammals.

PubMed

Patel, Vidushi S; Cooper, Steven J B; Deakin, Janine E; Fulton, Bob; Graves, Tina; Warren, Wesley C; Wilson, Richard K; Graves, Jennifer A M

2008-07-25

Vertebrate alpha (alpha)- and beta (beta)-globin gene families exemplify the way in which genomes evolve to produce functional complexity. From tandem duplication of a single globin locus, the alpha- and beta-globin clusters expanded, and then were separated onto different chromosomes. The previous finding of a fossil beta-globin gene (omega) in the marsupial alpha-cluster, however, suggested that duplication of the alpha-beta cluster onto two chromosomes, followed by lineage-specific gene loss and duplication, produced paralogous alpha- and beta-globin clusters in birds and mammals. Here we analyse genomic data from an egg-laying monotreme mammal, the platypus (Ornithorhynchus anatinus), to explore haemoglobin evolution at the stem of the mammalian radiation. The platypus alpha-globin cluster (chromosome 21) contains embryonic and adult alpha- globin genes, a beta-like omega-globin gene, and the GBY globin gene with homology to cytoglobin, arranged as 5'-zeta-zeta'-alphaD-alpha3-alpha2-alpha1-omega-GBY-3'. The platypus beta-globin cluster (chromosome 2) contains single embryonic and adult globin genes arranged as 5'-epsilon-beta-3'. Surprisingly, all of these globin genes were expressed in some adult tissues. Comparison of flanking sequences revealed that all jawed vertebrate alpha-globin clusters are flanked by MPG-C16orf35 and LUC7L, whereas all bird and mammal beta-globin clusters are embedded in olfactory genes. Thus, the mammalian alpha- and beta-globin clusters are orthologous to the bird alpha- and beta-globin clusters respectively. We propose that alpha- and beta-globin clusters evolved from an ancient MPG-C16orf35-alpha-beta-GBY-LUC7L arrangement 410 million years ago. A copy of the original beta (represented by omega in marsupials and monotremes) was inserted into an array of olfactory genes before the amniote radiation (>315 million years ago), then duplicated and diverged to form orthologous clusters of beta-globin genes with different expression profiles in different lineages.

Integrated WiFi/PDR/Smartphone Using an Unscented Kalman Filter Algorithm for 3D Indoor Localization.

PubMed

Chen, Guoliang; Meng, Xiaolin; Wang, Yunjia; Zhang, Yanzhe; Tian, Peng; Yang, Huachao

2015-09-23

Because of the high calculation cost and poor performance of a traditional planar map when dealing with complicated indoor geographic information, a WiFi fingerprint indoor positioning system cannot be widely employed on a smartphone platform. By making full use of the hardware sensors embedded in the smartphone, this study proposes an integrated approach to a three-dimensional (3D) indoor positioning system. First, an improved K-means clustering method is adopted to reduce the fingerprint database retrieval time and enhance positioning efficiency. Next, with the mobile phone's acceleration sensor, a new step counting method based on auto-correlation analysis is proposed to achieve cell phone inertial navigation positioning. Furthermore, the integration of WiFi positioning with Pedestrian Dead Reckoning (PDR) obtains higher positional accuracy with the help of the Unscented Kalman Filter algorithm. Finally, a hybrid 3D positioning system based on Unity 3D, which can carry out real-time positioning for targets in 3D scenes, is designed for the fluent operation of mobile terminals.

Immunocytochemistry by electron spectroscopic imaging using well defined boronated monovalent antibody fragments.

PubMed

Kessels, M M; Qualmann, B; Sierralta, W D

1996-01-01

Contributing to the rapidly developing field of immunoelectron microscopy a new kind of markers has been created. The element boron, incorporated as very stable carborane clusters into different kinds of peptides, served as a marker detectable by electron spectroscopic imaging (ESI)--an electron microscopic technique with high-resolution potential. Covalently linked immunoreagents conspicuous by the small size of both antigen recognizing part and marker moiety are accessible by using peptide concepts for label construction and their conjugation with Fab' fragments. Due to a specific labeling of the free thiol groups of the Fab' fragments, the antigen binding capacity was not affected by the attachment of the markers and the resulting immunoprobes exhibited an elongated shape with the antigen combining site and the label located at opposite ends. The labeling densities observed with these reagents were found to be significantly higher than those obtained by using conventional colloidal gold methods. Combined with digital image processing and analysis systems, boron-based ESI proved to be a powerful approach in ultrastructural immunocytochemistry employing pre- and post-embedding methods.

Integrated WiFi/PDR/Smartphone Using an Unscented Kalman Filter Algorithm for 3D Indoor Localization

PubMed Central

Chen, Guoliang; Meng, Xiaolin; Wang, Yunjia; Zhang, Yanzhe; Tian, Peng; Yang, Huachao

2015-01-01

Because of the high calculation cost and poor performance of a traditional planar map when dealing with complicated indoor geographic information, a WiFi fingerprint indoor positioning system cannot be widely employed on a smartphone platform. By making full use of the hardware sensors embedded in the smartphone, this study proposes an integrated approach to a three-dimensional (3D) indoor positioning system. First, an improved K-means clustering method is adopted to reduce the fingerprint database retrieval time and enhance positioning efficiency. Next, with the mobile phone’s acceleration sensor, a new step counting method based on auto-correlation analysis is proposed to achieve cell phone inertial navigation positioning. Furthermore, the integration of WiFi positioning with Pedestrian Dead Reckoning (PDR) obtains higher positional accuracy with the help of the Unscented Kalman Filter algorithm. Finally, a hybrid 3D positioning system based on Unity 3D, which can carry out real-time positioning for targets in 3D scenes, is designed for the fluent operation of mobile terminals. PMID:26404314

Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion

PubMed Central

2015-01-01

We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G0W0 calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and ionization. In agreement with interpretations of earlier measurements, we find that the valence and conduction band edges consist of oxygen and nickel states, respectively. However, contrary to conventional wisdom, we find that the oxygen states of the valence band edge are localized whereas the nickel states at the conduction band edge are delocalized. We argue that these characteristics may lead to low electron–hole recombination and relatively efficient electron transport, which, coupled with band gap engineering, could produce higher solar energy conversion efficiency compared to that of other transition-metal oxides. Both methods find a photoemission/inverse-photoemission gap of 3.6–3.9 eV, in good agreement with the experimental range, lending credence to our analysis of the electronic structure of NiO. PMID:24689856

A tungsten-rhenium interatomic potential for point defect studies

DOE PAGES

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-28

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

A tungsten-rhenium interatomic potential for point defect studies

NASA Astrophysics Data System (ADS)

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-01

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).

A tungsten-rhenium interatomic potential for point defect studies

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

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

Trajectory Based Behavior Analysis for User Verification

NASA Astrophysics Data System (ADS)

Pao, Hsing-Kuo; Lin, Hong-Yi; Chen, Kuan-Ta; Fadlil, Junaidillah

Many of our activities on computer need a verification step for authorized access. The goal of verification is to tell apart the true account owner from intruders. We propose a general approach for user verification based on user trajectory inputs. The approach is labor-free for users and is likely to avoid the possible copy or simulation from other non-authorized users or even automatic programs like bots. Our study focuses on finding the hidden patterns embedded in the trajectories produced by account users. We employ a Markov chain model with Gaussian distribution in its transitions to describe the behavior in the trajectory. To distinguish between two trajectories, we propose a novel dissimilarity measure combined with a manifold learnt tuning for catching the pairwise relationship. Based on the pairwise relationship, we plug-in any effective classification or clustering methods for the detection of unauthorized access. The method can also be applied for the task of recognition, predicting the trajectory type without pre-defined identity. Given a trajectory input, the results show that the proposed method can accurately verify the user identity, or suggest whom owns the trajectory if the input identity is not provided.

Can’t Count or Won’t Count? Embedding Quantitative Methods in Substantive Sociology Curricula: A Quasi-Experiment

PubMed Central

Williams, Malcolm; Sloan, Luke; Cheung, Sin Yi; Sutton, Carole; Stevens, Sebastian; Runham, Libby

2015-01-01

This paper reports on a quasi-experiment in which quantitative methods (QM) are embedded within a substantive sociology module. Through measuring student attitudes before and after the intervention alongside control group comparisons, we illustrate the impact that embedding has on the student experience. Our findings are complex and even contradictory. Whilst the experimental group were less likely to be distrustful of statistics and appreciate how QM inform social research, they were also less confident about their statistical abilities, suggesting that through ‘doing’ quantitative sociology the experimental group are exposed to the intricacies of method and their optimism about their own abilities is challenged. We conclude that embedding QM in a single substantive module is not a ‘magic bullet’ and that a wider programme of content and assessment diversification across the curriculum is preferential. PMID:27330225

Closed-form solution of temperature and heat flux in embedded cooling channels

NASA Astrophysics Data System (ADS)

Griggs, Steven Craig

1997-11-01

An analytical method is discussed for predicting temperature in a layered composite material with embedded cooling channels. The cooling channels are embedded in the material to maintain its temperature at acceptable levels. Problems of this type are encountered in the aerospace industry and include high-temperature or high-heat-flux protection for advanced composite-material skins of high-speed air vehicles; thermal boundary-layer flow control on supersonic transports; or infrared signature suppression on military vehicles. A Green's function solution of the diffusion equation is used to simultaneously predict the global and localized effects of temperature in the material and in the embedded cooling channels. The integral method is used to solve the energy equation with fluid flow to find the solution of temperature and heat flux in the cooling fluid and material simultaneously. This method of calculation preserves the three-dimensional nature of this problem.

Embedded high-contrast distributed grating structures

DOEpatents

Zubrzycki, Walter J.; Vawter, Gregory A.; Allerman, Andrew A.

2002-01-01

A new class of fabrication methods for embedded distributed grating structures is claimed, together with optical devices which include such structures. These new methods are the only known approach to making defect-free high-dielectric contrast grating structures, which are smaller and more efficient than are conventional grating structures.

Voltage-dependent cluster expansion for electrified solid-liquid interfaces: Application to the electrochemical deposition of transition metals

NASA Astrophysics Data System (ADS)

Weitzner, Stephen E.; Dabo, Ismaila

2017-11-01

The detailed atomistic modeling of electrochemically deposited metal monolayers is challenging due to the complex structure of the metal-solution interface and the critical effects of surface electrification during electrode polarization. Accurate models of interfacial electrochemical equilibria are further challenged by the need to include entropic effects to obtain accurate surface chemical potentials. We present an embedded quantum-continuum model of the interfacial environment that addresses each of these challenges and study the underpotential deposition of silver on the gold (100) surface. We leverage these results to parametrize a cluster expansion of the electrified interface and show through grand canonical Monte Carlo calculations the crucial need to account for variations in the interfacial dipole when modeling electrodeposited metals under finite-temperature electrochemical conditions.

