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.

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.

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.

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.

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.

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.

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.

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.

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.

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

The nature, origin and evolution of embedded star clusters

NASA Technical Reports Server (NTRS)

Lada, Charles J.; Lada, Elizabeth A.

1991-01-01

The recent development of imaging infrared array cameras has enabled the first systematic studies of embedded protoclusters in the galaxy. Initial investigations suggest that rich embedded clusters are quite numerous and that a significant fraction of all stars formed in the galaxy may begin their lives in such stellar systems. These clusters contain extremely young stellar objects and are important laboratories for star formation research. However, observational and theoretical considerations suggest that most embedded clusters do not survive emergence from molecular clouds as bound clusters. Understanding the origin, nature, and evolution of embedded clusters requires understanding the intimate physical relation between embedded clusters and the dense molecular cloud cores from which they form.

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.

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.

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.

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.

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.

Embedded cluster metal-polymeric micro interface and process for producing the same

DOEpatents

Menezes, Marlon E.; Birnbaum, Howard K.; Robertson, Ian M.

2002-01-29

A micro interface between a polymeric layer and a metal layer includes isolated clusters of metal partially embedded in the polymeric layer. The exposed portion of the clusters is smaller than embedded portions, so that a cross section, taken parallel to the interface, of an exposed portion of an individual cluster is smaller than a cross section, taken parallel to the interface, of an embedded portion of the individual cluster. At least half, but not all of the height of a preferred spherical cluster is embedded. The metal layer is completed by a continuous layer of metal bonded to the exposed portions of the discontinuous clusters. The micro interface is formed by heating a polymeric layer to a temperature, near its glass transition temperature, sufficient to allow penetration of the layer by metal clusters, after isolated clusters have been deposited on the layer at lower temperatures. The layer is recooled after embedding, and a continuous metal layer is deposited upon the polymeric layer to bond with the discontinuous metal clusters.

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.

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.

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

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.

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.

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

Slingshot mechanism for clusters: Gas density regulates star density in the Orion Nebula Cluster (M42)

NASA Astrophysics Data System (ADS)

Stutz, Amelia M.

2018-02-01

We characterize the stellar and gas volume density, potential, and gravitational field profiles in the central ∼0.5 pc of the Orion Nebula Cluster (ONC), the nearest embedded star cluster (or rather, protocluster) hosting massive star formation available for detailed observational scrutiny. We find that the stellar volume density is well characterized by a Plummer profile ρstars(r) = 5755 M⊙ pc- 3 (1 + (r/a)2)- 5/2, where a = 0.36 pc. The gas density follows a cylindrical power law ρgas(R) = 25.9 M⊙ pc- 3 (R/pc)- 1.775. The stellar density profile dominates over the gas density profile inside r ∼ 1 pc. The gravitational field is gas-dominated at all radii, but the contribution to the total field by the stars is nearly equal to that of the gas at r ∼ a. This fact alone demonstrates that the protocluster cannot be considered a gas-free system or a virialized system dominated by its own gravity. The stellar protocluster core is dynamically young, with an age of ∼2-3 Myr, a 1D velocity dispersion of σobs = 2.6 km s-1, and a crossing time of ∼0.55 Myr. This time-scale is almost identical to the gas filament oscillation time-scale estimated recently by Stutz & Gould. This provides strong evidence that the protocluster structure is regulated by the gas filament. The protocluster structure may be set by tidal forces due to the oscillating filamentary gas potential. Such forces could naturally suppress low density stellar structures on scales ≳ a. The analysis presented here leads to a new suggestion that clusters form by an analogue of the 'slingshot mechanism' previously proposed for stars.

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.

MYStIX: Dynamical evolution of young clusters

NASA Astrophysics Data System (ADS)

Kuhn, Michael A.

2014-08-01

The spatial structure of young stellar clusters in Galactic star-forming regions provides insight into these clusters’ dynamical evolution---a topic with implications for open questions in star-formation and cluster survival. The Massive Young Star-Forming Complex Study in Infrared and X-ray (MYStIX) provides a sample of >30,000 young stars in star-forming regions (d<3.6 kpc) that contain at least one O-type star. We use the finite mixture model analysis to identify subclusters of stars and determine their properties: including subcluster radii, intrinsic numbers of stars, central density, ellipticity, obscuration, and age. In 17 MYStIX regions we find 142 subclusters, with a diverse radii and densities and age spreads of up to ~1 Myr in a region. There is a strong negative correlation between subcluster radius and density, which indicates that embedded subclusters expand but also gain stars as they age. Subcluster expansion is also shown by a positive radius--age correlation, which indicates that subclusters are expanding at <1 km/s. The subcluster ellipticity distribution and number--density relation show signs of a hierarchical merger scenario, whereby young stellar clusters are built up through mergers of smaller clumps, causing evolution from a clumpy spatial distribution of stars (seen in some regions) to a simpler distribution of stars (seen in other regions). Many of the simple young stellar clusters show signs of dynamically relaxation, even though they are not old enough for this to have occurred through two-body interactions. However, this apparent contradiction might be explained if small subcluster, which have shorter dynamical relaxation times, can produce dynamically relaxed clusters through hierarchical mergers.

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.

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

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.

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.

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.

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.

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.

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.

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.

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

X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory.

PubMed

Fernando, Ranelka G; Balhoff, Mary C; Lopata, Kenneth

2015-02-10

Non-Hermitian real-time time-dependent density functional theory was used to compute the Si L-edge X-ray absorption spectrum of α-quartz using an embedded finite cluster model and atom-centered basis sets. Using tuned range-separated functionals and molecular orbital-based imaginary absorbing potentials, the excited states spanning the pre-edge to ∼20 eV above the ionization edge were obtained in good agreement with experimental data. This approach is generalizable to TDDFT studies of core-level spectroscopy and dynamics in a wide range of materials.

A large-scale structure traced by [O II] emitters hosting a distant cluster at z= 1.62

NASA Astrophysics Data System (ADS)

Tadaki, Ken-ichi; Kodama, Tadayuki; Ota, Kazuaki; Hayashi, Masao; Koyama, Yusei; Papovich, Casey; Brodwin, Mark; Tanaka, Masayuki; Iye, Masanori

2012-07-01

We present a panoramic narrow-band imaging survey of [O II] emitters in and around the ClG J0218.3-0510 cluster at z= 1.62 with Suprime-Cam on Subaru Telescope. 352 [O II] emitters were identified on the basis of narrow-band excesses and photometric redshifts. We discovered a huge filamentary structure with some clumps traced by [O II] emitters and found that the ClG J0218.3-0510 cluster is embedded in an even larger superstructure than the one reported previously. 31 [O II] emitters were spectroscopically confirmed with the detection of Hα and/or [O III] emission lines by Fibre Multi Object Spectrograph observations. In the high-density regions such as cluster core and clumps, star-forming [O II] emitters show a high overdensity by a factor of more than 10 compared to the field region. Interestingly, the relative fraction of [O II] emitters in photo-z selected sample does not depend significantly on the local density. Although the star formation activity is very high even in the cluster core, some massive quiescent galaxies also exist at the same time. Furthermore, the properties of the individual [O II] emitters, such as star formation rates (SFRs), stellar masses and specific SFRs, do not show a significant dependence on the local density, either. Such a lack of environmental dependence is consistent with our earlier result by Hayashi et al. on a z= 1.5 cluster and its surrounding region. The fact that the star-forming activity of galaxies in the cluster core is as high as that in the field at z˜ 1.6 may suggest that the star-forming galaxies are probably just in a transition phase from a starburst mode to a quiescent mode, and are thus showing comparable level of star formation rates to those in lower density environments. We may be witnessing the start of the reversal of the local SFR-density relation due to the 'biased' galaxy formation and evolution in high-density regions at this high redshift, beyond which massive galaxies would be forming vigorously in a more biased way in protocluster cores.

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.

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.

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.

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

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.

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.

Fibers in the NGC 1333 proto-cluster

NASA Astrophysics Data System (ADS)

Hacar, A.; Tafalla, M.; Alves, J.

2017-10-01

Are the initial conditions for clustered star formation the same as for non-clustered star formation? To investigate the initial gas properties in young proto-clusters we carried out a comprehensive and high-sensitivity study of the internal structure, density, temperature, and kinematics of the dense gas content of the NGC 1333 region in Perseus, one of the nearest and best studied embedded clusters. The analysis of the gas velocities in the position-position-velocity space reveals an intricate underlying gas organization both in space and velocity. We identified a total of 14 velocity-coherent, (tran-)sonic structures within NGC 1333, with similar physical and kinematic properties than those quiescent, star-forming (aka fertile) fibers previously identified in low-mass star-forming clouds. These fibers are arranged in a complex spatial network, build-up the observed total column density, and contain the dense cores and protostars in this cloud. Our results demonstrate that the presence of fibers is not restricted to low-mass clouds but can be extended to regions of increasing mass and complexity. We propose that the observational dichotomy between clustered and non-clustered star-forming regions might be naturally explained by the distinct spatial density of fertile fibers in these environments. Based on observations carried out under project number 169-11 with the IRAM 30 m Telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany) and IGN (Spain).Based on observations with the 100-m telescope of the MPIfR (Max-Planck-Institut für Radioastronomie) at Effelsberg.Molecular line observations (spectral cubes) 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/606/A123

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

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.

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 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

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.

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

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.

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).

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.

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.

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.

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.

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.

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.

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.

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.

Globular Cluster Formation at High Density: A Model for Elemental Enrichment with Fast Recycling of Massive-star Debris

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

Elmegreen, Bruce G., E-mail: bge@us.ibm.com

The self-enrichment of massive star clusters by p -processed elements is shown to increase significantly with increasing gas density as a result of enhanced star formation rates and stellar scatterings compared to the lifetime of a massive star. Considering the type of cloud core where a globular cluster (GC) might have formed, we follow the evolution and enrichment of the gas and the time dependence of stellar mass. A key assumption is that interactions between massive stars are important at high density, including interactions between massive stars and massive-star binaries that can shred stellar envelopes. Massive-star interactions should also scattermore » low-mass stars out of the cluster. Reasonable agreement with the observations is obtained for a cloud-core mass of ∼4 × 10{sup 6} M {sub ⊙} and a density of ∼2 × 10{sup 6} cm{sup −3}. The results depend primarily on a few dimensionless parameters, including, most importantly, the ratio of the gas consumption time to the lifetime of a massive star, which has to be low, ∼10%, and the efficiency of scattering low-mass stars per unit dynamical time, which has to be relatively large, such as a few percent. Also for these conditions, the velocity dispersions of embedded GCs should be comparable to the high gas dispersions of galaxies at that time, so that stellar ejection by multistar interactions could cause low-mass stars to leave a dwarf galaxy host altogether. This could solve the problem of missing first-generation stars in the halos of Fornax and WLM.« less

Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding Charges.

PubMed

Leverentz, Hannah R; Truhlar, Donald G

2009-06-09

This work tests the capability of the electrostatically embedded many-body (EE-MB) method to calculate accurate (relative to conventional calculations carried out at the same level of electronic structure theory and with the same basis set) binding energies of mixed clusters (as large as 9-mers) consisting of water, ammonia, sulfuric acid, and ammonium and bisulfate ions. This work also investigates the dependence of the accuracy of the EE-MB approximation on the type and origin of the charges used for electrostatically embedding these clusters. The conclusions reached are that for all of the clusters and sets of embedding charges studied in this work, the electrostatically embedded three-body (EE-3B) approximation is capable of consistently yielding relative errors of less than 1% and an average relative absolute error of only 0.3%, and that the performance of the EE-MB approximation does not depend strongly on the specific set of embedding charges used. The electrostatically embedded pairwise approximation has errors about an order of magnitude larger than EE-3B. This study also explores the question of why the accuracy of the EE-MB approximation shows such little dependence on the types of embedding charges employed.

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

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.

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.

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 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.

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.

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.

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

McDonald, M.; Allen, S. W.; Bayliss, M.

Here, we present the results of a Chandra X-ray survey of the eight most massive galaxy clusters at z > 1.2 in the South Pole Telescope 2500 deg2 survey. We combine this sample with previously published Chandra observations of 49 massive X-ray-selected clusters at 0 < z < 0.1 and 90 Sunyaev–Zel'dovich–selected clusters at 0.25 < z < 1.2 to constrain the evolution of the intracluster medium (ICM) over the past ~10 Gyr. We find that the bulk of the ICM has evolved self-similarly over the full redshift range probed here, with the ICM density atmore » $$r\\gt 0.2{R}_{500}$$ scaling like $$E{(z)}^{2}$$. In the centers of clusters ($$r\\lesssim 0.01{R}_{500}$$), we find significant deviations from self-similarity ($${n}_{e}\\propto E{(z)}^{0.2\\pm 0.5}$$), consistent with no redshift dependence. When we isolate clusters with overdense cores (i.e., cool cores), we find that the average overdensity profile has not evolved with redshift—that is, cool cores have not changed in size, density, or total 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

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

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.

Diverse Power Iteration Embeddings and Its Applications

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

Huang H.; Yoo S.; Yu, D.

2014-12-14

Abstract—Spectral Embedding is one of the most effective dimension reduction algorithms in data mining. However, its computation complexity has to be mitigated in order to apply it for real-world large scale data analysis. Many researches have been focusing on developing approximate spectral embeddings which are more efficient, but meanwhile far less effective. This paper proposes Diverse Power Iteration Embeddings (DPIE), which not only retains the similar efficiency of power iteration methods but also produces a series of diverse and more effective embedding vectors. We test this novel method by applying it to various data mining applications (e.g. clustering, anomaly detectionmore » and feature selection) and evaluating their performance improvements. The experimental results show our proposed DPIE is more effective than popular spectral approximation methods, and obtains the similar quality of classic spectral embedding derived from eigen-decompositions. Moreover it is extremely fast on big data applications. For example in terms of clustering result, DPIE achieves as good as 95% of classic spectral clustering on the complex datasets but 4000+ times faster in limited memory environment.« less

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.

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.

Orthogonality of embedded wave functions for different states in frozen-density embedding theory

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

Zech, Alexander; Wesolowski, Tomasz A.; Aquilante, Francesco

2015-10-28

Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles — embedded wave functions are only auxiliary objects used to obtain stationary densities — working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematicalmore » structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities.« less

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

Communication: X-ray coherent diffractive imaging by immersion in nanodroplets

DOE PAGES

Tanyag, Rico Mayro P.; Bernando, Charles; Jones, Curtis F.; ...

2015-10-14

Lensless x-ray microscopy requires the recovery of the phase of the radiation scattered from a specimen. Here, we demonstrate a de novo phase retrieval technique by encapsulating an object in a superfluid helium nanodroplet, which provides both a physical support and an approximate scattering phase for the iterative image reconstruction. The technique is robust, fast-converging, and yields the complex density of the immersed object. As a result, images of xenon clusters embedded in superfluid helium droplets reveal transient configurations of quantum vortices in this fragile system.

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

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.

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

Single-crystal Cr2O3 nanoplates with differing crystalinities, derived from trinuclear complexes and embedded in a carbon matrix, as an electrode material for supercapacitors.

PubMed

Zhu, Jikui; Jiang, Yuqian; Lu, Zhiyong; Zhao, Chenglan; Xie, Li; Chen, Lingyun; Duan, Jingui

2017-07-15

As one kind of important p-type semiconductors, Cr 2 O 3 has been widely used for optical and electronic devices due to its high electrical conductivity and special optoelectronic characteristics, as well as high chemical and thermal stability. In this paper, single-crystalline Cr 2 O 3 nanoplates embedded in carbon matrix were successfully synthesized through direct thermal decomposition of a trinuclear cluster complex of [Cr 3 O(CH 3 CO 2 ) 6 (H 2 O) 3 ]NO 3 ·CH 3 COOH ([Cr 3 O]) in Ar atmosphere. The synergetic effect of the plate-like structure and embedding in carbon matrix contributes to the enhanced electrochemical performance of the Cr 2 O 3 -C nanoplates. Owing to different crystallinity and composition, the obtained products at 400, 500, 600, and 700°C with different carbon content of 12.52, 8.26, 5.35 and 3.27% exhibited enhanced battery-type electrode materials in three-electrode system with high specific capacitance (823.11, 781.65, 720.72, and 696.73Fg -1 at 1Ag -1 ) and remarkable cycling stability (about 0.3, 2.7, 4.5 and 5.6% loss of its initial capacitance after 5000 charge-discharge cycles at a current density of 5Ag -1 ). Furthermore, an assembled asymmetric device (Cr 2 O 3 -C nanoplates (positive electrode)//activated carbon (AC, negative one)) with an extended operating voltage window of 1.8V achieves a specific capacitance of 58.06Fg -1 at the current density of 1Ag -1 and an energy density of 26.125Whkg -1 at power density of 0.9kWkg -1 , as well as superior cycling stability with 91.4% capacitance retention after 10,000 cycles. The results indicate that the Cr 2 O 3 nanoplates embedded in carbon matrix show promising potential to construct high-performance energy storage devices. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: the example of Y2O3:Bi(3+).

PubMed

Réal, Florent; Ordejón, Belén; Vallet, Valérie; Flament, Jean-Pierre; Schamps, Joël

2009-11-21

New ab initio embedded-cluster calculations devoted to simulating the electronic spectroscopy of Bi(3+) impurities in Y(2)O(3) sesquioxide for substitutions in either S(6) or C(2) cationic sites have been carried out taking special care of the quality of the environment. A considerable quantitative improvement with respect to previous studies [F. Real et al. J. Chem. Phys. 125, 174709 (2006); F. Real et al. J. Chem. Phys. 127, 104705 (2007)] is brought by using environments of the impurities obtained via supercell techniques that allow the whole (pseudo) crystal to relax (WCR geometries) instead of environments obtained from local relaxation of the first coordination shell only (FSR geometries) within the embedded cluster approach, as was done previously. In particular the uniform 0.4 eV discrepancy of absorption energies found previously with FSR environments disappears completely when the new WCR environments of the impurities are employed. Moreover emission energies and hence Stokes shifts are in much better agreement with experiment. These decisive improvements are mainly due to a lowering of the local point-group symmetry (S(6)-->C(3) and C(2)-->C(1)) when relaxing the geometry of the emitting (lowest) triplet state. This symmetry lowering was not observed in FSR embedded cluster relaxations because the crystal field of the embedding frozen at the genuine pure crystal positions seems to be a more important driving force than the interactions within the cluster, thus constraining the overall symmetry of the system. Variations of the doping rate are found to have negligible influence on the spectra. In conclusion, the use of WCR environments may be crucial to render the structural distortions occurring in a doped crystal and it may help to significantly improve the embedded-cluster methodology to reach the quantitative accuracy necessary to interpret and predict luminescence properties of doped materials of this type.

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.

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.

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

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.

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.

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.

Half-metallic ferromagnetism in substitutionally doped boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-11-01

We perform first-principles molecular dynamics simulations to investigate the magnetoelectronic response of substitutionally doped boronitrene to thermal excitation. We show that the local geometry, size, and edge termination of the substitutional complexes of boron, carbon, or nitrogen determine the thermodynamic stability of the monolayer. We find that hexagonal boron or triangular carbon clusters induce finite magnetic moments with 100% spin-polarized Fermi-level electrons in boronitrene. In such carbon substitutions, the spontaneous magnetic moment increases with the size of the embedded carbon cluster, and results in half-metallic ferrimagnetism above 750 K with a corresponding Curie point of 1250 K, above which the magnetization density vanishes. We predict an ultrahigh temperature half-metallic ferromagnetic phase in impurity-free boronitrene, when any three nearest-neighbor nitrogen atoms are substituted with boron, with unquenched magnetic moment up to its melting point.

Mid-course multi-target tracking using continuous representation

NASA Technical Reports Server (NTRS)

Zak, Michail; Toomarian, Nikzad

1991-01-01

The thrust of this paper is to present a new approach to multi-target tracking for the mid-course stage of the Strategic Defense Initiative (SDI). This approach is based upon a continuum representation of a cluster of flying objects. We assume that the velocities of the flying objects can be embedded into a smooth velocity field. This assumption is based upon the impossibility of encounters in a high density cluster between the flying objects. Therefore, the problem is reduced to an identification of a moving continuum based upon consecutive time frame observations. In contradistinction to the previous approaches, here each target is considered as a center of a small continuous neighborhood subjected to a local-affine transformation, and therefore, the target trajectories do not mix. Obviously, their mixture in plane of sensor view is apparent. The approach is illustrated by an example.