Embedded cluster calculations for hydrogen chemisorption on the (111) surfaces of fcc Co, Ni, Cu, Rh, Pd and Ag

NASA Astrophysics Data System (ADS)

Muscat, J. P.; Newns, D. M.

1980-10-01

We present a muffin tin based calculation on (TM) 3H, (TM) 7H and (TM) 19H clusters embedded at the surface of an effective jellium-like medium whose potential is treated in scattering length approximation. We consider the changes occurring when the d-like perturbation of the TM muffin tins is switched on. The broad chemisorption-induced resonance seen for H on the effective jellium surface is narrowed and shifted down in energy. Furthermore the occupation of this resonance is increased from about 1.1 electrons to about 1.4 (on 3d metals) or 1.8 (on 4d metals), due to d-like states dropping down from the d band to form a relatively welldefined "bonding state". An antibonding state containing about 0.4 electrons is formed at the top of the d band. The results are compared with other calculations and with photoemission data. Implications for the metal-hydrogen distance and (for Ni) the demagnetizing effect of hydrogen chemisorption are discussed. We use the change in total single particle energy when the d-like perturbation is switched on to estimate trends in chemisorption energy along the 3d and 4d series. In the 3d case experimental data is available on the difference in chemisorption energy between Ni and Cu which is in reasonable agreement with our estimate.

Performance Assessment of Kernel Density Clustering for Gene Expression Profile Data

PubMed Central

Zeng, Beiyan; Chen, Yiping P.; Smith, Oscar H.

2003-01-01

Kernel density smoothing techniques have been used in classification or supervised learning of gene expression profile (GEP) data, but their applications to clustering or unsupervised learning of those data have not been explored and assessed. Here we report a kernel density clustering method for analysing GEP data and compare its performance with the three most widely-used clustering methods: hierarchical clustering, K-means clustering, and multivariate mixture model-based clustering. Using several methods to measure agreement, between-cluster isolation, and withincluster coherence, such as the Adjusted Rand Index, the Pseudo F test, the r2 test, and the profile plot, we have assessed the effectiveness of kernel density clustering for recovering clusters, and its robustness against noise on clustering both simulated and real GEP data. Our results show that the kernel density clustering method has excellent performance in recovering clusters from simulated data and in grouping large real expression profile data sets into compact and well-isolated clusters, and that it is the most robust clustering method for analysing noisy expression profile data compared to the other three methods assessed. PMID:18629292

Embedded correlated wavefunction schemes: theory and applications.

PubMed

Libisch, Florian; Huang, Chen; Carter, Emily A

2014-09-16

Conspectus Ab initio modeling of matter has become a pillar of chemical research: with ever-increasing computational power, simulations can be used to accurately predict, for example, chemical reaction rates, electronic and mechanical properties of materials, and dynamical properties of liquids. Many competing quantum mechanical methods have been developed over the years that vary in computational cost, accuracy, and scalability: density functional theory (DFT), the workhorse of solid-state electronic structure calculations, features a good compromise between accuracy and speed. However, approximate exchange-correlation functionals limit DFT's ability to treat certain phenomena or states of matter, such as charge-transfer processes or strongly correlated materials. Furthermore, conventional DFT is purely a ground-state theory: electronic excitations are beyond its scope. Excitations in molecules are routinely calculated using time-dependent DFT linear response; however applications to condensed matter are still limited. By contrast, many-electron wavefunction methods aim for a very accurate treatment of electronic exchange and correlation. Unfortunately, the associated computational cost renders treatment of more than a handful of heavy atoms challenging. On the other side of the accuracy spectrum, parametrized approaches like tight-binding can treat millions of atoms. In view of the different (dis-)advantages of each method, the simulation of complex systems seems to force a compromise: one is limited to the most accurate method that can still handle the problem size. For many interesting problems, however, compromise proves insufficient. A possible solution is to break up the system into manageable subsystems that may be treated by different computational methods. The interaction between subsystems may be handled by an embedding formalism. In this Account, we review embedded correlated wavefunction (CW) approaches and some applications. We first discuss our density functional embedding theory, which is formally exact. We show how to determine the embedding potential, which replaces the interaction between subsystems, at the DFT level. CW calculations are performed using a fixed embedding potential, that is, a non-self-consistent embedding scheme. We demonstrate this embedding theory for two challenging electron transfer phenomena: (1) initial oxidation of an aluminum surface and (2) hot-electron-mediated dissociation of hydrogen molecules on a gold surface. In both cases, the interaction between gas molecules and metal surfaces were treated by sophisticated CW techniques, with the remainder of the extended metal surface being treated by DFT. Our embedding approach overcomes the limitations of conventional Kohn-Sham DFT in describing charge transfer, multiconfigurational character, and excited states. From these embedding simulations, we gained important insights into fundamental processes that are crucial aspects of fuel cell catalysis (i.e., O2 reduction at metal surfaces) and plasmon-mediated photocatalysis by metal nanoparticles. Moreover, our findings agree very well with experimental observations, while offering new views into the chemistry. We finally discuss our recently formulated potential-functional embedding theory that provides a seamless, first-principles way to include back-action onto the environment from the embedded region.

Internet embeddedness: links with online health information seeking, expectancy value/quality of health information websites, and Internet usage patterns.

PubMed

Leung, Louis

2008-10-01

To see how the Internet is actually embedded in our lives, this exploratory study examines how Internet users search the Web for important information, especially health or medical information, to make critical decisions, and the perception of how intimately our lives are embedded in the Internet intersects with patterns of health information seeking online and the expected quality of health information websites. Data from a probability sample of 569 Internet users found four types of commonly sought health information clusters online which included information on (a) health improvement, (b) medical treatment, (c) family health, and (d) health issues that are difficult to talk about. Results also show that behavior or behavioral intentions in health information seeking are in fact either a function of value expectancy or the evaluation of health information websites. More importantly, people who often go to the Internet for health information and have high expectations of the value and quality of health information websites (especially in terms of reliability, relevance/context, and interaction) tend to be those who are more likely to perceive the Internet as playing an important role in life decisions or rate the Internet as more embedded in their lives.

Supermassive Black Hole Binaries in High Performance Massively Parallel Direct N-body Simulations on Large GPU Clusters

NASA Astrophysics Data System (ADS)

Spurzem, R.; Berczik, P.; Zhong, S.; Nitadori, K.; Hamada, T.; Berentzen, I.; Veles, A.

2012-07-01

Astrophysical Computer Simulations of Dense Star Clusters in Galactic Nuclei with Supermassive Black Holes are presented using new cost-efficient supercomputers in China accelerated by graphical processing cards (GPU). We use large high-accuracy direct N-body simulations with Hermite scheme and block-time steps, parallelised across a large number of nodes on the large scale and across many GPU thread processors on each node on the small scale. A sustained performance of more than 350 Tflop/s for a science run on using simultaneously 1600 Fermi C2050 GPUs is reached; a detailed performance model is presented and studies for the largest GPU clusters in China with up to Petaflop/s performance and 7000 Fermi GPU cards. In our case study we look at two supermassive black holes with equal and unequal masses embedded in a dense stellar cluster in a galactic nucleus. The hardening processes due to interactions between black holes and stars, effects of rotation in the stellar system and relativistic forces between the black holes are simultaneously taken into account. The simulation stops at the complete relativistic merger of the black holes.

Ultrafast photochemistry of methyl hydroperoxide on ice particles

PubMed Central

Kamboures, M. A.; Nizkorodov, S. A.; Gerber, R. B.

2009-01-01

Simulations show that photodissociation of methyl hydroperoxide, CH3OOH, on water clusters produces a surprisingly wide range of products on a subpicosecond time scale, pointing to the possibility of complex photodegradation pathways for organic peroxides on aerosols and water droplets. Dynamics are computed at several excitation energies at 50 K using a semiempirical PM3 potential surface. CH3OOH is found to prefer the exterior of the cluster, with the CH3O group sticking out and the OH group immersed within the cluster. At atmospherically relevant photodissociation wavelengths the OH and CH3O photofragments remain at the surface of the cluster or embedded within it. However, none of the 25 completed trajectories carried out at the atmospherically relevant photodissociation energies led to recombination of OH and CH3O to form CH3OOH. Within the limited statistics of the available trajectories the predicted yield for the recombination is zero. Instead, various reactions involving the initial fragments and water promptly form a wide range of stable molecular products such as CH2O, H2O, H2, CO, CH3OH, and H2O2. PMID:19846778

Searching for cluster magnetic fields in the cooling flows of 0745-191, A2029, and A4059

NASA Technical Reports Server (NTRS)

Taylor, Gregory B.; Barton, Elizabeth J.; Ge, Jingping

1994-01-01

We have performed sensitive polarimetric radio observations with the Very Large Array (VLA) of three galaxies: PKS 0745-191, PKS 1508+059, and PKS 2354-350, embedded in x-ray cooling flow clusters. High sensitivity, multifrequency maps of all three, along with spectral index and Faraday rotation measure (RM) maps of PKS 1508+059 and PKS 2354-350 are presented. For PKS 1508+059 and PKS 2354-350 models of the electron density of the intracluster medium (ICM) have been used to set lower limits of 0.1 and 2.7 microG, respectively, on the magnetic field in the ICM based on the observed RMs. In an x-ray selected sample of cooling flow clusters with an associated radio source, 57% (8/14) are found to have absolute RMs in excess of 800 radians/sq m. This sample includes the three sources of this study and all the other high RM sources found to date at zeta less than 0.4. These facts are consistent with the high RM phenomenon being produced by magnetic fields associated with the relatively dense, hot x-ray gas in cooling flow clusters.

From dust to light: a study of star formation in NGC2264

NASA Astrophysics Data System (ADS)

Teixeira, P. S.