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

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.

Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters

NASA Astrophysics Data System (ADS)

Bonacic-Koutecky, Vlasta; Burda, Jaroslav; Mitric, Roland; Ge, Maofa; Zampella, Giuseppe; Fantucci, Piercarlo

2002-08-01

Bimetallic silver-gold clusters offer an excellent opportunity to study changes in metallic versus "ionic" properties involving charge transfer as a function of the size and the composition, particularly when compared to pure silver and gold clusters. We have determined structures, ionization potentials, and vertical detachment energies for neutral and charged bimetallic AgmAun 3[less-than-or-equal](m+n)[less-than-or-equal]5 clusters. Calculated VDE values compare well with available experimental data. In the stable structures of these clusters Au atoms assume positions which favor the charge transfer from Ag atoms. Heteronuclear bonding is usually preferred to homonuclear bonding in clusters with equal numbers of hetero atoms. In fact, stable structures of neutral Ag2Au2, Ag3Au3, and Ag4Au4 clusters are characterized by the maximum number of hetero bonds and peripheral positions of Au atoms. Bimetallic tetramer as well as hexamer are planar and have common structural properties with corresponding one-component systems, while Ag4Au4 and Ag8 have 3D forms in contrast to Au8 which assumes planar structure. At the density functional level of theory we have shown that this is due to participation of d electrons in bonding of pure Aun clusters while s electrons dominate bonding in pure Agm as well as in bimetallic clusters. In fact, Aun clusters remain planar for larger sizes than Agm and AgnAun clusters. Segregation between two components in bimetallic systems is not favorable, as shown in the example of Ag5Au5 cluster. We have found that the structures of bimetallic clusters with 20 atoms Ag10Au10 and Ag12Au8 are characterized by negatively charged Au subunits embedded in Ag environment. In the latter case, the shape of Au8 is related to a pentagonal bipyramid capped by one atom and contains three exposed negatively charged Au atoms. They might be suitable for activating reactions relevant to catalysis. According to our findings the charge transfer in bimetallic clusters is responsible for formation of negatively charged gold subunits which are expected to be reactive, a situation similar to that of gold clusters supported on metal oxides.

Unlearning of Mixed States in the Hopfield Model —Extensive Loading Case—

NASA Astrophysics Data System (ADS)

Hayashi, Kao; Hashimoto, Chinami; Kimoto, Tomoyuki; Uezu, Tatsuya

2018-05-01

We study the unlearning of mixed states in the Hopfield model for the extensive loading case. Firstly, we focus on case I, where several embedded patterns are correlated with each other, whereas the rest are uncorrelated. Secondly, we study case II, where patterns are divided into clusters in such a way that patterns in any cluster are correlated but those in two different clusters are not correlated. By using the replica method, we derive the saddle point equations for order parameters under the ansatz of replica symmetry. The same equations are also derived by self-consistent signal-to-noise analysis in case I. In both cases I and II, we find that when the correlation between patterns is large, the network loses its ability to retrieve the embedded patterns and, depending on the parameters, a confused memory, which is a mixed state and/or spin glass state, emerges. By unlearning the mixed state, the network acquires the ability to retrieve the embedded patterns again in some parameter regions. We find that to delete the mixed state and to retrieve the embedded patterns, the coefficient of unlearning should be chosen appropriately. We perform Markov chain Monte Carlo simulations and find that the simulation and theoretical results agree reasonably well, except for the spin glass solution in a parameter region due to the replica symmetry breaking. Furthermore, we find that the existence of many correlated clusters reduces the stabilities of both embedded patterns and mixed states.

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.

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).

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

Nonlinear dimensionality reduction of data lying on the multicluster manifold.

PubMed

Meng, Deyu; Leung, Yee; Fung, Tung; Xu, Zongben

2008-08-01

A new method, which is called decomposition-composition (D-C) method, is proposed for the nonlinear dimensionality reduction (NLDR) of data lying on the multicluster manifold. The main idea is first to decompose a given data set into clusters and independently calculate the low-dimensional embeddings of each cluster by the decomposition procedure. Based on the intercluster connections, the embeddings of all clusters are then composed into their proper positions and orientations by the composition procedure. Different from other NLDR methods for multicluster data, which consider associatively the intracluster and intercluster information, the D-C method capitalizes on the separate employment of the intracluster neighborhood structures and the intercluster topologies for effective dimensionality reduction. This, on one hand, isometrically preserves the rigid-body shapes of the clusters in the embedding process and, on the other hand, guarantees the proper locations and orientations of all clusters. The theoretical arguments are supported by a series of experiments performed on the synthetic and real-life data sets. In addition, the computational complexity of the proposed method is analyzed, and its efficiency is theoretically analyzed and experimentally demonstrated. Related strategies for automatic parameter selection are also examined.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

NASA Astrophysics Data System (ADS)

Wu, Xufen; Wang, Yougang; Feix, Martin; Zhao, HongSheng

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N-body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

Synthesis of Fe3O4 cluster microspheres/graphene aerogels composite as anode for high-performance lithium ion battery

NASA Astrophysics Data System (ADS)

Zhou, Shuai; Zhou, Yu; Jiang, Wei; Guo, Huajun; Wang, Zhixing; Li, Xinhai

2018-05-01

Iron oxides are considered as attractive electrode materials because of their capability of lithium storage, but their poor conductivity and large volume expansion lead to unsatisfactory cycling stability. We designed and synthesized a novel Fe3O4 cluster microspheres/Graphene aerogels composite (Fe3O4/GAs), where Fe3O4 nanoparticles were assembled into cluster microspheres and then embedded in 3D graphene aerogels framework. In the spheres, the sufficient free space between Fe3O4 nanoparticles could accommodate the volume change during cycling process. Graphene aerogel works as flexible and conductive matrix, which can not only significantly increase the mechanical stress, but also further improve the storage properties. The Fe3O4/GAs composite as an anode material exhibits high reversible capability and excellent cyclic capacity for lithium ion batteries (LIBs). A reversible capability of 650 mAh g-1 after 500 cycles at a current density of 1 A g-1 can be maintained. The superior storage capabilities of the composites make them potential anode materials for LIBs.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

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

Wu, Xufen; Wang, Yougang; Feix, Martin

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N -body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbitsmore » with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.« less

Galaxy evolution. Quasar quartet embedded in giant nebula reveals rare massive structure in distant universe.

PubMed

Hennawi, Joseph F; Prochaska, J Xavier; Cantalupo, Sebastiano; Arrigoni-Battaia, Fabrizio

2015-05-15

All galaxies once passed through a hyperluminous quasar phase powered by accretion onto a supermassive black hole. But because these episodes are brief, quasars are rare objects typically separated by cosmological distances. In a survey for Lyman-α emission at redshift z ≈ 2, we discovered a physical association of four quasars embedded in a giant nebula. Located within a substantial overdensity of galaxies, this system is probably the progenitor of a massive galaxy cluster. The chance probability of finding a quadruple quasar is estimated to be ∼10(-7), implying a physical connection between Lyman-α nebulae and the locations of rare protoclusters. Our findings imply that the most massive structures in the distant universe have a tremendous supply (≃10(11) solar masses) of cool dense (volume density ≃ 1 cm(-3)) gas, which is in conflict with current cosmological simulations. Copyright © 2015, American Association for the Advancement of Science.

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.

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.

Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

NASA Astrophysics Data System (ADS)

Janesko, Benjamin G.

2018-02-01

Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

Silver nanoparticles as a key feature of a plasma polymer composite layer in mitigation of charge injection into polyethylene under dc stress

NASA Astrophysics Data System (ADS)

Milliere, L.; Maskasheva, K.; Laurent, C.; Despax, B.; Boudou, L.; Teyssedre, G.

2016-01-01

The aim of this work is to limit charge injection from a semi-conducting electrode into low density polyethylene (LDPE) under dc field by tailoring the polymer surface using a silver nanoparticles-containing layer. The layer is composed of a plane of silver nanoparticles embedded in a semi-insulating organosilicon matrix deposited on the polyethylene surface by a plasma process. Size, density and surface coverage of the nanoparticles are controlled through the plasma process. Space charge distribution in 300 μm thick LDPE samples is measured by the pulsed-electroacoustic technique following a short term (step-wise voltage increase up to 50 kV mm-1, 20 min in duration each, followed by a polarity inversion) and a longer term (up to 12 h under 40 kV mm-1) protocols for voltage application. A comparative study of space charge distribution between a reference polyethylene sample and the tailored samples is presented. It is shown that the barrier effect depends on the size distribution and the surface area covered by the nanoparticles: 15 nm (average size) silver nanoparticles with a high surface density but still not percolating form an efficient barrier layer that suppress charge injection. It is worthy to note that charge injection is detected for samples tailored with (i) percolating nanoparticles embedded in organosilicon layer; (ii) with organosilicon layer only, without nanoparticles and (iii) with smaller size silver particles (<10 nm) embedded in organosilicon layer. The amount of injected charges in the tailored samples increases gradually in the samples ranking given above. The mechanism of charge injection mitigation is discussed on the basis of complementary experiments carried out on the nanocomposite layer such as surface potential measurements. The ability of silver clusters to stabilize electrical charges close to the electrode thereby counterbalancing the applied field appears to be a key factor in explaining the charge injection mitigation effect.

Porosity of an Anhydrous Chondritic Interplanetary Dust Particle

NASA Astrophysics Data System (ADS)

Strait, M. M.; Thomas, K. L.; McKay, D. S.

1995-09-01

Determination of the density and porosity of Interplanetary Dust Particles (IDPs) is important in the dynamics of collisional and orbital evolution of small-sized particles. These measurements are also useful to suggest possible sources for IDPs based on comparisons with known extraterrestrial materials (e.g., chondrites). Previous work on IDPs shows a wide range of densities from very low (0.08 g/cm3 [1]) through low (0.3 g/cm3 [2]) to high (6.2 g/cm3 [3]), with an average density at 2.0 g/cm3 for 150 particles [2]. In another study, IDPs fall into two distinct density groups with mean values of 0.6 g/cm3 and 1.9g/cm3 [3]. In general, chondritic IDPs with lower density values most likely have appreciable porosity, suggesting they are primitive, uncompacted particles. It is believed that porosities greater than 70% are rare [2]. Sample In this study, porosity measurements were determined for one IDP, Clu17. This chondritic particle is a fragment of a large-sized IDP (L2008#5) known as a cluster particle. The cluster is composed of 53 fragments >5 micrometers in diameter; a detailed description of the cluster is given in [4]. IDP Clu17 has ~12 wt.% C and contains chondritic abundances (within 2xCI) for major elements. This fragment is dominated by fine-grained aggregates, also known as GEMS (glass with embedded metal and sulfide [5]), and contains some olivine, pyroxene, Fe-Ni sulfides, and carbonaceous material. Methods IDP Clu17 was analyzed for light elements quantitatively analysis using scanning electron microscopy and thin-window energy dispersive spectrometry [details of technique in 4]. Following the initial bulk chemical analysis, the particle was embedded in epoxy, thin sectioned using an ultramicrotome, and examined with a JEOL 2000 FX transmission electron microscope. Many of the sections were not complete; individual grains in some sections are lost during microtoming. Photos from nine of the best sections were digitized by scanning at 1200 dpi. The images were cropped and reduced in size to fit the memory capabilities of the computer analysis program. The digitized images were measured using NIH Image on a Macintosh computer. Results Using a combination of tools, including density slicing, area selection and a graphics tablet, to measure porosity, the sections give values from 9 to 15% porosity. There are a variety of errors that can enter into the measurement process: (1) defining exterior surface boundaries, which can vary between sections, (2) presence of holes in the sections where grains fell out during microtoming, and (3) differentiation between the mounting medium (epoxy) and extraterrestrial components (carbonaceous material can look similar to epoxy). As noted in earlier work [6], image processing is somewhat subjective and requires careful judgment in setting the conditions for electron microscopy and digital scanning. Conclusions Typical published anhydrous IDP porosities are in the 40% range [2], a value significantly higher than the 9-15% porosity range for IDP Clu17. The porosity values for cluster particles may be more difficult to determine because both the inter- and intra-fragment porosities must be considered. The inter-fragment porosity of ~10% for Clu17 is probably much lower than the intra-fragment porosity for cluster L2008#5 because this IDP remained intact on the collection surface while the cluster particle was fragmented into hundreds of smaller units, likely reflecting an high initial cluster porosity and low coherence. We conclude that image analysis combined with microtome sectioning offers a useful new tool for porosity measurements of IDPs and other kinds of extraterrestrial materials. Acknowledgments: This work was supported by NASA/JOVE Grant #NAG8-999. References: [1] Rietmeijer F. (1993) EPSL, 117, 609. [2] Love S. et al. (1994) Icarus, 111, 227. [3] Flynn G. and Sutton S. (1991) Proc. LPS, Vol. 21, 541. [4] Thomas K. et al. (1995) GCA, in press. [5] Bradley J. (1994) Science, 265, 925. [6] Strait M. et. al. (1994) Meteoritics, 29, 537.

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.

Stable dissipative optical vortex clusters by inhomogeneous effective diffusion.

PubMed

Li, Huishan; Lai, Shiquan; Qui, Yunli; Zhu, Xing; Xie, Jianing; Mihalache, Dumitru; He, Yingji

2017-10-30

We numerically show the generation of robust vortex clusters embedded in a two-dimensional beam propagating in a dissipative medium described by the generic cubic-quintic complex Ginzburg-Landau equation with an inhomogeneous effective diffusion term, which is asymmetrical in the two transverse directions and periodically modulated in the longitudinal direction. We show the generation of stable optical vortex clusters for different values of the winding number (topological charge) of the input optical beam. We have found that the number of individual vortex solitons that form the robust vortex cluster is equal to the winding number of the input beam. We have obtained the relationships between the amplitudes and oscillation periods of the inhomogeneous effective diffusion and the cubic gain and diffusion (viscosity) parameters, which depict the regions of existence and stability of vortex clusters. The obtained results offer a method to form robust vortex clusters embedded in two-dimensional optical beams, and we envisage potential applications in the area of structured light.

SOTXTSTREAM: Density-based self-organizing clustering of text streams.

PubMed

Bryant, Avory C; Cios, Krzysztof J

2017-01-01

A streaming data clustering algorithm is presented building upon the density-based self-organizing stream clustering algorithm SOSTREAM. Many density-based clustering algorithms are limited by their inability to identify clusters with heterogeneous density. SOSTREAM addresses this limitation through the use of local (nearest neighbor-based) density determinations. Additionally, many stream clustering algorithms use a two-phase clustering approach. In the first phase, a micro-clustering solution is maintained online, while in the second phase, the micro-clustering solution is clustered offline to produce a macro solution. By performing self-organization techniques on micro-clusters in the online phase, SOSTREAM is able to maintain a macro clustering solution in a single phase. Leveraging concepts from SOSTREAM, a new density-based self-organizing text stream clustering algorithm, SOTXTSTREAM, is presented that addresses several shortcomings of SOSTREAM. Gains in clustering performance of this new algorithm are demonstrated on several real-world text stream datasets.

X-Ray Properties of Low-mass Pre-main Sequence Stars in the Orion Trapezium Cluster

NASA Astrophysics Data System (ADS)

Schulz, Norbert S.; Huenemoerder, David P.; Günther, Moritz; Testa, Paola; Canizares, Claude R.

2015-09-01

The Chandra HETG Orion Legacy Project (HOLP) is the first comprehensive set of observations of a very young massive stellar cluster that provides high-resolution X-ray spectra of very young stars over a wide mass range (0.7-2.3 {M}⊙ ). In this paper, we focus on the six brightest X-ray sources with T Tauri stellar counterparts that are well-characterized at optical and infrared wavelengths. All stars show column densities which are substantially smaller than expected from optical extinction, indicating that the sources are located on the near side of the cluster with respect to the observer as well as that these stars are embedded in more dusty environments. Stellar X-ray luminosities are well above 1031 erg s-1, in some cases exceeding 1032 erg s-1 for a substantial amount of time. The stars during these observations show no flares but are persistently bright. The spectra can be well fit with two temperature plasma components of 10 MK and 40 MK, of which the latter dominates the flux by a ratio 6:1 on average. The total emission measures range between 3-8 × 1054 cm-3 and are comparable to active coronal sources. The fits to the Ne ix He-Like K-shell lines indicate forbidden to inter-combination line ratios consistent with the low-density limit. Observed abundances compare well with active coronal sources underlying the coronal nature of these sources. The surface flux in this sample of 0.6-2.3 {M}⊙ classical T Tauri stars shows that coronal activity increases significantly between ages 0.1 and 10 Myr. The results demonstrate the power of X-ray line diagnostics to study coronal properties of T Tauri stars in young stellar clusters.

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.

Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure

NASA Astrophysics Data System (ADS)

Culpitt, Tanner; Brorsen, Kurt R.; Hammes-Schiffer, Sharon

2017-06-01

Density functional theory (DFT) embedding approaches have generated considerable interest in the field of computational chemistry because they enable calculations on larger systems by treating subsystems at different levels of theory. To circumvent the calculation of the non-additive kinetic potential, various projector methods have been developed to ensure the orthogonality of molecular orbitals between subsystems. Herein the orthogonality constrained basis set expansion (OCBSE) procedure is implemented to enforce this subsystem orbital orthogonality without requiring a level shifting parameter. This scheme is a simple alternative to existing parameter-free projector-based schemes, such as the Huzinaga equation. The main advantage of the OCBSE procedure is that excellent convergence behavior is attained for DFT-in-DFT embedding without freezing any of the subsystem densities. For the three chemical systems studied, the level of accuracy is comparable to or higher than that obtained with the Huzinaga scheme with frozen subsystem densities. Allowing both the high-level and low-level DFT densities to respond to each other during DFT-in-DFT embedding calculations provides more flexibility and renders this approach more generally applicable to chemical systems. It could also be useful for future extensions to embedding approaches combining wavefunction theories and DFT.

The Gaia-ESO Survey: Structural and dynamical properties of the young cluster Chamaeleon I

NASA Astrophysics Data System (ADS)

Sacco, G. G.; Spina, L.; Randich, S.; Palla, F.; Parker, R. J.; Jeffries, R. D.; Jackson, R.; Meyer, M. R.; Mapelli, M.; Lanzafame, A. C.; Bonito, R.; Damiani, F.; Franciosini, E.; Frasca, A.; Klutsch, A.; Prisinzano, L.; Tognelli, E.; Degl'Innocenti, S.; Prada Moroni, P. G.; Alfaro, E. J.; Micela, G.; Prusti, T.; Barrado, D.; Biazzo, K.; Bouy, H.; Bravi, L.; Lopez-Santiago, J.; Wright, N. J.; Bayo, A.; Gilmore, G.; Bragaglia, A.; Flaccomio, E.; Koposov, S. E.; Pancino, E.; Casey, A. R.; Costado, M. T.; Donati, P.; Hourihane, A.; Jofré, P.; Lardo, C.; Lewis, J.; Magrini, L.; Monaco, L.; Morbidelli, L.; Sousa, S. G.; Worley, C. C.; Zaggia, S.