2008-10-01

The goal of this dissertation is to characterize the star formation history of the young cluster NGC2264 using the unique observational capabilities of the Spitzer Space Telescope. The motivation to conduct this study stems from the fact that most stars are formed within clusters, so the formation and evolution of the latter will effect the stellar mass distribution in the field. Detailed observational studies of young stellar clusters are therefore crucial to provide necessary constraints for theoretical models of cloud and cluster formation and evolution. This study also addresses the evolution of circumstellar disks in NGC2264; empirical knowledge of protoplanetary disk evolution is required for the understanding of how planetary systems such as our own form. The first result obtained from this study was both completely new and unexpected. A dense region within NGC2264 was found to be teeming with bright 24 μm Class I protostars; these sources are embedded within dense submillimeter cores and are spatially distributed along dense filamentary fingers of gas and dust that radially converge on a B-type binary Class I source. This cluster of protostars was baptized the "Spokes cluster" and its analysis provided further insight into the role of thermal support during core formation, collapse and fragmentation. The nearest neighbor projected separation distribution of these Class I sources shows a characteristic spacing that is similar to the Jeans length for the region, indicating that the dusty filaments may have undergone thermal fragmentation. The submillimeter cores of the Spokes cluster were observed at 230GHz using the SubMillimeter Array (SMA) and the resulting high resolution (~1.3") continuum observations revealed a dense grouping of 7 Class 0 sources embedded within a particular core, D-MM1 (~20"x20"). The compact sources have masses ranging between 0.4M and 1.2M, and radii of ~600AU. The mean separation of the Class 0 sources within D-MM1 is considerably smaller than the characteristic spacing between the Class I sources in the larger Spokes cluster and is consistent with hierarchical thermal fragmentation of the dense molecular gas in this region. The results obtained by the study of the Spokes cluster show that the spatial substructuring of a cluster or subcluster is correlated with age, i.e., groupings of very young protostars have clearly more concentrated and substructured spatial distributions. The Spokes cluster could thus be one of several building blocks of NGC2264, and will likely expand and disperse its members through the surrounding region, adding to the rest of NGC2264's stellar population.To further explore this scenario, I identified Pre-Main Sequence (PMS) disk bearing sources in the whole region of NGC2264, as surveyed by InfraRed Array Camera (IRAC) analyzing both their spatial distributions and ages. Of the 1404 sources detected in all four IRAC bands, 116 sources were found to have anemic IRAC disks and 217 sources were found to have thick IRAC disks; the disk fraction was calculated to be 37.5%±6.3% and found to be a function of spectral type, increasing for later type sources. I identified 4 candidate sources with transition disks (disks with inner holes), as well as 6 sources with anemic inner disks and thick outer disks that could be the immediate precursors of transition disks. This is a relevant result for it suggests planet formation may be occurring in the inner disk at very early ages. I found that the spatial distribution of the disk-bearing sources was a function of both disk type and amount of reddening. This spatial analysis enabled the identification of three groups of sources, namely, (i) embedded (AV> 3 magnitudes) sources with thick disks, (ii) unembedded sources with thick disks, and (iii) sources with anemic disks. The first group was found to have a median age of 1 Myr and its spatial distribution is highly concentrated and substructured. The second group, (ii), has a median age of 2 Myr and its spatial distribution is less concentrated and substructured than group (i), but more than the group of sources with anemic disks - the spatial distribution of this third group (age ~ 2 Myr) is not substructured and is more distributed, showing no particular peak or concentration. The star formation history of NGC2264 appears to be as follows: the northern region appears to have undergone the first epoch or episode of star formation, while the second epoch is currently occurring in the center (Spokes cluster) and south (near Allen's source). Status: RO

Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.

PubMed

Schieschke, Nils; Di Remigio, Roberto; Frediani, Luca; Heuser, Johannes; Höfener, Sebastian

2017-07-15

We present the explicit derivation of an approach to the multiscale description of molecules in complex environments that combines frozen-density embedding (FDE) with continuum solvation models, in particular the conductor-like screening model (COSMO). FDE provides an explicit atomistic description of molecule-environment interactions at reduced computational cost, while the outer continuum layer accounts for the effect of long-range isotropic electrostatic interactions. Our treatment is based on a variational Lagrangian framework, enabling rigorous derivations of ground- and excited-state response properties. As an example of the flexibility of the theoretical framework, we derive and discuss FDE + COSMO analytical molecular gradients for excited states within the Tamm-Dancoff approximation (TDA) and for ground states within second-order Møller-Plesset perturbation theory (MP2) and a second-order approximate coupled cluster with singles and doubles (CC2). It is shown how this method can be used to describe vertical electronic excitation (VEE) energies and Stokes shifts for uracil in water and carbostyril in dimethyl sulfoxide (DMSO), respectively. In addition, VEEs for some simplified protein models are computed, illustrating the performance of this method when applied to larger systems. The interaction terms between the FDE subsystem densities and the continuum can influence excitation energies up to 0.3 eV and, thus, cannot be neglected for general applications. We find that the net influence of the continuum in presence of the first FDE shell on the excitation energy amounts to about 0.05 eV for the cases investigated. The present work is an important step toward rigorously derived ab initio multilayer and multiscale modeling approaches. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

The W40 region in the gould belt: An embedded cluster and H II region at the junction of filaments

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

Mallick, K. K.; Ojha, D. K.; Kumar, M. S. N.

We present a multiwavelength study of the W40 star-forming region using infrared (IR) observations in the UKIRT JHK bands, Spitzer Infrared Array Camera bands, and Herschel PACS bands, 2.12 μm H{sub 2} narrowband imaging, and radio continuum observations from GMRT (610 and 1280 MHz), in a field of view (FoV) of ∼34' × 40'. Archival Spitzer observations in conjunction with near-IR observations are used to identify 1162 Class II/III and 40 Class I sources in the FoV. The nearest-neighbor stellar surface density analysis shows that the majority of these young stellar objects (YSOs) constitute the embedded cluster centered on themore » high-mass source IRS 1A South. Some YSOs, predominantly the younger population, are distributed along and trace the filamentary structures at lower stellar surface density. The cluster radius is measured to be 0.44 pc—matching well with the extent of radio emission—with a peak density of 650 pc{sup –2}. The JHK data are used to map the extinction in the region, which is subsequently used to compute the cloud mass—126 M {sub ☉} and 71 M {sub ☉} for the central cluster and the northern IRS 5 region, respectively. H{sub 2} narrowband imaging shows significant emission, which prominently resembles fluorescent emission arising at the borders of dense regions. Radio continuum analysis shows that this region has a blister morphology, with the radio peak coinciding with a protostellar source. Free-free emission spectral energy distribution analysis is used to obtain physical parameters of the overall photoionized region and the IRS 5 sub-region. This multiwavelength scenario is suggestive of star formation having resulted from the merging of multiple filaments to form a hub. Star formation seems to have taken place in two successive epochs, with the first epoch traced by the central cluster and the high-mass star(s)—followed by a second epoch that is spreading into the filaments as uncovered by the Class I sources and even younger protostellar sources along the filaments. The IRS 5 H II region displays indications of swept-up material that has possibly led to the formation of protostars.« less

Method for preparing hydrous iron oxide gels and spherules

DOEpatents

Collins, Jack L.; Lauf, Robert J.; Anderson, Kimberly K.

2003-07-29

The present invention is directed to methods for preparing hydrous iron oxide spherules, hydrous iron oxide gels such as gel slabs, films, capillary and electrophoresis gels, iron monohydrogen phosphate spherules, hydrous iron oxide spherules having suspendable particles homogeneously embedded within to form composite sorbents and catalysts, iron monohydrogen phosphate spherules having suspendable particles of at least one different sorbent homogeneously embedded within to form a composite sorbent, iron oxide spherules having suspendable particles homogeneously embedded within to form a composite of hydrous iron oxide fiber materials, iron oxide fiber materials, hydrous iron oxide fiber materials having suspendable particles homogeneously embedded within to form a composite, iron oxide fiber materials having suspendable particles homogeneously embedded within to form a composite, dielectric spherules of barium, strontium, and lead ferrites and mixtures thereof, and composite catalytic spherules of barium or strontium ferrite embedded with oxides of Mg, Zn, Pb, Ce and mixtures thereof. These variations of hydrous iron oxide spherules and gel forms prepared by the gel-sphere, internal gelation process offer more useful forms of inorganic ion exchangers, catalysts, getters, dielectrics, and ceramics.

Metric Optimization for Surface Analysis in the Laplace-Beltrami Embedding Space

PubMed Central

Lai, Rongjie; Wang, Danny J.J.; Pelletier, Daniel; Mohr, David; Sicotte, Nancy; Toga, Arthur W.

2014-01-01

In this paper we present a novel approach for the intrinsic mapping of anatomical surfaces and its application in brain mapping research. Using the Laplace-Beltrami eigen-system, we represent each surface with an isometry invariant embedding in a high dimensional space. The key idea in our system is that we realize surface deformation in the embedding space via the iterative optimization of a conformal metric without explicitly perturbing the surface or its embedding. By minimizing a distance measure in the embedding space with metric optimization, our method generates a conformal map directly between surfaces with highly uniform metric distortion and the ability of aligning salient geometric features. Besides pairwise surface maps, we also extend the metric optimization approach for group-wise atlas construction and multi-atlas cortical label fusion. In experimental results, we demonstrate the robustness and generality of our method by applying it to map both cortical and hippocampal surfaces in population studies. For cortical labeling, our method achieves excellent performance in a cross-validation experiment with 40 manually labeled surfaces, and successfully models localized brain development in a pediatric study of 80 subjects. For hippocampal mapping, our method produces much more significant results than two popular tools on a multiple sclerosis study of 109 subjects. PMID:24686245

Research and Design of Embedded Wireless Meal Ordering System Based on SQLite

NASA Astrophysics Data System (ADS)

Zhang, Jihong; Chen, Xiaoquan

The paper describes features and internal architecture and developing method of SQLite. And then it gives a design and program of meal ordering system. The system realizes the information interaction among the users and embedded devices with SQLite as database system. The embedded database SQLite manages the data and achieves wireless communication by using Bluetooth. A system program based on Qt/Embedded and Linux drivers realizes the local management of environmental data.

An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data.

PubMed

Vu, Trung N; Valkenborg, Dirk; Smets, Koen; Verwaest, Kim A; Dommisse, Roger; Lemière, Filip; Verschoren, Alain; Goethals, Bart; Laukens, Kris

2011-10-20

Nuclear magnetic resonance spectroscopy (NMR) is a powerful technique to reveal and compare quantitative metabolic profiles of biological tissues. However, chemical and physical sample variations make the analysis of the data challenging, and typically require the application of a number of preprocessing steps prior to data interpretation. For example, noise reduction, normalization, baseline correction, peak picking, spectrum alignment and statistical analysis are indispensable components in any NMR analysis pipeline. We introduce a novel suite of informatics tools for the quantitative analysis of NMR metabolomic profile data. The core of the processing cascade is a novel peak alignment algorithm, called hierarchical Cluster-based Peak Alignment (CluPA). The algorithm aligns a target spectrum to the reference spectrum in a top-down fashion by building a hierarchical cluster tree from peak lists of reference and target spectra and then dividing the spectra into smaller segments based on the most distant clusters of the tree. To reduce the computational time to estimate the spectral misalignment, the method makes use of Fast Fourier Transformation (FFT) cross-correlation. Since the method returns a high-quality alignment, we can propose a simple methodology to study the variability of the NMR spectra. For each aligned NMR data point the ratio of the between-group and within-group sum of squares (BW-ratio) is calculated to quantify the difference in variability between and within predefined groups of NMR spectra. This differential analysis is related to the calculation of the F-statistic or a one-way ANOVA, but without distributional assumptions. Statistical inference based on the BW-ratio is achieved by bootstrapping the null distribution from the experimental data. The workflow performance was evaluated using a previously published dataset. Correlation maps, spectral and grey scale plots show clear improvements in comparison to other methods, and the down-to-earth quantitative analysis works well for the CluPA-aligned spectra. The whole workflow is embedded into a modular and statistically sound framework that is implemented as an R package called "speaq" ("spectrum alignment and quantitation"), which is freely available from http://code.google.com/p/speaq/.