2017-05-01

Investigating the physical mechanisms driving the dynamical evolution of young star clusters is fundamental to our understanding of the star formation process and the properties of the Galactic field stars. The young ( 2 Myr) and partially embedded cluster Chamaeleon I is one of the closest laboratories for the study of the early stages of star cluster dynamics in a low-density environment. The aim of this work is to study the structural and kinematical properties of this cluster combining parameters from the high-resolution spectroscopic observations of the Gaia-ESO Survey with data from the literature. Our main result is the evidence of a large discrepancy between the velocity dispersion (σstars = 1.14 ± 0.35 km s-1) of the stellar population and the dispersion of the pre-stellar cores ( 0.3 km s-1) derived from submillimeter observations. The origin of this discrepancy, which has been observed in other young star clusters, is not clear. It has been suggested that it may be due to either the effect of the magnetic field on the protostars and the filaments or to the dynamical evolution of stars driven by two-body interactions. Furthermore, the analysis of the kinematic properties of the stellar population puts in evidence a significant velocity shift ( 1 km s-1) between the two subclusters located around the north and south main clouds of the cluster. This result further supports a scenario where clusters form from the evolution of multiple substructures rather than from a monolithic collapse. Using three independent spectroscopic indicators (the gravity indicator γ, the equivalent width of the Li line at 6708 Å, and the Hα 10% width), we performed a new membership selection. We found six new cluster members all located in the outer region of the cluster, proving that Chamaeleon I is probably more extended than previously thought. Starting from the positions and masses of the cluster members, we derived the level of substructure Q, the surface density Σ, and the level of mass segregation ΛMSR of the cluster. The comparison between these structural properties and the results of N-body simulations suggests that the cluster formed in a low-density environment, in virial equilibrium or a supervirial state, and highly substructured. This work is one of the last ones carried out with the help and support of our friend and colleague Francesco Palla, who passed away on 26 January 2016.Full Tables 1 and 2 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/A97Based on observations made with the ESO/VLT, at Paranal Observatory, under program 188.B-3002 (The Gaia-ESO Public Spectroscopic Survey).

Resurrecting hot dark matter - Large-scale structure from cosmic strings and massive neutrinos

NASA Technical Reports Server (NTRS)

Scherrer, Robert J.

1988-01-01

These are the results of a numerical simulation of the formation of large-scale structure from cosmic-string loops in a universe dominated by massive neutrinos (hot dark matter). This model has several desirable features. The final matter distribution contains isolated density peaks embedded in a smooth background, producing a natural bias in the distribution of luminous matter. Because baryons can accrete onto the cosmic strings before the neutrinos, the galaxies will have baryon cores and dark neutrino halos. Galaxy formation in this model begins much earlier than in random-phase models. On large scales the distribution of clustered matter visually resembles the CfA survey, with large voids and filaments.

Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153.

PubMed

Shedge, Sapana V; Zhou, Xiuwen; Wesolowski, Tomasz A

2014-09-01

Recent application of the Frozen-Density Embedding Theory based continuum model of the solvent, which is used for calculating solvatochromic shifts in the UV/Vis range, are reviewed. In this model, the solvent is represented as a non-uniform continuum taking into account both the statistical nature of the solvent and specific solute-solvent interactions. It offers, therefore, a computationally attractive alternative to methods in which the solvent is described at atomistic level. The evaluation of the solvatochromic shift involves only two calculations of excitation energy instead of at least hundreds needed to account for inhomogeneous broadening. The present review provides a detailed graphical analysis of the key quantities of this model: the average charge density of the solvent (<ρB>) and the corresponding Frozen-Density Embedding Theory derived embedding potential for coumarin 153.

Theoretical study of cathode surfaces and high-temperature superconductors

NASA Technical Reports Server (NTRS)

Mueller, Wolfgang

1995-01-01

Calculations are presented for the work functions of BaO on W, Os, Pt, and alloys of Re-W, Os-W, and Ir-W that are in excellent agreement with experiment. The observed emission enhancement for alloy relative to tungsten dispenser cathodes is attributed to properties of the substrate crystal structure and explained by the smaller depolarization of the surface dipole on hexagonal as compared to cubic substrates. For Ba and BaO on W(100), the geometry of the adsorbates has been determined by a comparison of inverse photoemission spectra with calculated densities of unoccupied states based on the fully relativistic embedded cluster approach. Results are also discussed for models of scandate cathodes and the electronic structure of oxygen on W(100) at room and elevated temperatures. A detailed comparison is made for the surface electronic structure of the high-temperature superconductor YBa2Cu3O7 as obtained with non-, quasi-, and fully relativistic cluster calculations.

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.

Self-assembling of impurity clusters in AlN:(Ga, BV, CV), (BV, CV = P, As; P, Sb; As, Sb)

NASA Astrophysics Data System (ADS)

Elyukhin, V. A.

2015-11-01

The self-assembling conditions of arrays of tetrahedral impurity clusters of two types in zinc blende AlN:(Ga, BV, CV), (BV, CV = P, As; P, Sb; As, Sb) are represented. Doping with one cation and two anion isoelectronic impurities transforms AlN into AlN-rich GaxAl1-xBVyCVzN1-y-z alloy of GaBV, GaCV, GaN, AlBV, AlCV and AlN. The cause of self-assembling is the preference of GaBV, GaCV and AlN bonding over that of GaN, AlBV, AlCV. The conditions are considered from 0 °C to 1000 °C in the dilute and ultra dilute limits for the cation and anion impurities, correspondingly. The temperature ranges between the cluster occurrence and self-assembling completion when the same anion impurities are in clusters are very small. 1P4Ga and 1As4Ga cluster occurrence temperatures are equal, correspondingly, to 797 °C and 736 °C at Ga content 2% and P and As contents 0.01%. 1P4Ga and 1Sb4Ga cluster occurrence temperatures are equal, correspondingly, to 976 °C and 736 °C at the same impurity contents. The cluster densities in AlN:(Ga, As, Sb) are close to those in AlN:(Ga, P, Sb). The results demonstrate that studied semiconductors are promising materials to produce arrays of identical ∼1 nm low band gap objects of two types embedded in the wide band gap matrix.

Chandra and JVLA Observations of HST Frontier Fields Cluster MACS J0717.5+3745

DOE PAGES

van Weeren, R. J.; Ogrean, G. A.; Jones, C.; ...

2017-01-31

To investigate the relationship between thermal and non-thermal components in merger galaxy clusters, we present deep JVLA and Chandra observations of the HST Frontier Fields cluster MACS J0717.5+3745. The Chandra image shows a complex merger event, with at least four components belonging to different merging subclusters. Northwest of the cluster, ~0.7 Mpc from the center, there is a ram-pressure-stripped core that appears to have traversed the densest parts of the cluster after entering the intracluster medium (ICM) from the direction of a galaxy filament to the southeast. Here, we detect a density discontinuity north-northeast of this core, which we speculatemore » is associated with a cold front. Our radio images reveal new details for the complex radio relic and radio halo in this cluster. In addition, we discover several new filamentary radio sources with sizes of 100–300 kpc. A few of these seem to be connected to the main radio relic, while others are either embedded within the radio halo or projected onto it. A narrow-angled-tailed (NAT) radio galaxy, a cluster member, is located at the center of the radio relic. The steep spectrum tails of this active galactic nucleus lead into the large radio relic where the radio spectrum flattens again. This morphological connection between the NAT radio galaxy and relic provides evidence for re-acceleration (revival) of fossil electrons. The presence of hot ≳20 keV ICM gas detected by Chandra near the relic location provides additional support for this re-acceleration scenario.« less

Chandra and JVLA Observations of HST Frontier Fields Cluster MACS J0717.5+3745

NASA Astrophysics Data System (ADS)

van Weeren, R. J.; Ogrean, G. A.; Jones, C.; Forman, W. R.; Andrade-Santos, F.; Pearce, Connor J. J.; Bonafede, A.; Brüggen, M.; Bulbul, E.; Clarke, T. E.; Churazov, E.; David, L.; Dawson, W. A.; Donahue, M.; Goulding, A.; Kraft, R. P.; Mason, B.; Merten, J.; Mroczkowski, T.; Nulsen, P. E. J.; Rosati, P.; Roediger, E.; Randall, S. W.; Sayers, J.; Umetsu, K.; Vikhlinin, A.; Zitrin, A.

2017-02-01

To investigate the relationship between thermal and non-thermal components in merger galaxy clusters, we present deep JVLA and Chandra observations of the HST Frontier Fields cluster MACS J0717.5+3745. The Chandra image shows a complex merger event, with at least four components belonging to different merging subclusters. Northwest of the cluster, ˜0.7 Mpc from the center, there is a ram-pressure-stripped core that appears to have traversed the densest parts of the cluster after entering the intracluster medium (ICM) from the direction of a galaxy filament to the southeast. We detect a density discontinuity north-northeast of this core, which we speculate is associated with a cold front. Our radio images reveal new details for the complex radio relic and radio halo in this cluster. In addition, we discover several new filamentary radio sources with sizes of 100-300 kpc. A few of these seem to be connected to the main radio relic, while others are either embedded within the radio halo or projected onto it. A narrow-angled-tailed (NAT) radio galaxy, a cluster member, is located at the center of the radio relic. The steep spectrum tails of this active galactic nucleus lead into the large radio relic where the radio spectrum flattens again. This morphological connection between the NAT radio galaxy and relic provides evidence for re-acceleration (revival) of fossil electrons. The presence of hot ≳20 keV ICM gas detected by Chandra near the relic location provides additional support for this re-acceleration scenario.

Chandra and JVLA Observations of HST Frontier Fields Cluster MACS J0717.5+3745

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

Van Weeren, R. J.; Jones, C.; Forman, W. R.

To investigate the relationship between thermal and non-thermal components in merger galaxy clusters, we present deep JVLA and Chandra observations of the HST Frontier Fields cluster MACS J0717.5+3745. The Chandra image shows a complex merger event, with at least four components belonging to different merging subclusters. Northwest of the cluster, ∼0.7 Mpc from the center, there is a ram-pressure-stripped core that appears to have traversed the densest parts of the cluster after entering the intracluster medium (ICM) from the direction of a galaxy filament to the southeast. We detect a density discontinuity north-northeast of this core, which we speculate ismore » associated with a cold front. Our radio images reveal new details for the complex radio relic and radio halo in this cluster. In addition, we discover several new filamentary radio sources with sizes of 100–300 kpc. A few of these seem to be connected to the main radio relic, while others are either embedded within the radio halo or projected onto it. A narrow-angled-tailed (NAT) radio galaxy, a cluster member, is located at the center of the radio relic. The steep spectrum tails of this active galactic nucleus lead into the large radio relic where the radio spectrum flattens again. This morphological connection between the NAT radio galaxy and relic provides evidence for re-acceleration (revival) of fossil electrons. The presence of hot ≳20 keV ICM gas detected by Chandra near the relic location provides additional support for this re-acceleration scenario.« less

Chandra and JVLA Observations of HST Frontier Fields Cluster MACS J0717.5+3745

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

van Weeren, R. J.; Ogrean, G. A.; Jones, C.

To investigate the relationship between thermal and non-thermal components in merger galaxy clusters, we present deep JVLA and Chandra observations of the HST Frontier Fields cluster MACS J0717.5+3745. The Chandra image shows a complex merger event, with at least four components belonging to different merging subclusters. Northwest of the cluster, ~0.7 Mpc from the center, there is a ram-pressure-stripped core that appears to have traversed the densest parts of the cluster after entering the intracluster medium (ICM) from the direction of a galaxy filament to the southeast. Here, we detect a density discontinuity north-northeast of this core, which we speculatemore » is associated with a cold front. Our radio images reveal new details for the complex radio relic and radio halo in this cluster. In addition, we discover several new filamentary radio sources with sizes of 100–300 kpc. A few of these seem to be connected to the main radio relic, while others are either embedded within the radio halo or projected onto it. A narrow-angled-tailed (NAT) radio galaxy, a cluster member, is located at the center of the radio relic. The steep spectrum tails of this active galactic nucleus lead into the large radio relic where the radio spectrum flattens again. This morphological connection between the NAT radio galaxy and relic provides evidence for re-acceleration (revival) of fossil electrons. The presence of hot ≳20 keV ICM gas detected by Chandra near the relic location provides additional support for this re-acceleration scenario.« less

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.

a Probabilistic Embedding Clustering Method for Urban Structure Detection

NASA Astrophysics Data System (ADS)

Lin, X.; Li, H.; Zhang, Y.; Gao, L.; Zhao, L.; Deng, M.

2017-09-01

Urban structure detection is a basic task in urban geography. Clustering is a core technology to detect the patterns of urban spatial structure, urban functional region, and so on. In big data era, diverse urban sensing datasets recording information like human behaviour and human social activity, suffer from complexity in high dimension and high noise. And unfortunately, the state-of-the-art clustering methods does not handle the problem with high dimension and high noise issues concurrently. In this paper, a probabilistic embedding clustering method is proposed. Firstly, we come up with a Probabilistic Embedding Model (PEM) to find latent features from high dimensional urban sensing data by "learning" via probabilistic model. By latent features, we could catch essential features hidden in high dimensional data known as patterns; with the probabilistic model, we can also reduce uncertainty caused by high noise. Secondly, through tuning the parameters, our model could discover two kinds of urban structure, the homophily and structural equivalence, which means communities with intensive interaction or in the same roles in urban structure. We evaluated the performance of our model by conducting experiments on real-world data and experiments with real data in Shanghai (China) proved that our method could discover two kinds of urban structure, the homophily and structural equivalence, which means clustering community with intensive interaction or under the same roles in urban space.

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.

Dynamic kinetic energy potential for orbital-free density functional theory.

PubMed

Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima; Zhang, Xu; Lu, Gang

2011-04-14

A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na(9)(+) and Na(65)(+) clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT.

Impact of Sampling Density on the Extent of HIV Clustering

PubMed Central

Novitsky, Vlad; Moyo, Sikhulile; Lei, Quanhong; DeGruttola, Victor

2014-01-01

Abstract Identifying and monitoring HIV clusters could be useful in tracking the leading edge of HIV transmission in epidemics. Currently, greater specificity in the definition of HIV clusters is needed to reduce confusion in the interpretation of HIV clustering results. We address sampling density as one of the key aspects of HIV cluster analysis. The proportion of viral sequences in clusters was estimated at sampling densities from 1.0% to 70%. A set of 1,248 HIV-1C env gp120 V1C5 sequences from a single community in Botswana was utilized in simulation studies. Matching numbers of HIV-1C V1C5 sequences from the LANL HIV Database were used as comparators. HIV clusters were identified by phylogenetic inference under bootstrapped maximum likelihood and pairwise distance cut-offs. Sampling density below 10% was associated with stochastic HIV clustering with broad confidence intervals. HIV clustering increased linearly at sampling density >10%, and was accompanied by narrowing confidence intervals. Patterns of HIV clustering were similar at bootstrap thresholds 0.7 to 1.0, but the extent of HIV clustering decreased with higher bootstrap thresholds. The origin of sampling (local concentrated vs. scattered global) had a substantial impact on HIV clustering at sampling densities ≥10%. Pairwise distances at 10% were estimated as a threshold for cluster analysis of HIV-1 V1C5 sequences. The node bootstrap support distribution provided additional evidence for 10% sampling density as the threshold for HIV cluster analysis. The detectability of HIV clusters is substantially affected by sampling density. A minimal genotyping density of 10% and sampling density of 50–70% are suggested for HIV-1 V1C5 cluster analysis. PMID:25275430

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.

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.

Site-occupation embedding theory using Bethe ansatz local density approximations

NASA Astrophysics Data System (ADS)

Senjean, Bruno; Nakatani, Naoki; Tsuchiizu, Masahisa; Fromager, Emmanuel

2018-06-01

Site-occupation embedding theory (SOET) is an alternative formulation of density functional theory (DFT) for model Hamiltonians where the fully interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting (rather than a noninteracting) one. It provides a rigorous framework for combining wave-function (or Green function)-based methods with DFT. In this work, exact expressions for the per-site energy and double occupation of the uniform Hubbard model are derived in the context of SOET. As readily seen from these derivations, the so-called bath contribution to the per-site correlation energy is, in addition to the latter, the key density functional quantity to model in SOET. Various approximations based on Bethe ansatz and perturbative solutions to the Hubbard and single-impurity Anderson models are constructed and tested on a one-dimensional ring. The self-consistent calculation of the embedded impurity wave function has been performed with the density-matrix renormalization group method. It has been shown that promising results are obtained in specific regimes of correlation and density. Possible further developments have been proposed in order to provide reliable embedding functionals and potentials.

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.

The sparkling Universe: clustering of voids and void clumps

NASA Astrophysics Data System (ADS)

Lares, Marcelo; Ruiz, Andrés N.; Luparello, Heliana E.; Ceccarelli, Laura; Garcia Lambas, Diego; Paz, Dante J.

2017-07-01

We analyse the clustering of cosmic voids using a numerical simulation and the main galaxy sample from the Sloan Digital Sky Survey. We take into account the classification of voids into two types that resemble different evolutionary modes: those with a rising integrated density profile (void-in-void mode or R-type) and voids with shells (void-in-cloud mode or S-type). The results show that voids of the same type have stronger clustering than the full sample. We use the correlation analysis to define void clumps, associations with at least two voids separated by a distance of at most the mean void separation. In order to study the spatial configuration of void clumps, we compute the minimal spanning tree and analyse their multiplicity, maximum length and elongation parameter. We further study the dynamics of the smaller sphere that enclose all the voids in each clump. Although the global densities of void clumps are different according to their member-void types, the bulk motions of these spheres are remarkably lower than those of randomly placed spheres with the same radius distribution. In addition, the coherence of pairwise void motions does not strongly depend on whether voids belong to the same clump. Void clumps are useful to analyse the large-scale flows around voids, since voids embedded in large underdense regions are mostly in the void-in-void regime, where the expansion of the larger region produces the separation of voids. Similarly, voids around overdense regions form clumps that are in collapse, as reflected in the relative velocities of voids that are mostly approaching.

Improving hot region prediction by parameter optimization of density clustering in PPI.

PubMed

Hu, Jing; Zhang, Xiaolong

2016-11-01

This paper proposed an optimized algorithm which combines density clustering of parameter selection with feature-based classification for hot region prediction. First, all the residues are classified by SVM to remove non-hot spot residues, then density clustering of parameter selection is used to find hot regions. In the density clustering, this paper studies how to select input parameters. There are two parameters radius and density in density-based incremental clustering. We firstly fix density and enumerate radius to find a pair of parameters which leads to maximum number of clusters, and then we fix radius and enumerate density to find another pair of parameters which leads to maximum number of clusters. Experiment results show that the proposed method using both two pairs of parameters provides better prediction performance than the other method, and compare these two predictive results, the result by fixing radius and enumerating density have slightly higher prediction accuracy than that by fixing density and enumerating radius. Copyright © 2016. Published by Elsevier Inc.

Impact of laser power density on tribological properties of Pulsed Laser Deposited DLC films

NASA Astrophysics Data System (ADS)

Gayathri, S.; Kumar, N.; Krishnan, R.; AmirthaPandian, S.; Ravindran, T. R.; Dash, S.; Tyagi, A. K.; Sridharan, M.

2013-12-01

Fabrication of wear resistant and low friction carbon films on the engineered substrates is considered as a challenging task for expanding the applications of diamond-like carbon (DLC) films. In this paper, pulsed laser deposition (PLD) technique is used to deposit DLC films on two different types of technologically important class of substrates such as silicon and AISI 304 stainless steel. Laser power density is one of the important parameter used to tailor the fraction of sp2 bonded amorphous carbon (a-C) and tetrahedral amorphous carbon (ta-C) made by sp3 domain in the DLC film. The I(D)/I(G) ratio decreases with the increasing laser power density which is associated with decrease in fraction of a-C/ta-C ratio. The fraction of these chemical components is quantitatively analyzed by EELS which is well supported to the data obtained from the Raman spectroscopy. Tribological properties of the DLC are associated with chemical structure of the film. However, the super low value of friction coefficient 0.003 is obtained when the film is predominantly constituted by a-C and sp2 fraction which is embedded within the clusters of ta-C. Such a particular film with super low friction coefficient is measured while it was deposited on steel at low laser power density of 2 GW/cm2. The super low friction mechanism is explained by low sliding resistance of a-C/sp2 and ta-C clusters. Combination of excellent physical and mechanical properties of wear resistance and super low friction coefficient of DLC films is desirable for engineering applications. Moreover, the high friction coefficient of DLC films deposited at 9GW/cm2 is related to widening of the intergrain distance caused by transformation from sp2 to sp3 hybridized structure.

densityCut: an efficient and versatile topological approach for automatic clustering of biological data

PubMed Central

Ding, Jiarui; Shah, Sohrab; Condon, Anne

2016-01-01

Motivation: Many biological data processing problems can be formalized as clustering problems to partition data points into sensible and biologically interpretable groups. Results: This article introduces densityCut, a novel density-based clustering algorithm, which is both time- and space-efficient and proceeds as follows: densityCut first roughly estimates the densities of data points from a K-nearest neighbour graph and then refines the densities via a random walk. A cluster consists of points falling into the basin of attraction of an estimated mode of the underlining density function. A post-processing step merges clusters and generates a hierarchical cluster tree. The number of clusters is selected from the most stable clustering in the hierarchical cluster tree. Experimental results on ten synthetic benchmark datasets and two microarray gene expression datasets demonstrate that densityCut performs better than state-of-the-art algorithms for clustering biological datasets. For applications, we focus on the recent cancer mutation clustering and single cell data analyses, namely to cluster variant allele frequencies of somatic mutations to reveal clonal architectures of individual tumours, to cluster single-cell gene expression data to uncover cell population compositions, and to cluster single-cell mass cytometry data to detect communities of cells of the same functional states or types. densityCut performs better than competing algorithms and is scalable to large datasets. Availability and Implementation: Data and the densityCut R package is available from https://bitbucket.org/jerry00/densitycut_dev. Contact: condon@cs.ubc.ca or sshah@bccrc.ca or jiaruid@cs.ubc.ca Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27153661

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.