Fuzzy Logic Based Anomaly Detection for Embedded Network Security Cyber Sensor

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

Ondrej Linda; Todd Vollmer; Jason Wright

Resiliency and security in critical infrastructure control systems in the modern world of cyber terrorism constitute a relevant concern. Developing a network security system specifically tailored to the requirements of such critical assets is of a primary importance. This paper proposes a novel learning algorithm for anomaly based network security cyber sensor together with its hardware implementation. The presented learning algorithm constructs a fuzzy logic rule based model of normal network behavior. Individual fuzzy rules are extracted directly from the stream of incoming packets using an online clustering algorithm. This learning algorithm was specifically developed to comply with the constrainedmore » computational requirements of low-cost embedded network security cyber sensors. The performance of the system was evaluated on a set of network data recorded from an experimental test-bed mimicking the environment of a critical infrastructure control system.« less

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.

PubMed

Berger, Daniel; Logsdail, Andrew J; Oberhofer, Harald; Farrow, Matthew R; Catlow, C Richard A; Sherwood, Paul; Sokol, Alexey A; Blum, Volker; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capability by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO2(110).

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

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

Berger, Daniel, E-mail: daniel.berger@ch.tum.de; Oberhofer, Harald; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capabilitymore » by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO{sub 2}(110)« less

Unveiling Deeply Embedded Sources by Near-Infrared Polarimetric Imaging

NASA Astrophysics Data System (ADS)

Yao, Yongqiang; Ishii, Miki; Nagata, Tetsuya; Nakaya, Hidehiko; Sato, Shuji

2000-10-01

Near-infrared polarimetric images are presented for six molecular outflow sources: IRAS 20050+2720, IRAS 20126+4104, IRAS 20188+3928, S233, AFGL 5180, and AFGL 6366S. All the regions are found to exhibit reflection nebulae and to be associated with massive and clustered star formation. By inspecting polarimetric patterns in the nebulae, we have identified six deeply embedded sources (DESs) which illuminate circumstellar nebulosity but are not detectable in wavelengths shorter than 2 μm. While the DES in IRAS 20050 coincides with an infrared source in a previous, longer wavelength observation and the one in IRAS 20126 with a hot molecular core, the nature of the other newly discovered DESs is not known. From the compilation of the observations of DESs over a large wavelength range, we suspect that the DESs possess characteristics similar to hot molecular cores and are likely to be in the pre-ultracompact H II region phase of massive star formation.

LC Circuits for Diagnosing Embedded Piezoelectric Devices

NASA Technical Reports Server (NTRS)

Chattin, Richard L.; Fox, Robert Lee; Moses, Robert W.; Shams, Qamar A.

2005-01-01

A recently invented method of nonintrusively detecting faults in piezoelectric devices involves measurement of the resonance frequencies of inductor capacitor (LC) resonant circuits. The method is intended especially to enable diagnosis of piezoelectric sensors, actuators, and sensor/actuators that are embedded in structures and/or are components of multilayer composite material structures.

Dimension from covariance matrices.

PubMed

Carroll, T L; Byers, J M

2017-02-01

We describe a method to estimate embedding dimension from a time series. This method includes an estimate of the probability that the dimension estimate is valid. Such validity estimates are not common in algorithms for calculating the properties of dynamical systems. The algorithm described here compares the eigenvalues of covariance matrices created from an embedded signal to the eigenvalues for a covariance matrix of a Gaussian random process with the same dimension and number of points. A statistical test gives the probability that the eigenvalues for the embedded signal did not come from the Gaussian random process.

High-speed event detector for embedded nanopore bio-systems.

PubMed

Huang, Yiyun; Magierowski, Sebastian; Ghafar-Zadeh, Ebrahim; Wang, Chengjie

2015-08-01

Biological measurements of microscopic phenomena often deal with discrete-event signals. The ability to automatically carry out such measurements at high-speed in a miniature embedded system is desirable but compromised by high-frequency noise along with practical constraints on filter quality and sampler resolution. This paper presents a real-time event-detection method in the context of nanopore sensing that helps to mitigate these drawbacks and allows accurate signal processing in an embedded system. Simulations show at least a 10× improvement over existing on-line detection methods.

Speaker Linking and Applications using Non-Parametric Hashing Methods

DTIC Science & Technology

2016-09-08

clustering method based on hashing—canopy- clustering . We apply this method to a large corpus of speaker recordings, demonstrate performance tradeoffs...and compare to other hash- ing methods. Index Terms: speaker recognition, clustering , hashing, locality sensitive hashing. 1. Introduction We assume...speaker in our corpus. Second, given a QBE method, how can we perform speaker clustering —each clustering should be a single speaker, and a cluster should

Cell Kinetic and Histomorphometric Analysis of Microgravitational Osteopenia: PARE.03B

NASA Technical Reports Server (NTRS)

Roberts, W. Eugene; Garetto, Lawrence P.