Cluster structure of anaerobic aggregates of an expanded granular sludge bed reactor.

PubMed

Gonzalez-Gil, G; Lens, P N; Van Aelst, A; Van As, H; Versprille, A I; Lettinga, G

2001-08-01

The metabolic properties and ultrastructure of mesophilic aggregates from a full-scale expanded granular sludge bed reactor treating brewery wastewater are described. The aggregates had a very high methanogenic activity on acetate (17.19 mmol of CH(4)/g of volatile suspended solids [VSS].day or 1.1 g of CH(4) chemical oxygen demand/g of VSS.day). Fluorescent in situ hybridization using 16S rRNA probes of crushed granules showed that 70 and 30% of the cells belonged to the archaebacterial and eubacterial domains, respectively. The spherical aggregates were black but contained numerous whitish spots on their surfaces. Cross-sectioning these aggregates revealed that the white spots appeared to be white clusters embedded in a black matrix. The white clusters were found to develop simultaneously with the increase in diameter. Energy-dispersed X-ray analysis and back-scattered electron microscopy showed that the whitish clusters contained mainly organic matter and no inorganic calcium precipitates. The white clusters had a higher density than the black matrix, as evidenced by the denser cell arrangement observed by high-magnification electron microscopy and the significantly higher effective diffusion coefficient determined by nuclear magnetic resonance imaging. High-magnification electron microscopy indicated a segregation of acetate-utilizing methanogens (Methanosaeta spp.) in the white clusters from syntrophic species and hydrogenotrophic methanogens (Methanobacterium-like and Methanospirillum-like organisms) in the black matrix. A number of physical and microbial ecology reasons for the observed structure are proposed, including the advantage of segregation for high-rate degradation of syntrophic substrates.

Cluster Structure of Anaerobic Aggregates of an Expanded Granular Sludge Bed Reactor

PubMed Central

Gonzalez-Gil, G.; Lens, P. N. L.; Van Aelst, A.; Van As, H.; Versprille, A. I.; Lettinga, G.

2001-01-01

The metabolic properties and ultrastructure of mesophilic aggregates from a full-scale expanded granular sludge bed reactor treating brewery wastewater are described. The aggregates had a very high methanogenic activity on acetate (17.19 mmol of CH4/g of volatile suspended solids [VSS]·day or 1.1 g of CH4 chemical oxygen demand/g of VSS·day). Fluorescent in situ hybridization using 16S rRNA probes of crushed granules showed that 70 and 30% of the cells belonged to the archaebacterial and eubacterial domains, respectively. The spherical aggregates were black but contained numerous whitish spots on their surfaces. Cross-sectioning these aggregates revealed that the white spots appeared to be white clusters embedded in a black matrix. The white clusters were found to develop simultaneously with the increase in diameter. Energy-dispersed X-ray analysis and back-scattered electron microscopy showed that the whitish clusters contained mainly organic matter and no inorganic calcium precipitates. The white clusters had a higher density than the black matrix, as evidenced by the denser cell arrangement observed by high-magnification electron microscopy and the significantly higher effective diffusion coefficient determined by nuclear magnetic resonance imaging. High-magnification electron microscopy indicated a segregation of acetate-utilizing methanogens (Methanosaeta spp.) in the white clusters from syntrophic species and hydrogenotrophic methanogens (Methanobacterium-like and Methanospirillum-like organisms) in the black matrix. A number of physical and microbial ecology reasons for the observed structure are proposed, including the advantage of segregation for high-rate degradation of syntrophic substrates. PMID:11472948

Cloud Structure of Galactic OB Cluster-forming Regions from Combining Ground- and Space-based Bolometric Observations

NASA Astrophysics Data System (ADS)

Lin, Yuxin; Liu, Hauyu Baobab; Li, Di; Zhang, Zhi-Yu; Ginsburg, Adam; Pineda, Jaime E.; Qian, Lei; Galván-Madrid, Roberto; McLeod, Anna Faye; Rosolowsky, Erik; Dale, James E.; Immer, Katharina; Koch, Eric; Longmore, Steve; Walker, Daniel; Testi, Leonardo

2016-09-01

We have developed an iterative procedure to systematically combine the millimeter and submillimeter images of OB cluster-forming molecular clouds, which were taken by ground-based (CSO, JCMT, APEX, and IRAM-30 m) and space telescopes (Herschel and Planck). For the seven luminous (L\\gt {10}6 L ⊙) Galactic OB cluster-forming molecular clouds selected for our analyses, namely W49A, W43-Main, W43-South, W33, G10.6-0.4, G10.2-0.3, and G10.3-0.1, we have performed single-component, modified blackbody fits to each pixel of the combined (sub)millimeter images, and the Herschel PACS and SPIRE images at shorter wavelengths. The ˜10″ resolution dust column density and temperature maps of these sources revealed dramatically different morphologies, indicating very different modes of OB cluster-formation, or parent molecular cloud structures in different evolutionary stages. The molecular clouds W49A, W33, and G10.6-0.4 show centrally concentrated massive molecular clumps that are connected with approximately radially orientated molecular gas filaments. The W43-Main and W43-South molecular cloud complexes, which are located at the intersection of the Galactic near 3 kpc (or Scutum) arm and the Galactic bar, show a widely scattered distribution of dense molecular clumps/cores over the observed ˜10 pc spatial scale. The relatively evolved sources G10.2-0.3 and G10.3-0.1 appear to be affected by stellar feedback, and show a complicated cloud morphology embedded with abundant dense molecular clumps/cores. We find that with the high angular resolution we achieved, our visual classification of cloud morphology can be linked to the systematically derived statistical quantities (I.e., the enclosed mass profile, the column density probability distribution function (N-PDF), the two-point correlation function of column density, and the probability distribution function of clump/core separations). In particular, the massive molecular gas clumps located at the center of G10.6-0.4 and W49A, which contribute to a considerable fraction of their overall cloud masses, may be special OB cluster-forming environments as a direct consequence of global cloud collapse. These centralized massive molecular gas clumps also uniquely occupy much higher column densities than what is determined by the overall fit of power-law N-PDF. We have made efforts to archive the derived statistical quantities of individual target sources, to permit comparisons with theoretical frameworks, numerical simulations, and other observations in the future.

Time delay in Swiss cheese gravitational lensing

NASA Astrophysics Data System (ADS)

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

2010-08-01

We compute time delays for gravitational lensing in a flat Λ dominated cold dark matter Swiss cheese universe. We assume a primary and secondary pair of light rays are deflected by a single point mass condensation described by a Kottler metric (Schwarzschild with Λ) embedded in an otherwise homogeneous cosmology. We find that the cosmological constant’s effect on the difference in arrival times is nonlinear and at most around 0.002% for a large cluster lens; however, we find differences from time delays predicted by conventional linear lensing theory that can reach ˜4% for these large lenses. The differences in predicted delay times are due to the failure of conventional lensing to incorporate the lensing mass into the mean mass density of the universe.

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

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

We compute time delays for gravitational lensing in a flat {Lambda} dominated cold dark matter Swiss cheese universe. We assume a primary and secondary pair of light rays are deflected by a single point mass condensation described by a Kottler metric (Schwarzschild with {Lambda}) embedded in an otherwise homogeneous cosmology. We find that the cosmological constant's effect on the difference in arrival times is nonlinear and at most around 0.002% for a large cluster lens; however, we find differences from time delays predicted by conventional linear lensing theory that can reach {approx}4% for these large lenses. The differences in predictedmore » delay times are due to the failure of conventional lensing to incorporate the lensing mass into the mean mass density of the universe.« less

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.

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

Compact groups in theory and practice - IV. The connection to large-scale structure

NASA Astrophysics Data System (ADS)

Mendel, J. Trevor; Ellison, Sara L.; Simard, Luc; Patton, David R.; McConnachie, Alan W.

2011-12-01

We investigate the properties of photometrically selected compact groups (CGs) in the Sloan Digital Sky Survey. In this paper, the fourth in a series, we focus on understanding the characteristics of our observed CG sample with particular attention paid to quantifying and removing contamination from projected foreground or background galaxies. Based on a simple comparison of pairwise redshift likelihoods, we find that approximately half of CGs in the parent sample contain one or more projected (interloping) members; our final clean sample contains 4566 galaxies in 1086 CGs. We show that half of the remaining CGs are associated with rich groups (or clusters), i.e. they are embedded sub-structure. The other half have spatial distributions and number-density profiles consistent with the interpretation that they are either independently distributed structures within the field (i.e. they are isolated) or associated with relatively poor structures. Comparisons of late-type and red-sequence fractions in radial annuli show that galaxies around apparently isolated CGs resemble the field population by 300 to 500 kpc from the group centre. In contrast, the galaxy population surrounding embedded CGs appears to remain distinct from the field out beyond 1 to 2 Mpc, consistent with results for rich groups. We take this as additional evidence that the observed distinction between CGs, i.e. isolated versus embedded, is a separation between different host environments.

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

Huang, Chen, E-mail: chuang3@fsu.edu

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, wemore » introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.« less

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.

Extinction in the Star Cluster SAI 113 and Galactic Structure in Carina

NASA Astrophysics Data System (ADS)

Carraro, Giovanni; Turner, David G.; Majaess, Daniel J.; Baume, Gustavo L.; Gamen, Roberto; Molina Lera, José A.

2017-04-01

Photometric CCD UB VI C photometry obtained for 4860 stars surrounding the embedded southern cluster SAI 113 (Skiff 8) is used to examine the reddening in the field and derive the distance to the cluster and nearby van Genderen 1. Spectroscopic color excesses for bright cluster stars, photometric reddenings for A3 dwarfs, and dereddening of cluster stars imply that the reddening and extinction laws match results derived for other young clusters in Carina: {E}U-B/{E}B-V≃ 0.64 and {R}V≃ 4. SAI 113 displays features that may be linked to a history of dynamical interactions among member stars: possible circumstellar reddening and rapid rotation of late B-type members, ringlike features in star density, and a compact core, with most stars distributed randomly across the field. The group van Genderen 1 resembles a stellar asterism, with potential members distributed randomly across the field. Distances of 3.90 ± 0.19 kpc and 2.49 ± 0.09 kpc are derived for SAI 113 and van Genderen 1, respectively, with variable reddenings {E}B-V ranging from 0.84 to 1.29 and 0.23 to 1.28. The SRC variables CK Car and EV Car may be outlying members of van Genderen 1, thereby of use for calibrating the period-luminosity relation for pulsating M supergiants. More importantly, the anomalous reddening and extinction evident in Carina and nearby regions of the Galactic plane in the fourth quadrant impact the mapping of spiral structure from young open clusters. The distribution of spiral arms in the fourth quadrant may be significantly different from how it is often portrayed.

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

Application of adaptive cluster sampling to low-density populations of freshwater mussels

USGS Publications Warehouse

Smith, D.R.; Villella, R.F.; Lemarie, D.P.

2003-01-01

Freshwater mussels appear to be promising candidates for adaptive cluster sampling because they are benthic macroinvertebrates that cluster spatially and are frequently found at low densities. We applied adaptive cluster sampling to estimate density of freshwater mussels at 24 sites along the Cacapon River, WV, where a preliminary timed search indicated that mussels were present at low density. Adaptive cluster sampling increased yield of individual mussels and detection of uncommon species; however, it did not improve precision of density estimates. Because finding uncommon species, collecting individuals of those species, and estimating their densities are important conservation activities, additional research is warranted on application of adaptive cluster sampling to freshwater mussels. However, at this time we do not recommend routine application of adaptive cluster sampling to freshwater mussel populations. The ultimate, and currently unanswered, question is how to tell when adaptive cluster sampling should be used, i.e., when is a population sufficiently rare and clustered for adaptive cluster sampling to be efficient and practical? A cost-effective procedure needs to be developed to identify biological populations for which adaptive cluster sampling is appropriate.

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.

Flow over gravel beds with clusters

NASA Astrophysics Data System (ADS)

Little, M.; Venditti, J. G.

2014-12-01

The structure of a gravel bed has been shown to alter the entrainment threshold. Structures such as clusters, reticulate stone cells and other discrete structures lock grains together, making it more difficult for them to be mobilized. These structures also generate form drag, reducing the shear stress available for mobilization. Form drag over gravel beds is often assumed to be negligible, but this assumption is not well supported. Here, we explore how cluster density and arrangement affect flow resistance and the flow structure over a fixed gravel bed in a flume experiment. Cluster density was varied from 6 to 68.3 clusters per square meter which corresponds to areal bed coverages of 2 to 17%. We used regular, irregular and random arrangements of the clusters. Our results show that flow resistance over a planar gravel bed initially declines, then increases with flow depth. The addition of clusters increases flow resistance, but the effect is dependent on cluster density, flow depth and arrangement. At the highest density, clusters can increase flow resistance as by as much as 8 times when compared to flat planar bed with no grain-related form drag. Spatially resolved observations of flow over the clusters indicate that a well-defined wake forms in the lee of each cluster. At low cluster density, the wakes are isolated and weak. As cluster density increases, the wakes become stronger. At the highest density, the wakes interact and the within cluster flow field detaches from the overlying flow. This generates a distinct shear layer at the height of the clusters. In spite of this change in the flow field at high density, our results suggest that flow resistance simply increases with cluster density. Our results suggest that the form drag associated with a gravel bed can be substantial and that it depends on the arrangement of the grains on the bed.

A Fast Density-Based Clustering Algorithm for Real-Time Internet of Things Stream

PubMed Central

Ying Wah, Teh

2014-01-01

Data streams are continuously generated over time from Internet of Things (IoT) devices. The faster all of this data is analyzed, its hidden trends and patterns discovered, and new strategies created, the faster action can be taken, creating greater value for organizations. Density-based method is a prominent class in clustering data streams. It has the ability to detect arbitrary shape clusters, to handle outlier, and it does not need the number of clusters in advance. Therefore, density-based clustering algorithm is a proper choice for clustering IoT streams. Recently, several density-based algorithms have been proposed for clustering data streams. However, density-based clustering in limited time is still a challenging issue. In this paper, we propose a density-based clustering algorithm for IoT streams. The method has fast processing time to be applicable in real-time application of IoT devices. Experimental results show that the proposed approach obtains high quality results with low computation time on real and synthetic datasets. PMID:25110753

A fast density-based clustering algorithm for real-time Internet of Things stream.

PubMed

Amini, Amineh; Saboohi, Hadi; Wah, Teh Ying; Herawan, Tutut

2014-01-01

Data streams are continuously generated over time from Internet of Things (IoT) devices. The faster all of this data is analyzed, its hidden trends and patterns discovered, and new strategies created, the faster action can be taken, creating greater value for organizations. Density-based method is a prominent class in clustering data streams. It has the ability to detect arbitrary shape clusters, to handle outlier, and it does not need the number of clusters in advance. Therefore, density-based clustering algorithm is a proper choice for clustering IoT streams. Recently, several density-based algorithms have been proposed for clustering data streams. However, density-based clustering in limited time is still a challenging issue. In this paper, we propose a density-based clustering algorithm for IoT streams. The method has fast processing time to be applicable in real-time application of IoT devices. Experimental results show that the proposed approach obtains high quality results with low computation time on real and synthetic datasets.

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.

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.

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.

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.

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.

Detection of foreign bodies in foods using continuous wave terahertz imaging.

PubMed

Lee, Young-Ki; Choi, Sung-Wook; Han, Seong-Tae; Woo, Deog Hyun; Chun, Hyang Sook

2012-01-01

Foreign bodies (FBs) in food are health hazards and quality issues for many food manufacturers and enforcement authorities. In this study, continuous wave (CW) terahertz (THz) imaging at 0.2 THz with an output power of 10 mW was compared with X-ray imaging as techniques for inspection of food for FBs. High-density FBs, i.e., aluminum and granite pieces of various sizes, were embedded in a powdered instant noodle product and detected using THz and X-ray imaging. All aluminum and granite pieces (regular hexahedrons with an edge length of 1 to 5 mm) were visualized by both CW THz and X-ray imaging. THz imaging also detected maggots (length = 8 to 22 mm) and crickets (length = 35 and 50 mm), which were embedded in samples as low density FBs. However, not all sizes of maggot pieces embedded in powdered instant noodle were detected with X-ray imaging, although larger crickets (length = 50 mm and thickness = 10 mm) were detected. These results suggest that CW THz imaging has potential for detecting both high-density and low-density FBs embedded in food.

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.

Density-based clustering of small peptide conformations sampled from a molecular dynamics simulation.

PubMed

Kim, Minkyoung; Choi, Seung-Hoon; Kim, Junhyoung; Choi, Kihang; Shin, Jae-Min; Kang, Sang-Kee; Choi, Yun-Jaie; Jung, Dong Hyun

2009-11-01

This study describes the application of a density-based algorithm to clustering small peptide conformations after a molecular dynamics simulation. We propose a clustering method for small peptide conformations that enables adjacent clusters to be separated more clearly on the basis of neighbor density. Neighbor density means the number of neighboring conformations, so if a conformation has too few neighboring conformations, then it is considered as noise or an outlier and is excluded from the list of cluster members. With this approach, we can easily identify clusters in which the members are densely crowded in the conformational space, and we can safely avoid misclustering individual clusters linked by noise or outliers. Consideration of neighbor density significantly improves the efficiency of clustering of small peptide conformations sampled from molecular dynamics simulations and can be used for predicting peptide structures.

Investigations of the Local supercluster velocity field. II. A study using Tolman-Bondi solution and galaxies with accurate distances from the Cepheid PL-relation

NASA Astrophysics Data System (ADS)

Ekholm, T.; Lanoix, P.; Teerikorpi, P.; Paturel, G.; Fouqué, P.

1999-11-01

A sample of 32 galaxies with accurate distance moduli from the Cepheid PL-relation (Lanoix \\cite{Lanoix99}) has been used to study the dynamical behaviour of the Local (Virgo) supercluster. We used analytical Tolman-Bondi (TB) solutions for a spherically symmetric density excess embedded in the Einstein-deSitter universe (q_0=0.5). Using 12 galaxies within Theta =30degr from the centre we found a mass estimate of 1.62M_virial for the Virgo cluster. This agrees with the finding of Teerikorpi et al. (\\cite{Teerikorpi92}) that TB-estimate may be larger than virial mass estimate from Tully & Shaya (\\cite{Tully84}). Our conclusions do not critically depend on our primary choice of the global H_0=57 km s-1 Mpc{-1} established from SNe Ia (Lanoix \\cite{Lanoix99}). The remaining galaxies outside Virgo region do not disagree with this value. Finally, we also found a TB-solution with the H_0 and q_0 cited yielding exactly one virial mass for the Virgo cluster.