1998-01-01

Previous methods of identifying cells undergoing DNA synthesis (S-phase) utilized H-3 thymidine (3HT) autoradiography. 5-Bromo-2'-deoxyuridine (BrdU) immunohistochemistry is a nonradioactive alternative method. This experiment compared the two methods using the nuclear volume model for osteoblast histogenesis in two different embedding media. Twenty Sprague-Dawley rats were used, with half receiving 3HT (1 micro Ci/g) and the other half BrdU (50 microgram/g). Condyies were embedded (one side in paraffin, the other in plastic) and S-phase nuclei were identified using either autoradiography or immunohistochemistry. The fractional distribution of preosteoblast cell types and the percentage of labeled cells (within each cell fraction and label index) were calculated and expressed as mean q standard error. Chi-Square analysis showed only a minor difference in the fractional distribution of cell types. However, there were significant differences (p less than 0.05) by ANOVA, in the nuclear labeling of specific cell types. With the exception of the less-differentiated A+A'cells, more BrdU label was consistently detected in paraffin than in plastic-embedded sections. In general, more nuclei were labeled with 3H-thymidine than with BrdU in both types of embedding media. Labeling index data (labeled cells/total cells sampled x 100) indicated that BrdU in paraffin, but not plastic gave the same results as 3HT in either embedding method. Thus, we conclude that the two labeling methods do not yield the same results for the nuclear volume model and that embedding media is an important factor whenusing BrdU. As a result of this work, 3HT was chosen for used in the PARE.03 flight experiments.

Choosing a Cluster Sampling Design for Lot Quality Assurance Sampling Surveys

PubMed Central

Hund, Lauren; Bedrick, Edward J.; Pagano, Marcello

2015-01-01

Lot quality assurance sampling (LQAS) surveys are commonly used for monitoring and evaluation in resource-limited settings. Recently several methods have been proposed to combine LQAS with cluster sampling for more timely and cost-effective data collection. For some of these methods, the standard binomial model can be used for constructing decision rules as the clustering can be ignored. For other designs, considered here, clustering is accommodated in the design phase. In this paper, we compare these latter cluster LQAS methodologies and provide recommendations for choosing a cluster LQAS design. We compare technical differences in the three methods and determine situations in which the choice of method results in a substantively different design. We consider two different aspects of the methods: the distributional assumptions and the clustering parameterization. Further, we provide software tools for implementing each method and clarify misconceptions about these designs in the literature. We illustrate the differences in these methods using vaccination and nutrition cluster LQAS surveys as example designs. The cluster methods are not sensitive to the distributional assumptions but can result in substantially different designs (sample sizes) depending on the clustering parameterization. However, none of the clustering parameterizations used in the existing methods appears to be consistent with the observed data, and, consequently, choice between the cluster LQAS methods is not straightforward. Further research should attempt to characterize clustering patterns in specific applications and provide suggestions for best-practice cluster LQAS designs on a setting-specific basis. PMID:26125967

Choosing a Cluster Sampling Design for Lot Quality Assurance Sampling Surveys.

PubMed

Hund, Lauren; Bedrick, Edward J; Pagano, Marcello

2015-01-01

Lot quality assurance sampling (LQAS) surveys are commonly used for monitoring and evaluation in resource-limited settings. Recently several methods have been proposed to combine LQAS with cluster sampling for more timely and cost-effective data collection. For some of these methods, the standard binomial model can be used for constructing decision rules as the clustering can be ignored. For other designs, considered here, clustering is accommodated in the design phase. In this paper, we compare these latter cluster LQAS methodologies and provide recommendations for choosing a cluster LQAS design. We compare technical differences in the three methods and determine situations in which the choice of method results in a substantively different design. We consider two different aspects of the methods: the distributional assumptions and the clustering parameterization. Further, we provide software tools for implementing each method and clarify misconceptions about these designs in the literature. We illustrate the differences in these methods using vaccination and nutrition cluster LQAS surveys as example designs. The cluster methods are not sensitive to the distributional assumptions but can result in substantially different designs (sample sizes) depending on the clustering parameterization. However, none of the clustering parameterizations used in the existing methods appears to be consistent with the observed data, and, consequently, choice between the cluster LQAS methods is not straightforward. Further research should attempt to characterize clustering patterns in specific applications and provide suggestions for best-practice cluster LQAS designs on a setting-specific basis.

Structural evolution and atomic dynamics in Ni-Nb metallic glasses: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Xu, T. D.; Wang, X. D.; Zhang, H.; Cao, Q. P.; Zhang, D. X.; Jiang, J. Z.

2017-10-01

The composition and temperature dependence of static and dynamic structures in NixNb1-x (x = 50-70 at. %) were systematically studied using molecular dynamics with a new-released semi-empirical embedded atom method potential by Mendelev. The calculated pair correlation functions and the structure factor match well with the experimental data, demonstrating the reliability of the potential within relatively wide composition and temperature ranges. The local atomic structures were then characterized by bond angle distributions and Voronoi tessellation methods, demonstrating that the icosahedral ⟨0,0,12,0⟩ is only a small fraction in the liquid state but increases significantly during cooling and becomes dominant at 300 K. The most abundant clusters are identified as ⟨0,0,12,0⟩ and distorted icosahedron ⟨0,2,8,2⟩. The large fraction of these two clusters hints that the relatively good glass forming ability is near the eutectic point. Unlike Cu-Zr alloys, both the self-diffusion coefficient and shear viscosity are insensitive to compositions upon cooling in Ni-Nb alloys. The breakdown of the Stokes-Einstein relation happens at around 1.6Tg (Tg: glass transition temperature). In the amorphous state, the solid and liquid-like atoms can be distinguished based on the Debye-Waller factor ⟨u2⟩. The insensitivity of the dynamic properties of Ni-Nb alloys to compositions may result from the relatively simple solidification process in the phase diagram, in which only one eutectic point exists in the studied composition range.