GDPC: Gravitation-based Density Peaks Clustering algorithm

NASA Astrophysics Data System (ADS)

Jiang, Jianhua; Hao, Dehao; Chen, Yujun; Parmar, Milan; Li, Keqin

2018-07-01

The Density Peaks Clustering algorithm, which we refer to as DPC, is a novel and efficient density-based clustering approach, and it is published in Science in 2014. The DPC has advantages of discovering clusters with varying sizes and varying densities, but has some limitations of detecting the number of clusters and identifying anomalies. We develop an enhanced algorithm with an alternative decision graph based on gravitation theory and nearby distance to identify centroids and anomalies accurately. We apply our method to some UCI and synthetic data sets. We report comparative clustering performances using F-Measure and 2-dimensional vision. We also compare our method to other clustering algorithms, such as K-Means, Affinity Propagation (AP) and DPC. We present F-Measure scores and clustering accuracies of our GDPC algorithm compared to K-Means, AP and DPC on different data sets. We show that the GDPC has the superior performance in its capability of: (1) detecting the number of clusters obviously; (2) aggregating clusters with varying sizes, varying densities efficiently; (3) identifying anomalies accurately.

An improved initialization center k-means clustering algorithm based on distance and density

NASA Astrophysics Data System (ADS)

Duan, Yanling; Liu, Qun; Xia, Shuyin

2018-04-01

Aiming at the problem of the random initial clustering center of k means algorithm that the clustering results are influenced by outlier data sample and are unstable in multiple clustering, a method of central point initialization method based on larger distance and higher density is proposed. The reciprocal of the weighted average of distance is used to represent the sample density, and the data sample with the larger distance and the higher density are selected as the initial clustering centers to optimize the clustering results. Then, a clustering evaluation method based on distance and density is designed to verify the feasibility of the algorithm and the practicality, the experimental results on UCI data sets show that the algorithm has a certain stability and practicality.

Benchmark fragment-based 1H, 13C, 15N and 17O chemical shift predictions in molecular crystals†

PubMed Central

Hartman, Joshua D.; Kudla, Ryan A.; Day, Graeme M.; Mueller, Leonard J.; Beran, Gregory J. O.

2016-01-01

The performance of fragment-based ab initio 1H, 13C, 15N and 17O chemical shift predictions is assessed against experimental NMR chemical shift data in four benchmark sets of molecular crystals. Employing a variety of commonly used density functionals (PBE0, B3LYP, TPSSh, OPBE, PBE, TPSS), we explore the relative performance of cluster, two-body fragment, and combined cluster/fragment models. The hybrid density functionals (PBE0, B3LYP and TPSSh) generally out-perform their generalized gradient approximation (GGA)-based counterparts. 1H, 13C, 15N, and 17O isotropic chemical shifts can be predicted with root-mean-square errors of 0.3, 1.5, 4.2, and 9.8 ppm, respectively, using a computationally inexpensive electrostatically embedded two-body PBE0 fragment model. Oxygen chemical shieldings prove particularly sensitive to local many-body effects, and using a combined cluster/fragment model instead of the simple two-body fragment model decreases the root-mean-square errors to 7.6 ppm. These fragment-based model errors compare favorably with GIPAW PBE ones of 0.4, 2.2, 5.4, and 7.2 ppm for the same 1H, 13C, 15N, and 17O test sets. Using these benchmark calculations, a set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided and their robustness assessed using statistical cross-validation. We demonstrate the utility of these approaches and the reported scaling parameters on applications to 9-tertbutyl anthracene, several histidine co-crystals, benzoic acid and the C-nitrosoarene SnCl2(CH3)2(NODMA)2. PMID:27431490

Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystals.

PubMed

Hartman, Joshua D; Kudla, Ryan A; Day, Graeme M; Mueller, Leonard J; Beran, Gregory J O

2016-08-21

The performance of fragment-based ab initio(1)H, (13)C, (15)N and (17)O chemical shift predictions is assessed against experimental NMR chemical shift data in four benchmark sets of molecular crystals. Employing a variety of commonly used density functionals (PBE0, B3LYP, TPSSh, OPBE, PBE, TPSS), we explore the relative performance of cluster, two-body fragment, and combined cluster/fragment models. The hybrid density functionals (PBE0, B3LYP and TPSSh) generally out-perform their generalized gradient approximation (GGA)-based counterparts. (1)H, (13)C, (15)N, and (17)O isotropic chemical shifts can be predicted with root-mean-square errors of 0.3, 1.5, 4.2, and 9.8 ppm, respectively, using a computationally inexpensive electrostatically embedded two-body PBE0 fragment model. Oxygen chemical shieldings prove particularly sensitive to local many-body effects, and using a combined cluster/fragment model instead of the simple two-body fragment model decreases the root-mean-square errors to 7.6 ppm. These fragment-based model errors compare favorably with GIPAW PBE ones of 0.4, 2.2, 5.4, and 7.2 ppm for the same (1)H, (13)C, (15)N, and (17)O test sets. Using these benchmark calculations, a set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided and their robustness assessed using statistical cross-validation. We demonstrate the utility of these approaches and the reported scaling parameters on applications to 9-tert-butyl anthracene, several histidine co-crystals, benzoic acid and the C-nitrosoarene SnCl2(CH3)2(NODMA)2.

Bendable solid-state supercapacitors with Au nanoparticle-embedded graphene hydrogel films

PubMed Central

Yang, Kyungwhan; Cho, Kyoungah; Yoon, Dae Sung; Kim, Sangsig

2017-01-01

In this study, we fabricate bendable solid-state supercapacitors with Au nanoparticle (NP)-embedded graphene hydrogel (GH) electrodes and investigate the influence of the Au NP embedment on the internal resistance and capacitive performance. Embedding the Au NPs into the GH electrodes results in a decrease of the internal resistance from 35 to 21 Ω, and a threefold reduction of the IR drop at a current density of 5 A/g when compared with GH electrodes without Au NPs. The Au NP-embedded GH supercapacitors (NP-GH SCs) exhibit excellent capacitive performances, with large specific capacitance (135 F/g) and high energy density (15.2 W·h/kg). Moreover, the NP-GH SCs exhibit comparable areal capacitance (168 mF/cm2) and operate under tensile/compressive bending. PMID:28074865

Electron and hole stability in GaN and ZnO.

PubMed

Walsh, Aron; Catlow, C Richard A; Miskufova, Martina; Sokol, Alexey A

2011-08-24

We assess the thermodynamic doping limits of GaN and ZnO on the basis of point defect calculations performed using the embedded cluster approach and employing a hybrid non-local density functional for the quantum mechanical region. Within this approach we have calculated a staggered (type-II) valence band alignment between the two materials, with the N 2p states contributing to the lower ionization potential of GaN. With respect to the stability of free electron and hole carriers, redox reactions resulting in charge compensation by ionic defects are found to be largely endothermic (unfavourable) for electrons and exothermic (favourable) for holes, which is consistent with the efficacy of electron conduction in these materials. Approaches for overcoming these fundamental thermodynamic limits are discussed. © 2011 IOP Publishing Ltd

STAR FORMATION AND SUPERCLUSTER ENVIRONMENT OF 107 NEARBY GALAXY CLUSTERS

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

Cohen, Seth A.; Hickox, Ryan C.; Wegner, Gary A.

We analyze the relationship between star formation (SF), substructure, and supercluster environment in a sample of 107 nearby galaxy clusters using data from the Sloan Digital Sky Survey. Previous works have investigated the relationships between SF and cluster substructure, and cluster substructure and supercluster environment, but definitive conclusions relating all three of these variables has remained elusive. We find an inverse relationship between cluster SF fraction ( f {sub SF}) and supercluster environment density, calculated using the Galaxy luminosity density field at a smoothing length of 8 h {sup −1} Mpc (D8). The slope of f {sub SF} versus D8more » is −0.008 ± 0.002. The f {sub SF} of clusters located in low-density large-scale environments, 0.244 ± 0.011, is higher than for clusters located in high-density supercluster cores, 0.202 ± 0.014. We also divide superclusters, according to their morphology, into filament- and spider-type systems. The inverse relationship between cluster f {sub SF} and large-scale density is dominated by filament- rather than spider-type superclusters. In high-density cores of superclusters, we find a higher f {sub SF} in spider-type superclusters, 0.229 ± 0.016, than in filament-type superclusters, 0.166 ± 0.019. Using principal component analysis, we confirm these results and the direct correlation between cluster substructure and SF. These results indicate that cluster SF is affected by both the dynamical age of the cluster (younger systems exhibit higher amounts of SF); the large-scale density of the supercluster environment (high-density core regions exhibit lower amounts of SF); and supercluster morphology (spider-type superclusters exhibit higher amounts of SF at high densities).« less

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.

Röntgen spheres around active stars

NASA Astrophysics Data System (ADS)

Locci, Daniele; Cecchi-Pestellini, Cesare; Micela, Giuseppina; Ciaravella, Angela; Aresu, Giambattista

2018-01-01

X-rays are an important ingredient of the radiation environment of a variety of stars of different spectral types and age. We have modelled the X-ray transfer and energy deposition into a gas with solar composition, through an accurate description of the electron cascade following the history of the primary photoelectron energy deposition. We test and validate this description studying the possible formation of regions in which X-rays are the major ionization channel. Such regions, called Röntgen spheres may have considerable importance in the chemical and physical evolution of the gas embedding the emitting star. Around massive stars the concept of Röntgen sphere appears to be of limited use, as the formation of extended volumes with relevant levels of ionization is efficient just in a narrow range of gas volume densities. In clouds embedding low-mass pre-main-sequence stars significant volumes of gas are affected by ionization levels exceeding largely the cosmic-ray background ionization. In clusters arising in regions of vigorous star formation X-rays create an ionization network pervading densely the interstellar medium, and providing a natural feedback mechanism, which may affect planet and star formation processes.

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

Density-Aware Clustering Based on Aggregated Heat Kernel and Its Transformation

DOE PAGES

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

2015-06-01

Current spectral clustering algorithms suffer from the sensitivity to existing noise, and parameter scaling, and may not be aware of different density distributions across clusters. If these problems are left untreated, the consequent clustering results cannot accurately represent true data patterns, in particular, for complex real world datasets with heterogeneous densities. This paper aims to solve these problems by proposing a diffusion-based Aggregated Heat Kernel (AHK) to improve the clustering stability, and a Local Density Affinity Transformation (LDAT) to correct the bias originating from different cluster densities. AHK statistically\\ models the heat diffusion traces along the entire time scale, somore » it ensures robustness during clustering process, while LDAT probabilistically reveals local density of each instance and suppresses the local density bias in the affinity matrix. Our proposed framework integrates these two techniques systematically. As a result, not only does it provide an advanced noise-resisting and density-aware spectral mapping to the original dataset, but also demonstrates the stability during the processing of tuning the scaling parameter (which usually controls the range of neighborhood). Furthermore, our framework works well with the majority of similarity kernels, which ensures its applicability to many types of data and problem domains. The systematic experiments on different applications show that our proposed algorithms outperform state-of-the-art clustering algorithms for the data with heterogeneous density distributions, and achieve robust clustering performance with respect to tuning the scaling parameter and handling various levels and types of noise.« less

Robust nonparametric quantification of clustering density of molecules in single-molecule localization microscopy

PubMed Central

Jiang, Shenghang; Park, Seongjin; Challapalli, Sai Divya; Fei, Jingyi; Wang, Yong

2017-01-01

We report a robust nonparametric descriptor, J′(r), for quantifying the density of clustering molecules in single-molecule localization microscopy. J′(r), based on nearest neighbor distribution functions, does not require any parameter as an input for analyzing point patterns. We show that J′(r) displays a valley shape in the presence of clusters of molecules, and the characteristics of the valley reliably report the clustering features in the data. Most importantly, the position of the J′(r) valley (rJm′) depends exclusively on the density of clustering molecules (ρc). Therefore, it is ideal for direct estimation of the clustering density of molecules in single-molecule localization microscopy. As an example, this descriptor was applied to estimate the clustering density of ptsG mRNA in E. coli bacteria. PMID:28636661

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

Ben-Naim, Eli; Krapivsky, Paul

Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tailsmore » of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.« less

Data embedding employing degenerate clusters of data having differences less than noise value

DOEpatents

Sanford, II, Maxwell T.; Handel, Theodore G.

1998-01-01

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.

The NGC 281 west cluster. I. Star formation in photoevaporating clumps.

NASA Astrophysics Data System (ADS)

Megeath, S. T.; Wilson, T. L.

1997-09-01

The NGC281 West molecular cloud is an excellent test case for studying star formation in the clumpy interface between a \\hii region and a giant molecular cloud. We present here a study based on new high resolution radio and near-infrared data. Using the IRAM 30-meter telescope, we have mapped the interface in the \\cotwo, \\coone, and \\cs transitions with FWHP beamwidths <= 22''. We have imaged the same region with the VLA in the 20, 6 and 2 cm continuum bands to obtain complementary maps of the ionized gas distribution with angular resolutions <= 13''. In addition, we have obtained near-infrared J and K'-band images to detect young stars in the interface. The 30-meter data shows the molecular gas is concentrated into three clumps with masses of 570, > 210, and 300 \\msun and average volume densities of 1.4, >1, and 2 x 10(4) \\cm. We detect \\cs emission in two of the clumps, indicating peak densities in excess of 5x 10(5) \\cm are attained in the clumps. A comparison of the \\co line data with the 20 cm continuum image suggests that the molecular clumps are being photoevaporated through their direct exposure to the UV radiation from neighboring OB stars. The luminosity and extent of the observed 20 cm emission is in good agreement with theoretical predictions. We use models of photoevaporative flows to estimate the pressure exerted on the clumps by the ionized gas and find that it exceeds the internal, turbulent pressure of the clumps by a factor of a 2.5. Although a pressure equilibrium is not excluded given the uncertainties inherent in determining the pressures of the ionized and molecular gases, our best estimates of the clumps and flow parameters favor the the existence of low velocity shocks (1.5 \\kms) in the clumps. The clumps exhibit broad, non-gaussian lineshapes and complex kinematical structures suggestive of shocks. Further evidence for shocks is found in a comparison of position-velocity diagrams with published numerical simulations of imploding spherical clumps. We discuss the possibility that the knots of \\cs emission may trace gas compressed by converging shock waves. The K'-band observations show a rich cluster of primarily low mass stars in the \\hii/molecular interface, which we argue is divided into two distinct sub-clusters. We associate one sub-cluster with the two clumps nearest the OB stars, and the second sub-cluster with the third clump. The two clumps nearest the OB stars contain an embedded population, suggesting that star formation is ongoing. We discuss the impact photoevaporation is having on star formation in these two clumps. We find that photoevaporation is dispersing the molecular gas from which the cluster is forming and estimate that the molecular gas will be completely evaporated in 5 Myr. Deep K'-band imaging of the two clumps show that the stars are detected primarily on the sides of the clumps facing the OB stars and in the adjoining \\hii region. We examine three explanations for this asymmetry: displacement of the clump centers from the cluster center by the acceleration of the molecular gas through photoevaporation (i.e. the rocket effect), unveiling of young, embedded stars by ionization-shock fronts, and the triggered formation of stars by shocks advancing into the clumps. If shock compression is indeed ongoing in the clumps, then we argue that there is a good case for shock triggered star formation.

Full-potential KKR calculations for vacancies in Al : Screening effect and many-body interactions

NASA Astrophysics Data System (ADS)

Hoshino, T.; Asato, M.; Zeller, R.; Dederichs, P. H.

2004-09-01

We give ab initio calculations for vacancies in Al . The calculations are based on the generalized-gradient approximation in the density-functional theory and employ the all-electron full-potential Korringa-Kohn-Rostoker Green’s function method for point defects, which guarantees the correct embedding of the cluster of point defects in an otherwise perfect crystal. First, we confirm the recent calculated results of Carling [Phys. Rev. Lett. 85, 3862 (2000)], i.e., repulsion of the first-nearest-neighbor (1NN) divacancy in Al , and elucidate quantitatively the micromechanism of repulsion. Using the calculated results for vacancy formation energies and divacancy binding energies in Na , Mg , Al , and Si of face-centered-cubic, we show that the single vacancy in nearly free-electron systems becomes very stable with increasing free-electron density, due to the screening effect, and that the formation of divacancy destroys the stable electron distribution around the single vacancy, resulting in a repulsion of two vacancies on 1NN sites, so that the 1NN divacancy is unstable. Second, we show that the cluster expansion converges rapidly for the binding energies of vacancy agglomerates in Al . The binding energy of 13 vacancies consisting of a central vacancy and its 12 nearest neighbors, is reproduced within the error of 0.002eV per vacancy, if many-body interaction energies up to the four-body terms are taken into account in the cluster expansion, being compared with the average error (>0.1eV) of the glue models which are very often used to provide interatomic potentials for computer simulations. For the cluster expansion of the binding energies of impurities, we get the same convergence as that obtained for vacancies. Thus, the present cluster-expansion approach for the binding energies of agglomerates of vacancies and impurities in Al may provide accurate data to construct the interaction-parameter model for computer simulations which are strongly requested to study the dynamical process in the initial stage of the formation of the so-called Guinier-Preston zones of low-concentrated Al -based alloys such as Al1-cXc ( X=Cu , Zn ; c<0.05 ).

Molecular dynamics investigation of dynamical heterogeneity and local structure in the supercooled liquid and glass states of Al

NASA Astrophysics Data System (ADS)

Li, Maozhi; Wang, Cai-Zhuang; Mendelev, Mikhail I.; Ho, Kai-Ming

2008-05-01

Molecular dynamics simulations are performed to study the structure and dynamical heterogeneity in the liquid and glass states of Al using a frequently employed embedded atom potential. While the pair correlation function of the glass and liquid states displays only minor differences, the icosahedral short-range order (ISRO) and the dynamics of the two states are very different. The ISRO is much stronger in the glass than in the liquid. It is also found that both the most mobile and the most immobile atoms in the glass state tend to form clusters, and the clusters formed by the immobile atoms are more compact. In order to investigate the local environment of each atom in the liquid and glass states, a local density is defined to characterize the local atomic packing. There is a strong correlation between the local packing density and the mobility of the atoms. These results indicate that dynamical heterogeneity in glasses is directly correlated to the local structure. We also analyze the diffusion mechanisms of atoms in the liquid and glass states. It is found that for the mobile atoms in the glass state, initially they are confined in the cages formed by their nearest neighbors and vibrating. On the time scale of β relaxation, the mobile atoms try to break up the cage confinement and hop into new cages. In the supercooled liquid states, however, atoms continuously diffuse. Furthermore, it is found that on the time scale of β relaxation, some of the mobile atoms in the glass state cooperatively hop, which is facilitated by the stringlike cluster structures. On the longer time scale, it is found that a certain fraction of atoms can simultaneously hop, although they are not nearest neighbors. Further analysis shows that these hopping atoms form big and more compact clusters than the characterized most mobile atoms. The cooperative rearrangement of these big compact clusters might facilitate the simultaneous hopping of atoms in the glass states on the long time scale.

Applied anatomic site study of palatal anchorage implants using cone beam computed tomography.

PubMed

Lai, Ren-fa; Zou, Hui; Kong, Wei-dong; Lin, Wei

2010-06-01

The purpose of this study was to conduct quantitative research on bone height and bone mineral density of palatal implant sites for implantation, and to provide reference sites for safe and stable palatal implants. Three-dimensional reformatting images were reconstructed by cone beam computed tomography (CBCT) in 34 patients, aged 18 to 35 years, using EZ Implant software. Bone height was measured at 20 sites of interest on the palate. Bone mineral density was measured at the 10 sites with the highest implantation rate, classified using K-mean cluster analysis based on bone height and bone mineral density. According to the cluster analysis, 10 sites were classified into three clusters. Significant differences in bone height and bone mineral density were detected between these three clusters (P<0.05). The greatest bone height was obtained in cluster 2, followed by cluster 1 and cluster 3. The highest bone mineral density was found in cluster 3, followed by cluster 1 and cluster 2. CBCT plays an important role in pre-surgical treatment planning. CBCT is helpful in identifying safe and stable implantation sites for palatal anchorage.

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%.

Density matrix embedding in an antisymmetrized geminal power bath

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

Tsuchimochi, Takashi; Welborn, Matthew; Van Voorhis, Troy, E-mail: tvan@mit.edu

2015-07-14

Density matrix embedding theory (DMET) has emerged as a powerful tool for performing wave function-in-wave function embedding for strongly correlated systems. In traditional DMET, an accurate calculation is performed on a small impurity embedded in a mean field bath. Here, we extend the original DMET equations to account for correlation in the bath via an antisymmetrized geminal power (AGP) wave function. The resulting formalism has a number of advantages. First, it allows one to properly treat the weak correlation limit of independent pairs, which DMET is unable to do with a mean-field bath. Second, it associates a size extensive correlationmore » energy with a given density matrix (for the models tested), which AGP by itself is incapable of providing. Third, it provides a reasonable description of charge redistribution in strongly correlated but non-periodic systems. Thus, AGP-DMET appears to be a good starting point for describing electron correlation in molecules, which are aperiodic and possess both strong and weak electron correlation.« less

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

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.

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

NASA Astrophysics Data System (ADS)

Qian, Yibin; Ren, Zhongzhou; Ni, Dongdong

2016-08-01

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

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.

Novel density-based and hierarchical density-based clustering algorithms for uncertain data.

PubMed

Zhang, Xianchao; Liu, Han; Zhang, Xiaotong

2017-09-01

Uncertain data has posed a great challenge to traditional clustering algorithms. Recently, several algorithms have been proposed for clustering uncertain data, and among them density-based techniques seem promising for handling data uncertainty. However, some issues like losing uncertain information, high time complexity and nonadaptive threshold have not been addressed well in the previous density-based algorithm FDBSCAN and hierarchical density-based algorithm FOPTICS. In this paper, we firstly propose a novel density-based algorithm PDBSCAN, which improves the previous FDBSCAN from the following aspects: (1) it employs a more accurate method to compute the probability that the distance between two uncertain objects is less than or equal to a boundary value, instead of the sampling-based method in FDBSCAN; (2) it introduces new definitions of probability neighborhood, support degree, core object probability, direct reachability probability, thus reducing the complexity and solving the issue of nonadaptive threshold (for core object judgement) in FDBSCAN. Then, we modify the algorithm PDBSCAN to an improved version (PDBSCANi), by using a better cluster assignment strategy to ensure that every object will be assigned to the most appropriate cluster, thus solving the issue of nonadaptive threshold (for direct density reachability judgement) in FDBSCAN. Furthermore, as PDBSCAN and PDBSCANi have difficulties for clustering uncertain data with non-uniform cluster density, we propose a novel hierarchical density-based algorithm POPTICS by extending the definitions of PDBSCAN, adding new definitions of fuzzy core distance and fuzzy reachability distance, and employing a new clustering framework. POPTICS can reveal the cluster structures of the datasets with different local densities in different regions better than PDBSCAN and PDBSCANi, and it addresses the issues in FOPTICS. Experimental results demonstrate the superiority of our proposed algorithms over the existing algorithms in accuracy and efficiency. Copyright © 2017 Elsevier Ltd. All rights reserved.

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.

Development of a laser-guided embedded-computer-controlled air-assisted precision sprayer

USDA-ARS?s Scientific Manuscript database

An embedded computer-controlled, laser-guided, air-assisted, variable-rate precision sprayer was developed to automatically adjust spray outputs on both sides of the sprayer to match presence, size, shape, and foliage density of tree crops. The sprayer was the integration of an embedded computer, a ...

Kinetics of Aggregation with Choice

DOE PAGES

Ben-Naim, Eli; Krapivsky, Paul

2016-12-01

Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tailsmore » of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.« less

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.

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.

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

Data embedding employing degenerate clusters of data having differences less than noise value

DOEpatents

Sanford, M.T. II; Handel, T.G.

1998-10-06

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. 35 figs.

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.

(Tl, Au)/Si(1 1 1){\\sqrt7 \\times \\sqrt7} 2D compound: an ordered array of identical Au clusters embedded in Tl matrix

NASA Astrophysics Data System (ADS)

Mihalyuk, A. N.; Hsing, C. R.; Wei, C. M.; Eremeev, S. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Gruznev, D. V.; Zotov, A. V.; Saranin, A. A.

2018-01-01

Formation of the highly-ordered \\sqrt7 × \\sqrt7 -periodicity 2D compound has been detected in the (Tl, Au)/Si(1 1 1) system as a result of Au deposition onto the Tl/Si(1 1 1) surface, its composition, structure and electronic properties have been characterized using scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density-functional-theory calculations. On the basis of these data, the structural model of the Tl-Au compound has been proposed, which adopts 12 Tl atoms and 10 Au atoms (in total, 22 atoms) per \\sqrt7 × \\sqrt7 unit cell, i.e.  ˜1.71 ML of Tl and  ˜1.43 ML of Au (in total, ˜3.14 ML). Qualitatively, the model can be visualized as consisting of truncated-pyramid-like Au clusters with a Tl atom on top, while the other Tl atoms form a double layer around the Au clusters. The (Tl, Au)/Si(1 1 1)\\sqrt7 × \\sqrt7 compound has been found to exhibit pronounced metallic properties at least down to temperatures as low as  ˜25 K, which makes it a promising object for studying electrical transport phenomena in the 2D metallic systems.

Density-based clustering: A 'landscape view' of multi-channel neural data for inference and dynamic complexity analysis.

PubMed

Baglietto, Gabriel; Gigante, Guido; Del Giudice, Paolo

2017-01-01

Two, partially interwoven, hot topics in the analysis and statistical modeling of neural data, are the development of efficient and informative representations of the time series derived from multiple neural recordings, and the extraction of information about the connectivity structure of the underlying neural network from the recorded neural activities. In the present paper we show that state-space clustering can provide an easy and effective option for reducing the dimensionality of multiple neural time series, that it can improve inference of synaptic couplings from neural activities, and that it can also allow the construction of a compact representation of the multi-dimensional dynamics, that easily lends itself to complexity measures. We apply a variant of the 'mean-shift' algorithm to perform state-space clustering, and validate it on an Hopfield network in the glassy phase, in which metastable states are largely uncorrelated from memories embedded in the synaptic matrix. In this context, we show that the neural states identified as clusters' centroids offer a parsimonious parametrization of the synaptic matrix, which allows a significant improvement in inferring the synaptic couplings from the neural activities. Moving to the more realistic case of a multi-modular spiking network, with spike-frequency adaptation inducing history-dependent effects, we propose a procedure inspired by Boltzmann learning, but extending its domain of application, to learn inter-module synaptic couplings so that the spiking network reproduces a prescribed pattern of spatial correlations; we then illustrate, in the spiking network, how clustering is effective in extracting relevant features of the network's state-space landscape. Finally, we show that the knowledge of the cluster structure allows casting the multi-dimensional neural dynamics in the form of a symbolic dynamics of transitions between clusters; as an illustration of the potential of such reduction, we define and analyze a measure of complexity of the neural time series.

Nanoscale cross-point diode array accessing embedded high density PCM

NASA Astrophysics Data System (ADS)

Wang, Heng; Liu, Yan; Liu, Bo; Gao, Dan; Xu, Zhen; Zhan, Yipeng; Song, Zhitang; Feng, Songlin

2017-08-01

The main bottlenecks in the development of current embedded phase change memory (PCM) technology are the current density and data storage density. In this paper, we present a PCM with 4F2 cross-point diode selector and blade-type bottom electrode contact (BEC). A blade TiN BEC with a cross-sectional area of 630 nm2 (10 nm × 63 nm) reduces the reset current down to about 750 μA. The optimized diode array could supply this 750 μA reset current at about 1.7 V and low off-current 1 × 10-4 μA at about -5.05 V. The on-off ratio of this device is 7.5 × 106. The proposed nanoscale PCM device simultaneously exhibits an operation voltage as low as 3 V and a high density drive current with an ultra small cell size of 4F2 (108 nm × 108 nm). Over 106 cycling endurance properties guarantee that it can work effectively on the embedded memory.

Galaxy clusters and cold dark matter - A low-density unbiased universe?

NASA Technical Reports Server (NTRS)

Bahcall, Neta A.; Cen, Renyue

1992-01-01

Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

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

A practical guide to density matrix embedding theory in quantum chemistry

DOE PAGES

Wouters, Sebastian; Jimenez-Hoyos, Carlos A.; Sun, Qiming; ...

2016-05-09

Density matrix embedding theory (DMET) (Knizia, G.; Chan, G. K.-L. Phys. Rev. Lett. 2012, 109, 186404) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. Here, we also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample SN2 reaction.

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

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory

DTIC Science & Technology

2017-05-05

dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in previous studies...are characterized by many different geometries, which potentially can be optimized with respect to specific materials design criteria, i.e., molecular...SixOy molecular clusters using density functional theory (DFT). The size of the clusters considered, however, is relatively large compared to those

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

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.

FIRST RESULTS FROM Z -FOURGE : DISCOVERY OF A CANDIDATE CLUSTER AT z = 2.2 IN COSMOS

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

Spitler, Lee R.; Glazebrook, Karl; Poole, Gregory B.

2012-04-01

We report the first results from the Z -FOURGE survey: the discovery of a candidate galaxy cluster at z = 2.2 consisting of two compact overdensities with red galaxies detected at {approx}> 20{sigma} above the mean surface density. The discovery was made possible by a new deep (K{sub s} {approx}< 24.8 AB 5{sigma}) Magellan/FOURSTAR near-IR imaging survey with five custom medium-bandwidth filters. The filters pinpoint the location of the Balmer/4000 A break in evolved stellar populations at 1.5 < z < 3.5, yielding significantly more accurate photometric redshifts than possible with broadband imaging alone. The overdensities are within 1' ofmore » each other in the COSMOS field and appear to be embedded in a larger structure that contains at least one additional overdensity ({approx}10{sigma}). Considering the global properties of the overdensities, the z = 2.2 system appears to be the most distant example of a galaxy cluster with a population of red galaxies. A comparison to a large {Lambda}CDM simulation suggests that the system may consist of merging subclusters, with properties in between those of z > 2 protoclusters with more diffuse distributions of blue galaxies and the lower-redshift galaxy clusters with prominent red sequences. The structure is completely absent in public optical catalogs in COSMOS and only weakly visible in a shallower near-IR survey. The discovery showcases the potential of deep near-IR surveys with medium-band filters to advance the understanding of environment and galaxy evolution at z > 1.5.« less

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

Galaxy Clusters

NASA Astrophysics Data System (ADS)

Miller, Christopher J. Miller

2012-03-01

There are many examples of clustering in astronomy. Stars in our own galaxy are often seen as being gravitationally bound into tight globular or open clusters. The Solar System's Trojan asteroids cluster at the gravitational Langrangian in front of Jupiter’s orbit. On the largest of scales, we find gravitationally bound clusters of galaxies, the Virgo cluster (in the constellation of Virgo at a distance of ˜50 million light years) being a prime nearby example. The Virgo cluster subtends an angle of nearly 8◦ on the sky and is known to contain over a thousand member galaxies. Galaxy clusters play an important role in our understanding of theUniverse. Clusters exist at peaks in the three-dimensional large-scale matter density field. Their sky (2D) locations are easy to detect in astronomical imaging data and their mean galaxy redshifts (redshift is related to the third spatial dimension: distance) are often better (spectroscopically) and cheaper (photometrically) when compared with the entire galaxy population in large sky surveys. Photometric redshift (z) [Photometric techniques use the broad band filter magnitudes of a galaxy to estimate the redshift. Spectroscopic techniques use the galaxy spectra and emission/absorption line features to measure the redshift] determinations of galaxies within clusters are accurate to better than delta_z = 0.05 [7] and when studied as a cluster population, the central galaxies form a line in color-magnitude space (called the the E/S0 ridgeline and visible in Figure 16.3) that contains galaxies with similar stellar populations [15]. The shape of this E/S0 ridgeline enables astronomers to measure the cluster redshift to within delta_z = 0.01 [23]. The most accurate cluster redshift determinations come from spectroscopy of the member galaxies, where only a fraction of the members need to be spectroscopically observed [25,42] to get an accurate redshift to the whole system. If light traces mass in the Universe, then the locations of galaxy clusters will be at locations of the peaks in the true underlying (mostly) dark matter density field. Kaiser (1984) [19] called this the high-peak model, which we demonstrate in Figure 16.1. We show a two-dimensional representation of a density field created by summing plane-waves with a predetermined power and with random wave-vector directions. In the left panel, we plot only the largest modes, where we see the density peaks (black) and valleys (white) in the combined field. In the right panel, we allow for smaller modes. You can see that the highest density peaks in the left panel contain smaller-scale, but still high-density peaks. These are the locations of future galaxy clusters. The bottom panel shows just these cluster-scale peaks. As you can see, the peaks themselves are clustered, and instead of just one large high-density peak in the original density field (see the left panel), the smaller modes show that six peaks are "born" within the broader, underlying large-scale density modes. This exemplifies the "bias" or amplified structure that is traced by galaxy clusters [19]. Clusters are rare, easy to find, and their member galaxies provide good distance estimates. In combination with their amplified clustering signal described above, galaxy clusters are considered an efficient and precise tracer of the large-scale matter density field in the Universe. Galaxy clusters can also be used to measure the baryon content of the Universe [43]. They can be used to identify gravitational lenses [38] and map the distribution of matter in clusters. The number and spatial distribution of galaxy clusters can be used to constrain cosmological parameters, like the fraction of the energy density in the Universe due to matter (Omega_matter) or the variation in the density field on fixed physical scales (sigma_8) [26,33]. The individual clusters act as “Island Universes” and as such are laboratories here we can study the evolution of the properties of the cluster, like the hot, gaseous intra-cluster medium or shapes, colors, and star-formation histories of the member galaxies [17].

Voids in Gravitational Instability Scenarios - Part One - Global Density and Velocity Fields in an Einstein - De-Sitter Universe

NASA Astrophysics Data System (ADS)

van de Weygaert, R.; van Kampen, E.

1993-07-01

The first results of an extensive study of the structure and dynamics of underdense regions in gravitational instability scenarios are presented. Instead of adopting spherically symmetric voids with some idealized initial density and velocity profile, underdense regions of a given size and depth, embedded in an initial density fluctuation field, are generated. In order to accomplish this in a consistent way, these initial conditions are set up by means of Bertschinger's constrained random field code. The generated particle samples of 64^3^ particles in a box of side 100 Mpc are followed into the non-linear regime by Bertschinger's PM N- body code. In this way we address the dependence of the structure and kinematics of the void both on the initial depth of the void and on the fluctuation field in which it is embedded. In particular, this study provides some understanding of how far fluctuations on small scales modify the dynamics of the large-scale void, and especially of how far the properties of small structures inside the void are affected by the global properties of the void. One of the conspicuous features of the initial density fields inside protovoids appears to be the existence of a `void hierarchy', with small voids embedded in larger voids. The survival of this hierarchy during the riot evolution of the void depends critically on the initial depth as well as on the clustering scenario involved. As well as presenting a qualitative discussion of the structure of underdense regions in initial density fields in different scenarios, and the results of simulations of the ensuing non-linear evolution, we concentrate in particular on a comparison of the global density and velocity fields in voids with predictions from linear theory as well as from the spherical outflow model. The relation between the initial linear depth, the resulting non-linear depth and the excess expansion velocities in voids is addressed. In addition, we find that, while near its centre a void becomes more and more spherical, the shape of its boundary is influenced to a large extent by the structures surrounding the void and therefore is generally more irregular. In this first study we concentrate on single voids in Einstein-de Sitter universes. The underdense regions considered are linear 1 σ_0_, 2 σ_0_ and 3 σ_0_ dips in fields that are Gaussian-smoothed on a scale of R_G_ = 10 h^-1^ Mpc, approximately half the size of the Bootes void. These regions are studied in terms of the Cold Dark Matter and Hot Dark Matter scenarios as well as in terms of the scale-free scenarios P(k) is proportional to k^0^, k^-1^ and k^-2^. The Hubble constant is taken to be H_0_ = 100 h km s^-1^ Mpc^-1^.

Modelling charge transfer reactions with the frozen density embedding formalism.

PubMed

Pavanello, Michele; Neugebauer, Johannes

2011-12-21

The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two π-stacked nucleobase dimers of B-DNA: 5'-GG-3' and 5'-GT-3'. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

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.

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.

THE YOUNG STELLAR POPULATION OF LYNDS 1340. AN INFRARED VIEW

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

Kun, M.; Moór, A.; Wolf-Chase, G.

We present results of an infrared study of the molecular cloud Lynds 1340, forming three groups of low- and intermediate-mass stars. Our goals are to identify and characterize the young stellar population of the cloud, study the relationships between the properties of the cloud and the emergent stellar groups, and integrate L1340 into the picture of the star-forming activity of our Galactic environment. We selected candidate young stellar objects (YSOs) from the Spitzer and WISE databases using various published color criteria and classified them based on the slope of the spectral energy distribution (SED). We identified 170 Class II, 27more » flat SED, and 45 Class 0/I sources. High angular resolution near-infrared observations of the RNO 7 cluster, embedded in L1340, revealed eight new young stars of near-infrared excess. The surface density distribution of YSOs shows three groups, associated with the three major molecular clumps of L1340, each consisting of ≲100 members, including both pre-main-sequence stars and embedded protostars. New Herbig–Haro objects were identified in the Spitzer images. Our results demonstrate that L1340 is a prolific star-forming region of our Galactic environment in which several specific properties of the intermediate-mass mode of star formation can be studied in detail.« less

Al embedded MgO barrier MTJ: A first principle study for application in fast and compact STT-MRAMs

NASA Astrophysics Data System (ADS)

Yadav, Manoj Kumar; Gupta, Santosh Kumar; Rai, Sanjeev; Pandey, Avinash C.

2017-03-01

The first principle comparative study of a novel single Al sheet embedded MgO and pure MgO barrier having Fe electrodes magnetic tunnel junction has been presented. Al embedded MgO is reported to provide enhanced spin polarised tunnelling current due to increase of spin-polarized density of states at Fermi energy in the barrier region. This novel MTJ provides a current density and resistance area (RA) product of 94.497 ×107 A / cm2 and 0.105  Ω - μm2 respectively. With such a low RA product; it allows higher deriving current due to which switching time of magnetization reversal reduces without inducing barrier related breakdowns in non-volatile magnetic random access memories. The low RA product and high current density of the proposed MTJ may have possible applications in integration with existing MOS circuits.

Primordial inhomogeneities in the expanding universe. I - Density and velocity distributions of galaxies in the vicinities of rich clusters

NASA Technical Reports Server (NTRS)

Silk, J.; Wilson, M. L.

1979-01-01

The density profiles and Hubble flow deviations in the vicinities of rich galaxy clusters are derived for a variety of models of initial density and velocity perturbations at the recombination epoch. The galaxy correlation function, measured with respect to the Abell clusters, is used to normalize the theoretical models. The angular scales of the required primordial inhomogeneities are calculated. It is found that the resulting density profiles around rich clusters are surprisingly insensitive to the shape of the initial perturbations and also to the cosmological density parameter, Omega. However, it is shown that the distribution of galaxy radial velocities can provide a possible means of deriving Omega.

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

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.

Radiation hydrodynamics of super star cluster formation

NASA Astrophysics Data System (ADS)

Tsang, Benny Tsz Ho; Milos Milosavljevic

2018-01-01

Throughout the history of the Universe, the nuclei of super star clusters represent the most active sites for star formation. The high densities of massive stars within the clusters produce intense radiation that imparts both energy and momentum on the surrounding star-forming gas. Theoretical claims based on idealized geometries have claimed the dominant role of radiation pressure in controlling the star formation activity within the clusters. In order for cluster formation simulations to be reliable, numerical schemes have to be able to model accurately the radiation flows through the gas clumps at the cluster nuclei with high density contrasts. With a hybrid Monte Carlo radiation transport module we developed, we performed 3D radiation hydrodynamical simulations of super star cluster formation in turbulent clouds. Furthermore, our Monte Carlo radiation treatment provides a native capability to produce synthetic observations, which allows us to predict observational indicators and to inform future observations. We found that radiation pressure has definite, but minor effects on limiting the gas supply for star formation, and the final mass of the most massive cluster is about one million solar masses. The ineffective forcing was due to the density variations inside the clusters, i.e. radiation takes the paths of low densities and avoids forcing on dense clumps. Compared to a radiation-free control run, we further found that the presence of radiation amplifies the density variations. The core of the resulting cluster has a high stellar density, about the threshold required for stellar collisions and merging. The very massive star that form from the stellar merging could continue to gain mass from the surrounding gas reservoir that is gravitationally confined by the deep potential of the cluster, seeding the potential formation of a massive black hole.

Embedded-monolith armor

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

McElfresh, Michael W.; Groves, Scott E; Moffet, Mitchell L.

2016-07-19

A lightweight armor system utilizing a face section having a multiplicity of monoliths embedded in a matrix supported on low density foam. The face section is supported with a strong stiff backing plate. The backing plate is mounted on a spall plate.

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.

Resolving galaxy cluster gas properties at z ˜ 1 with XMM-Newton and Chandra

NASA Astrophysics Data System (ADS)

Bartalucci, I.; Arnaud, M.; Pratt, G. W.; Démoclès, J.; van der Burg, R. F. J.; Mazzotta, P.

2017-02-01

Massive, high-redshift, galaxy clusters are useful laboratories to test cosmological models and to probe structure formation and evolution, but observations are challenging due to cosmological dimming and angular distance effects. Here we present a pilot X-ray study of the five most massive (M500 > 5 × 1014M⊙), distant (z 1), clusters detected via the Sunyaev-Zel'Dovich effect. We optimally combine XMM-Newton and Chandra X-ray observations by leveraging the throughput of XMM-Newton to obtain spatially-resolved spectroscopy, and the spatial resolution of Chandra to probe the bright inner parts and to detect embedded point sources. Capitalising on the excellent agreement in flux-related measurements, we present a new method to derive the density profiles, which are constrained in the centre by Chandra and in the outskirts by XMM-Newton. We show that the Chandra-XMM-Newton combination is fundamental for morphological analysis at these redshifts, the Chandra resolution being required to remove point source contamination, and the XMM-Newton sensitivity allowing higher significance detection of faint substructures. Measuring the morphology using images from both instruments, we found that the sample is dominated by dynamically disturbed objects. We use the combined Chandra-XMM-Newton density profiles and spatially-resolved temperature profiles to investigate thermodynamic quantities including entropy and pressure. From comparison of the scaled profiles with the local REXCESS sample, we find no significant departure from standard self-similar evolution, within the dispersion, at any radius, except for the entropy beyond 0.7 R500. The baryon mass fraction tends towards the cosmic value, with a weaker dependence on mass than that observed in the local Universe. We make a comparison with the predictions from numerical simulations. The present pilot study demonstrates the utility and feasibility of spatially-resolved analysis of individual objects at high-redshift through the combination of XMM-Newton and Chandra observations. Observations of a larger sample will allow a fuller statistical analysis to be undertaken, in particular of the intrinsic scatter in the structural and scaling properties of the cluster population.

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.

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

Luhman, K. L.; Esplin, T. L.; Loutrel, N. P., E-mail: kluhman@astro.psu.edu

We have obtained optical and near-infrared spectra of candidate members of the star-forming clusters IC 348 and NGC 1333. We classify 100 and 42 candidates as new members of the clusters, respectively, which brings the total numbers of known members to 478 and 203. We also have performed spectroscopy on a large majority of the previously known members of NGC 1333 in order to provide spectral classifications that are measured with the same scheme that has been applied to IC 348 in previous studies. The new census of members is nearly complete for K {sub s}< 16.8 at A {submore » J}< 1.5 in IC 348 and for K {sub s}< 16.2 at A {sub J}< 3 in NGC 1333, which correspond to masses of ≳0.01 M {sub ⊙} for ages of 3 Myr according to theoretical evolutionary models. The faintest known members extend below these completeness limits and appear to have masses of ∼0.005 M {sub ⊙}. In extinction-limited samples of cluster members, NGC 1333 exhibits a higher abundance of objects at lower masses than IC 348. It would be surprising if the initial mass functions of these clusters differ significantly given their similar stellar densities and formation environments. Instead, it is possible that average extinctions are lower for less massive members of star-forming clusters, in which case extinction-limited samples could be biased in favor of low-mass objects in the more heavily embedded clusters like NGC 1333. In the Hertzsprung–Russell diagram, the median sequences of IC 348 and NGC 1333 coincide with each other for the adopted distances of 300 and 235 pc, which would suggest that they have similar ages. However, NGC 1333 is widely believed to be younger than IC 348 based on its higher abundance of disks and protostars and its greater obscuration. Errors in the adopted distances may be responsible for this discrepancy.« less

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.

Extended CO (J = 7-6) emission from Orion molecular cloud 1 - Hot ambient gas, two hot-outflow sources

NASA Astrophysics Data System (ADS)

Schmid-Burgk, J.; Densing, R.; Krugel, E.; Nett, H.; Roser, H. P.; Schafer, F.; Schwaab, G.; van der Wal, P.; Wattenbach, R.

1989-05-01

Observations of a 6 x 8-arcmin region at the core of Orion molecular cloud 1 are reported. Data obtained in the 806-GHz line of CO using the NASA Kuiper Airborne Observatory on September 15 and 17, 1986 are presented graphically and analyzed in detail. The results indicate a region of density 10,000/cu cm or greater and temperature of about 50 K extending several arcmin from the core; the total luminosities due to CO (J = 7-6) and to dust are estimated as 10 and 100,000 solar luminosities, respectively. Particular attention is given to the dust-embedded IR cluster BN-KL (with high-velocity outflow suggesting small optical depths) and a second more prominent feature about 2 arcmin to the south (with outflow of about 1 solar mass of material at 500-1000 K, radiating about 0.25 solar luminosity in CO 7-6).

Multi-wavelength characterisation of z ~ 2 clustered, dusty star-forming galaxies discovered by Planck

NASA Astrophysics Data System (ADS)

Flores-Cacho, I.; Pierini, D.; Soucail, G.; Montier, L.; Dole, H.; Pointecouteau, E.; Pelló, R.; Le Floc'h, E.; Nesvadba, N.; Lagache, G.; Guery, D.; Cañameras, R.

2016-01-01

We report the discovery of PHz G95.5-61.6, a complex structure detected in emission in the Planck all-sky survey that corresponds to two over-densities of high-redshift (I.e. z> 1) galaxies. This is the first source from the Planck catalogue of high-z candidates (proto-clusters and lensed systems) that has been completely characterised with follow-up observations from the optical to the sub-millimetre (sub-mm) domain. Herschel/SPIRE observations at 250, 350, and 500 μm reveal the existence of five sources producing a 500 μm emission excess that spatially corresponds to the candidate proto-clusters discovered by Planck. Further observations at the Canada-France-Hawaii Telescope in the optical bands (g and I) with MegaCam, and in the near infrared (NIR) (J, H and Ks), with WIRCam, plus mid-infrared observations with IRAC/Spitzer (at 3.6 and 4.5 μm), confirm that the sub-mm red excess is associated with an over-density of colour-selected galaxies (I - Ks ~ 2.3 and J - K ~ 0.8 AB-mag). Follow-up spectroscopy of 13 galaxies with VLT/X-Shooter establishes the existence of two high-z structures: one at z ≃ 1.7 (three confirmed member galaxies), the other at z ≃ 2.0 (six confirmed members). The spectroscopic members of each substructure occupy a circular region of comoving radius that is smaller than 1 Mpc, which supports the existence of a physical bond among them. This double structure is also seen in the photometric redshift analysis of a sample of 127 galaxies located inside a circular region of 1'-radius. This contains the five Herschel/SPIRE sources, where we found a double-peaked excess of galaxies at z ≃ 1.7 and z ≃ 2.0 with respect to the surrounding region. These results suggest that PHz G95.5-61.6 corresponds to two accreting nodes, not physically linked to one another, embedded in the large scale structure of the Universe at z ~ 2 and along the same line-of-sight. In conclusion, the data, methods and results illustrated in this pilot project confirm that Planck data can be used to detect the emission from clustered, dusty star-forming galaxies at high z, and, thus, to pierce through the early growth of cluster-scale structures.

The force-free configuration of flux ropes in geomagnetotail: Cluster observations

NASA Astrophysics Data System (ADS)

Yang, Y. Y.; Shen, C.; Zhang, Y. C.; Rong, Z. J.; Li, X.; Dunlop, M.; Ma, Y. H.; Liu, Z. X.; Carr, C. M.; Rème, H.

2014-08-01

Unambiguous knowledge of magnetic field structure and the electric current distribution is critical for understanding the origin, evolution, and related dynamic properties of magnetic flux ropes (MFRs). In this paper, a survey of 13 MFRs in the Earth's magnetotail are conducted by Cluster multipoint analysis, so that their force-free feature, i.e., the kind of magnetic field structure satisfying J × B = 0, can be probed directly. It is showed that the selected flux ropes with the bipolar signature of the south-north magnetic field component generally lie near the equatorial plane, as expected, and that the magnetic field gradient is rather weak near the axis center, where the curvature radius is large. The current density (up to several tens of nA/m2) reaches their maximum values as the center is approached. It is found that the stronger the current density, the smaller the angles between the magnetic field and current in MFRs. The direct observations show that only quasi force-free structure is observed, and it tends to appear in the low plasma beta regime (in agreement with the theoretic results). The quasi force-free region is generally found to be embedded in the central portion of the MFRs, where the current is approximately field aligned and proportional to the strength of core field. It is shown that ~60% of surveyed MFRs can be globally approximated as force free. The force-free factor α is found to be nonconstantly varied through the quasi force-free MFR, suggesting that the force-free structure is nonlinear.

Metalloid Aluminum Clusters with Fluorine

DTIC Science & Technology

2016-12-01

molecular dynamics, binding energy , siesta code, density of states, projected density of states 15. NUMBER OF PAGES 69 16. PRICE CODE 17. SECURITY...high energy density compared to explosives, but typically release this energy slowly via diffusion-limited combustion. There is recent interest in using...examine the cluster binding energy and electronic structure. Partial fluorine substitution in a prototypical aluminum-cyclopentadienyl cluster results

Rayleigh Scattering Density Measurements, Cluster Theory, and Nucleation Calculations at Mach 10

NASA Technical Reports Server (NTRS)

Balla, R. Jeffrey; Everhart, Joel L.

2012-01-01

In an exploratory investigation, quantitative unclustered laser Rayleigh scattering measurements of density were performed in the air in the NASA Langley Research Center's 31 in. Mach 10 wind tunnel. A review of 20 previous years of data in supersonic and Mach 6 hypersonic flows is presented where clustered signals typically overwhelmed molecular signals. A review of nucleation theory and accompanying nucleation calculations are also provided to interpret the current observed lack of clustering. Data were acquired at a fixed stagnation temperature near 990Kat five stagnation pressures spanning 2.41 to 10.0 MPa (350 to 1454 psi) using a pulsed argon fluoride excimer laser and double-intensified charge-coupled device camera. Data averaged over 371 images and 210 pixels along a 36.7mmline measured freestream densities that agree with computed isentropic-expansion densities to less than 2% and less than 6% at the highest and lowest densities, respectively. Cluster-free Mach 10 results are compared with previous clustered Mach 6 and condensation-free Mach 14 results. Evidence is presented indicating vibrationally excited oxygen and nitrogen molecules are absorbed as the clusters form, release their excess energy, and inhibit or possibly reverse the clustering process. Implications for delaying clustering and condensation onset in hypersonic and hypervelocity facilities are discussed.

Observational and Numerical Diagnostics of Galaxy Cluster Outer Regions

NASA Technical Reports Server (NTRS)

Eckert, D.; Vazza, F.; Ettori, S.; Molendi, S.; Nagai, D.; Lau, E.; Roncarelli, M.; Rossetti, M.; Snowden, S. L.; Gastaldello, F.

2011-01-01

Aims. We present the analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We exploit the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius. We perform a stacking of the density profiles to detect a signal beyond r(sub 200) and measure the typical density and scatter in cluster outskirts. We also compute the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compare our average density and scatter profiles with the results of numerical simulations. Results. As opposed to several recent results, we observe a steepening of the density profiles beyond approximately 0.3r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict too steep density profiles, whereas runs including additional physics and/or gas clumping are in better agreement with the observed gas distribution. We note a systematic difference between cool-core and non-cool core clusters beyond approximately 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond approximately r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only little differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the simulations. Conclusions. The general trend of steepening density around the virial radius indicates that the shallow density profiles found in several recent works were probably obtained along particular directions (e.g., filaments) and are not representative of the typical behavior of clusters. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Therefore, a detailed treatment of gas cooling, star formation, clumping, and AGN feedback is required to construct realistic models of cluster outer regions.

Modelling charge transfer reactions with the frozen density embedding formalism

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

Pavanello, Michele; Neugebauer, Johannes

2011-12-21

The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two {pi}-stacked nucleobase dimers of B-DNA: 5{sup '}-GG-3{sup '} and 5{sup '}-GT-3{sup '}. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionalsmore » are used the electronic couplings are grossly overestimated.« less

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

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.

m-BIRCH: an online clustering approach for computer vision applications

NASA Astrophysics Data System (ADS)

Madan, Siddharth K.; Dana, Kristin J.

2015-03-01

We adapt a classic online clustering algorithm called Balanced Iterative Reducing and Clustering using Hierarchies (BIRCH), to incrementally cluster large datasets of features commonly used in multimedia and computer vision. We call the adapted version modified-BIRCH (m-BIRCH). The algorithm uses only a fraction of the dataset memory to perform clustering, and updates the clustering decisions when new data comes in. Modifications made in m-BIRCH enable data driven parameter selection and effectively handle varying density regions in the feature space. Data driven parameter selection automatically controls the level of coarseness of the data summarization. Effective handling of varying density regions is necessary to well represent the different density regions in data summarization. We use m-BIRCH to cluster 840K color SIFT descriptors, and 60K outlier corrupted grayscale patches. We use the algorithm to cluster datasets consisting of challenging non-convex clustering patterns. Our implementation of the algorithm provides an useful clustering tool and is made publicly available.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

PubMed

Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

2015-04-21

We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

Dynamical mean-field theory, density-matrix embedding theory, and rotationally invariant slave bosons: A unified perspective

NASA Astrophysics Data System (ADS)

Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel

2017-12-01

We present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. This relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.

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 simple phenomenological model for grain clustering in turbulence

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.

2016-01-01

We propose a simple model for density fluctuations of aerodynamic grains, embedded in a turbulent, gravitating gas disc. The model combines a calculation for the behaviour of a group of grains encountering a single turbulent eddy, with a hierarchical approximation of the eddy statistics. This makes analytic predictions for a range of quantities including: distributions of grain densities, power spectra and correlation functions of fluctuations, and maximum grain densities reached. We predict how these scale as a function of grain drag time ts, spatial scale, grain-to-gas mass ratio tilde{ρ }, strength of turbulence α, and detailed disc properties. We test these against numerical simulations with various turbulence-driving mechanisms. The simulations agree well with the predictions, spanning ts Ω ˜ 10-4-10, tilde{ρ }˜ 0{-}3, α ˜ 10-10-10-2. Results from `turbulent concentration' simulations and laboratory experiments are also predicted as a special case. Vortices on a wide range of scales disperse and concentrate grains hierarchically. For small grains this is most efficient in eddies with turnover time comparable to the stopping time, but fluctuations are also damped by local gas-grain drift. For large grains, shear and gravity lead to a much broader range of eddy scales driving fluctuations, with most power on the largest scales. The grain density distribution has a log-Poisson shape, with fluctuations for large grains up to factors ≳1000. We provide simple analytic expressions for the predictions, and discuss implications for planetesimal formation, grain growth, and the structure of turbulence.

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.

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.

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.

A Weight-Adaptive Laplacian Embedding for Graph-Based Clustering.

PubMed

Cheng, De; Nie, Feiping; Sun, Jiande; Gong, Yihong

2017-07-01

Graph-based clustering methods perform clustering on a fixed input data graph. Thus such clustering results are sensitive to the particular graph construction. If this initial construction is of low quality, the resulting clustering may also be of low quality. We address this drawback by allowing the data graph itself to be adaptively adjusted in the clustering procedure. In particular, our proposed weight adaptive Laplacian (WAL) method learns a new data similarity matrix that can adaptively adjust the initial graph according to the similarity weight in the input data graph. We develop three versions of these methods based on the L2-norm, fuzzy entropy regularizer, and another exponential-based weight strategy, that yield three new graph-based clustering objectives. We derive optimization algorithms to solve these objectives. Experimental results on synthetic data sets and real-world benchmark data sets exhibit the effectiveness of these new graph-based clustering methods.

Local density variation of gold nanoparticles in aquatic environments

NASA Astrophysics Data System (ADS)

Hosseinzadeh, F.; Shirazian, F.; Shahsavari, R.; Khoei, A. R.

2016-10-01

Gold (Au) nanoparticles are widely used in diagnosing cancer, imaging, and identification of therapeutic methods due to their particular quantum characteristics. This research presents different types of aqueous models and potentials used in TIP3P, to study the effect of the particle size and density of Au clusters in aquatic environments; so it can be useful to facilitate future investigation of the interaction of proteins with Au nanoparticles. The EAM potential is used to model the structure of gold clusters. It is observed that in the systems with identical gold/water density and different cluster radii, gold particles are distributed in aqueous environment almost identically. Thus, Au particles have identical local densities, and the root mean square displacement (RMSD) increases with a constant slope. However in systems with constant cluster radii and different gold/water densities, Au particle dispersion increases with density; as a result, the local density decreases and the RMSD increases with a larger slope. In such systems, the larger densities result in more blunted second peaks in gold-gold radial distribution functions, owing to more intermixing of the clusters and less FCC crystalline features at longer range, a mechanism that is mediated by the competing effects of gold-water and gold-gold interactions.

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.

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.

SU-G-TeP3-14: Three-Dimensional Cluster Model in Inhomogeneous Dose Distribution

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

Wei, J; Penagaricano, J; Narayanasamy, G

2016-06-15

Purpose: We aim to investigate 3D cluster formation in inhomogeneous dose distribution to search for new models predicting radiation tissue damage and further leading to new optimization paradigm for radiotherapy planning. Methods: The aggregation of higher dose in the organ at risk (OAR) than a preset threshold was chosen as the cluster whose connectivity dictates the cluster structure. Upon the selection of the dose threshold, the fractional density defined as the fraction of voxels in the organ eligible to be part of the cluster was determined according to the dose volume histogram (DVH). A Monte Carlo method was implemented tomore » establish a case pertinent to the corresponding DVH. Ones and zeros were randomly assigned to each OAR voxel with the sampling probability equal to the fractional density. Ten thousand samples were randomly generated to ensure a sufficient number of cluster sets. A recursive cluster searching algorithm was developed to analyze the cluster with various connectivity choices like 1-, 2-, and 3-connectivity. The mean size of the largest cluster (MSLC) from the Monte Carlo samples was taken to be a function of the fractional density. Various OARs from clinical plans were included in the study. Results: Intensive Monte Carlo study demonstrates the inverse relationship between the MSLC and the cluster connectivity as anticipated and the cluster size does not change with fractional density linearly regardless of the connectivity types. An initially-slow-increase to exponential growth transition of the MSLC from low to high density was observed. The cluster sizes were found to vary within a large range and are relatively independent of the OARs. Conclusion: The Monte Carlo study revealed that the cluster size could serve as a suitable index of the tissue damage (percolation cluster) and the clinical outcome of the same DVH might be potentially different.« less

Influence of the electron density on the characteristics of terahertz waves generated under laser–cluster interaction

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

Frolov, A. A., E-mail: frolov@ihed.ras.ru

2016-12-15

A theory of generation of terahertz radiation under laser–cluster interaction, developed earlier for an overdense cluster plasma [A. A. Frolov, Plasma Phys. Rep. 42. 637 (2016)], is generalized for the case of arbitrary electron density. The spectral composition of radiation is shown to substantially depend on the density of free electrons in the cluster. For an underdense cluster plasma, there is a sharp peak in the terahertz spectrum at the frequency of the quadrupole mode of a plasma sphere. As the electron density increases to supercritical values, this spectral line vanishes and a broad maximum at the frequency comparable withmore » the reciprocal of the laser pulse duration appears in the spectrum. The dependence of the total energy of terahertz radiation on the density of free electrons is analyzed. The radiation yield is shown to increase significantly under resonance conditions, when the laser frequency is close to the eigenfrequency of the dipole or quadrupole mode of a plasma sphere.« less

The Stellar Population Associated with the IRAS Source 16132-5039

NASA Astrophysics Data System (ADS)

Roman-Lopes, A.; Abraham, Z.

2004-05-01

We report the discovery of a young massive stellar cluster and infrared nebula in the direction of the CS molecular cloud associated with the IRAS point source 16132-5039. Analysis of mid-infrared images from the more accurate Midcourse Space Experiment catalog reveals that there are two independent components associated with the IRAS source. The integral of the spectral energy distribution for these components between 8.28 and 100 μm gives lower limits for the bolometric luminosity of the embedded objects of 8.7×104 and 9×103 Lsolar, which correspond to zero-age main-sequence O8 and B0.5 stars, respectively. The number of Lyman continuum photons expected from the stars that lie along the reddening line for early-type stars is about 1.7×1049 s-1, enough to produce the detected flux densities at 5 GHz. The near-infrared spectrum of the nebula increases with frequency, implying that free-free emission cannot be the main source of the extended luminosity, from which we conclude that the observed emission must be mainly dust-scattered light. A comparison of the cluster described in this paper with the young stellar cluster associated with the IRAS source 16177-5018, which is located at the same distance and in the same direction, shows that the mean visual absorption of the newly discovered cluster is about 10 mag smaller and that it contains less massive stars, suggesting that it was formed from a less massive molecular cloud. Based on observations made at the Laboratório Nacional de Astrofisica, Ministério da Ciência e Tecnologia, Brazil.

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.

Automated segmentation of white matter fiber bundles using diffusion tensor imaging data and a new density based clustering algorithm.

PubMed

Kamali, Tahereh; Stashuk, Daniel

2016-10-01

Robust and accurate segmentation of brain white matter (WM) fiber bundles assists in diagnosing and assessing progression or remission of neuropsychiatric diseases such as schizophrenia, autism and depression. Supervised segmentation methods are infeasible in most applications since generating gold standards is too costly. Hence, there is a growing interest in designing unsupervised methods. However, most conventional unsupervised methods require the number of clusters be known in advance which is not possible in most applications. The purpose of this study is to design an unsupervised segmentation algorithm for brain white matter fiber bundles which can automatically segment fiber bundles using intrinsic diffusion tensor imaging data information without considering any prior information or assumption about data distributions. Here, a new density based clustering algorithm called neighborhood distance entropy consistency (NDEC), is proposed which discovers natural clusters within data by simultaneously utilizing both local and global density information. The performance of NDEC is compared with other state of the art clustering algorithms including chameleon, spectral clustering, DBSCAN and k-means using Johns Hopkins University publicly available diffusion tensor imaging data. The performance of NDEC and other employed clustering algorithms were evaluated using dice ratio as an external evaluation criteria and density based clustering validation (DBCV) index as an internal evaluation metric. Across all employed clustering algorithms, NDEC obtained the highest average dice ratio (0.94) and DBCV value (0.71). NDEC can find clusters with arbitrary shapes and densities and consequently can be used for WM fiber bundle segmentation where there is no distinct boundary between various bundles. NDEC may also be used as an effective tool in other pattern recognition and medical diagnostic systems in which discovering natural clusters within data is a necessity. Copyright © 2016 Elsevier B.V. All rights reserved.

Calculation of nuclear spin-spin coupling constants using frozen density embedding

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

Götz, Andreas W., E-mail: agoetz@sdsc.edu; Autschbach, Jochen; Visscher, Lucas, E-mail: visscher@chem.vu.nl

2014-03-14

We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors within the framework of current-spin-density-functional theory. Our approach is based on the frozen-density embedding scheme within density-functional theory and extends a previously reported subsystem-based approach for the calculation of nuclear magnetic resonance shielding tensors to magnetic fields which couple not only to orbital but also spin degrees of freedom. This leads to a formulation in which the electron density, the induced paramagnetic current, and the induced spin-magnetization density are calculated separately for the individual subsystems. This is particularly useful for the inclusion of environmental effects inmore » the calculation of nuclear spin-spin coupling constants. Neglecting the induced paramagnetic current and spin-magnetization density in the environment due to the magnetic moments of the coupled nuclei leads to a very efficient method in which the computationally expensive response calculation has to be performed only for the subsystem of interest. We show that this approach leads to very good results for the calculation of solvent-induced shifts of nuclear spin-spin coupling constants in hydrogen-bonded systems. Also for systems with stronger interactions, frozen-density embedding performs remarkably well, given the approximate nature of currently available functionals for the non-additive kinetic energy. As an example we show results for methylmercury halides which exhibit an exceptionally large shift of the one-bond coupling constants between {sup 199}Hg and {sup 13}C upon coordination of dimethylsulfoxide solvent molecules.« less

Hubble space telescope observations of young star clusters in NGC-4038/4039, 'the antennae' galaxies

NASA Technical Reports Server (NTRS)

Whitmore, Bradley C.; Schweizer, Francois

1995-01-01

New, high-resolution images of the disks of NGC 4038/4039 obtained with the Wide Field Camera of the Hubble Space Telescope (HST) are presented. NGC 4038/4039, nicknamed The Antennae, is a prototypical example of a pair of colliding galaxies believed to be at an early stage of a merger. Down to the limiting magnitude of V approximately 23 mag, the HST images reveal a population of over 700 blue pointlike objects within the disks. The mean absolute magnitude of these objects is M(sub V) = -11 mag, with the brightest objects reaching M(sub V) approximately -15. Their mean apparent color indices ar U - V = -0.7 mag and V - 1 = 0.8 mag on the Johnson UVI passband system, while their mean indices corrected for internal reddening are (u - v)(sub 0) = -1.0 mag and (V - I(sub 0) = 0.5. Their mean effective radius, determined from slightly resolved images, is 18 pc (for H(sub 0) = 50 km/s /Mpc). Based on their luminosities and resolution, most of these objects cannot be individual stars, but are likely young compact star clusters. The brighter ones are similar to the objects found in NGC 1275 and NGC 7252, which appear to be young globular clusters formed during recent galazy mergers. Based on their U - V and V - I colors, the brightest, bluest clusters of NGC 4038/4039 appear to be less than 10 Myr old. Most of these bright clusters are relatively tightly clustered themselves, with typically a dozen individual clusters belonging to a complex identified as a giant H II region from ground-based observations. The cluster luminosity function (LF) is approximately a power law, phi(L)dL proportional to L(exp -1.78+/-0.05)dL, with no hint of a turnover at fainter magnitudes. This power-law shape agrees with the LF of Magellanic Cloud clusters and Galactic open clusters, but differs from the LF of old globular cluster systems that is typically Gaussian with a Full Width at Half Maximum (FWHM) of approximately 3 mag. Besides the blue clusters, we also find about a dozen extremely red objects with V - I greater than 3.0. The highest number density of these red objects is found in the SE quadrant, where star formation appears to be most recent. We propose that these objects may be very young star clusters still embedded in their placental dust cocoons.

Titanium embedded cage structure formation in Al{sub n}Ti{sup +} clusters and their interaction with Ar

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

Torres, M. B., E-mail: begonia@ubu.es; Vega, A.; Balbás, L. C.

2014-05-07

Recently, Ar physisorption was used as a structural probe for the location of the Ti dopant atom in aluminium cluster cations, Al{sub n}Ti{sup +} [Lang et al., J. Am. Soc. Mass Spectrom. 22, 1508 (2011)]. As an experiment result, the lack of Ar complexes for n > n{sub c} determines the cluster size for which the Ti atom is located inside of an Al cage. To elucidate the decisive factors for the formation of endohedrally Al{sub n}Ti{sup +}, experimentalists proposed detailed computational studies as indispensable. In this work, we investigated, using the density functional theory, the structural and electronic propertiesmore » of singly titanium doped cationic clusters, Al{sub n}Ti{sup +} (n = 16–21) as well as the adsorption of an Ar atom on them. The first endohedral doped cluster, with Ti encapsulated in a fcc-like cage skeleton, appears at n{sub c} = 21, which is the critical number consistent with the exohedral-endohedral transition experimentally observed. At this critical size the non-crystalline icosahedral growth pattern, related to the pure aluminium clusters, with the Ti atom in the surface, changes into a endohedral fcc-like pattern. The map of structural isomers, relative energy differences, second energy differences, and structural parameters were determined and analyzed. Moreover, we show the critical size depends on the net charge of the cluster, being different for the cationic clusters (n{sub c} = 21) and their neutral counterparts (n{sub c} = 20). For the Al {sub n} Ti {sup +} · Ar complexes, and for n < 21, the preferred Ar adsorption site is on top of the exohedral Ti atom, with adsorption energy in very good agreement with the experimental value. Instead, for n = 21, the Ar adsorption occurs on the top an Al atom with very low absorption energy. For all sizes the geometry of the Al{sub n}Ti{sup +} clusters keeps unaltered in the Ar-cluster complexes. This fact indicates that Ar adsorption does not influence the cluster structure, providing support to the experimental technique used. For n{sub c} = 21, the smallest size of endohedral Ti doped cationic clusters, the Ar binding energy decreases drastically, whereas the Ar-cluster distance increases substantially, point to Ar physisorption, as assumed by the experimentalists. Calculated Ar adsorption energies agree well with available experimental binding energies.« less

A density-based clustering model for community detection in complex networks

NASA Astrophysics Data System (ADS)

Zhao, Xiang; Li, Yantao; Qu, Zehui

2018-04-01

Network clustering (or graph partitioning) is an important technique for uncovering the underlying community structures in complex networks, which has been widely applied in various fields including astronomy, bioinformatics, sociology, and bibliometric. In this paper, we propose a density-based clustering model for community detection in complex networks (DCCN). The key idea is to find group centers with a higher density than their neighbors and a relatively large integrated-distance from nodes with higher density. The experimental results indicate that our approach is efficient and effective for community detection of complex networks.

Meta-atom cluster acoustic metamaterial with broadband negative effective mass density

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

Chen, Huaijun; Zhai, Shilong; Ding, Changlin

2014-02-07

We design a resonant meta-atom cluster, via which a two-dimensional (2D) acoustic metamaterial (AM) with broadband negative effective mass density from 1560 Hz to 5580 Hz is fabricated. Experimental results confirm that there is only weak interaction among the meta-atoms in the cluster. And then the meta-atoms in the cluster independently resonate, resulting in the cluster becoming equivalent to a broadband resonance unit. Extracted effective refractive indices from reflection and transmission measurements of the 2D AM appear to be negative from 1500 Hz to 5480 Hz. The broadband negative refraction has also been demonstrated by our further experiments. We expectmore » that this meta-atom cluster AM will significantly contribute to the design of broadband negative effective mass density AM.« less

Electronic damping of anharmonic adsorbate vibrations at metallic surfaces

NASA Astrophysics Data System (ADS)

Tremblay, Jean Christophe; Monturet, Serge; Saalfrank, Peter

2010-03-01

The nonadiabatic coupling of an adsorbate close to a metallic surface leads to electronic damping of adsorbate vibrations and line broadening in vibrational spectroscopy. Here, a perturbative treatment of the electronic contribution to the lifetime broadening serves as a building block for a new approach, in which anharmonic vibrational transition rates are calculated from a position-dependent coupling function. Different models for the coupling function will be tested, all related to embedding theory. The first two are models based on a scattering approach with (i) a jellium-type and (ii) a density functional theory based embedding density, respectively. In a third variant a further refined model is used for the embedding density, and a semiempirical approach is taken in which a scaling factor is chosen to match harmonic, single-site, first-principles transition rates, obtained from periodic density functional theory. For the example of hydrogen atoms on (adsorption) and below (subsurface absorption) a Pd(111) surface, lifetimes of and transition rates between vibrational levels are computed. The transition rates emerging from different models serve as input for the selective subsurface adsorption of hydrogen in palladium starting from an adsorption site, by using sequences of infrared laser pulses in a laser distillation scheme.

Adaptive density trajectory cluster based on time and space distance

NASA Astrophysics Data System (ADS)

Liu, Fagui; Zhang, Zhijie

2017-10-01

There are some hotspot problems remaining in trajectory cluster for discovering mobile behavior regularity, such as the computation of distance between sub trajectories, the setting of parameter values in cluster algorithm and the uncertainty/boundary problem of data set. As a result, based on the time and space, this paper tries to define the calculation method of distance between sub trajectories. The significance of distance calculation for sub trajectories is to clearly reveal the differences in moving trajectories and to promote the accuracy of cluster algorithm. Besides, a novel adaptive density trajectory cluster algorithm is proposed, in which cluster radius is computed through using the density of data distribution. In addition, cluster centers and number are selected by a certain strategy automatically, and uncertainty/boundary problem of data set is solved by designed weighted rough c-means. Experimental results demonstrate that the proposed algorithm can perform the fuzzy trajectory cluster effectively on the basis of the time and space distance, and obtain the optimal cluster centers and rich cluster results information adaptably for excavating the features of mobile behavior in mobile and sociology network.

A Comparison of Young Star Properties with Local Galactic Environment for LEGUS/LITTLE THINGS Dwarf Irregular Galaxies

NASA Astrophysics Data System (ADS)

Hunter, Deidre A.; Adamo, Angela; Elmegreen, Bruce G.; Gallardo, Samavarti; Lee, Janice C.; Cook, David O.; Thilker, David; Kayitesi, Bridget; Kim, Hwihyun; Kahre, Lauren; Ubeda, Leonardo; Bright, Stacey N.; Ryon, Jenna E.; Calzetti, Daniela; Tosi, Monica; Grasha, Kathryn; Messa, Matteo; Fumagalli, Michele; Dale, Daniel A.; Sabbi, Elena; Cignoni, Michele; Smith, Linda J.; Gouliermis, Dimitrios M.; Grebel, Eva K.; Aloisi, Alessandra; Whitmore, Bradley C.; Chandar, Rupali; Johnson, Kelsey E.

2018-07-01

We have explored the role environmental factors play in determining characteristics of young stellar objects in nearby dwarf irregular and blue compact dwarf galaxies. Star clusters are characterized by concentrations, masses, and formation rates; OB associations by mass and mass surface density; O stars by their numbers and near-ultraviolet absolute magnitudes; and H II regions by Hα surface brightnesses. These characteristics are compared to surrounding galactic pressure, stellar mass density, H I surface density, and star formation rate (SFR) surface density. We find no trend of cluster characteristics with environmental properties, implying that larger-scale effects are more important in determining cluster characteristics or that rapid dynamical evolution erases any memory of the initial conditions. On the other hand, the most massive OB associations are found at higher pressure and H I surface density, and there is a trend of higher H II region Hα surface brightness with higher pressure, suggesting that a higher concentration of massive stars and gas is found preferentially in regions of higher pressure. At low pressures we find massive stars but not bound clusters and OB associations. We do not find evidence for an increase of cluster formation efficiency as a function of SFR density. However, there is an increase in the ratio of the number of clusters to the number of O stars with increasing pressure, perhaps reflecting an increase in clustering properties with SFR.

Fast clustering using adaptive density peak detection.

PubMed

Wang, Xiao-Feng; Xu, Yifan

2017-12-01

Common limitations of clustering methods include the slow algorithm convergence, the instability of the pre-specification on a number of intrinsic parameters, and the lack of robustness to outliers. A recent clustering approach proposed a fast search algorithm of cluster centers based on their local densities. However, the selection of the key intrinsic parameters in the algorithm was not systematically investigated. It is relatively difficult to estimate the "optimal" parameters since the original definition of the local density in the algorithm is based on a truncated counting measure. In this paper, we propose a clustering procedure with adaptive density peak detection, where the local density is estimated through the nonparametric multivariate kernel estimation. The model parameter is then able to be calculated from the equations with statistical theoretical justification. We also develop an automatic cluster centroid selection method through maximizing an average silhouette index. The advantage and flexibility of the proposed method are demonstrated through simulation studies and the analysis of a few benchmark gene expression data sets. The method only needs to perform in one single step without any iteration and thus is fast and has a great potential to apply on big data analysis. A user-friendly R package ADPclust is developed for public use.

Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights

DOE PAGES

Lii-Rosales, Ann; Han, Yong; Evans, James W.; ...

2018-02-06

Here in this paper, we present an extensive experimental study of the conditions under which Cu forms encapsulated islands under the top surface layers of graphite, as a result of physical vapor deposition of Cu on argon-ion-bombarded graphite. When the substrate is held at 800 K during deposition, conditions are optimal for formation of encapsulated multilayer Cu islands. Deposition temperatures below 600 K favor adsorbed Cu clusters, while deposition temperatures above 800 K favor a different type of feature that is probably a single-layer intercalated Cu island. The multilayer Cu islands are characterized with respect to size and shape, thicknessmore » and continuity of the graphitic overlayer, relationship to graphite steps, and stability in air. The experimental techniques are scanning tunneling microscopy and X-ray photoelectron spectroscopy. We also present an extensive study using density functional theory to compare stabilities of a wide variety of configurations of Cu atoms, Cu clusters, and Cu layers on/under the graphite surface. The only configuration that is significantly more stable under the graphite surface than on top of it, is a single Cu atom. This analysis leads us to conclude that formation of encapsulated Cu islands is kinetically driven, rather than thermodynamically driven.« less

Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights

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

Lii-Rosales, Ann; Han, Yong; Evans, James W.

Here in this paper, we present an extensive experimental study of the conditions under which Cu forms encapsulated islands under the top surface layers of graphite, as a result of physical vapor deposition of Cu on argon-ion-bombarded graphite. When the substrate is held at 800 K during deposition, conditions are optimal for formation of encapsulated multilayer Cu islands. Deposition temperatures below 600 K favor adsorbed Cu clusters, while deposition temperatures above 800 K favor a different type of feature that is probably a single-layer intercalated Cu island. The multilayer Cu islands are characterized with respect to size and shape, thicknessmore » and continuity of the graphitic overlayer, relationship to graphite steps, and stability in air. The experimental techniques are scanning tunneling microscopy and X-ray photoelectron spectroscopy. We also present an extensive study using density functional theory to compare stabilities of a wide variety of configurations of Cu atoms, Cu clusters, and Cu layers on/under the graphite surface. The only configuration that is significantly more stable under the graphite surface than on top of it, is a single Cu atom. This analysis leads us to conclude that formation of encapsulated Cu islands is kinetically driven, rather than thermodynamically driven.« less

Density-based clustering analyses to identify heterogeneous cellular sub-populations

NASA Astrophysics Data System (ADS)

Heaster, Tiffany M.; Walsh, Alex J.; Landman, Bennett A.; Skala, Melissa C.

2017-02-01

Autofluorescence microscopy of NAD(P)H and FAD provides functional metabolic measurements at the single-cell level. Here, density-based clustering algorithms were applied to metabolic autofluorescence measurements to identify cell-level heterogeneity in tumor cell cultures. The performance of the density-based clustering algorithm, DENCLUE, was tested in samples with known heterogeneity (co-cultures of breast carcinoma lines). DENCLUE was found to better represent the distribution of cell clusters compared to Gaussian mixture modeling. Overall, DENCLUE is a promising approach to quantify cell-level heterogeneity, and could be used to understand single cell population dynamics in cancer progression and treatment.

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.

The Impact of Alcohol Outlet Density on the Geographic Clustering of Underage Drinking Behaviors within Census Tracts

PubMed Central

Reboussin, Beth A.; Song, Eun-Young; Wolfson, Mark

2011-01-01

Background The regulation of alcohol outlet density has been considered as a potential means of reducing alcohol consumption and related harms among underage youth. Whereas prior studies have examined whether alcohol outlet density was associated with an individual’s alcohol consumption and related harms, this study examines whether it is related to the co-occurrence, or clustering, of these behaviors within geographic areas, specifically census tracts. Methods The Enforcing Underage Drinking Laws Randomized Community Trial provided cross-sectional telephone survey data in 2006 and 2007 from 10,754 youth aged 14–20 from 5 states residing in 1556 census tracts. The alternating logistic regression approach was used to estimate pairwise odds ratios between responses from youth residing in the same census tract and to model them as a function of alcohol outlet density. Results Riding with a drinking driver, making an alcohol purchase attempt and making a successful alcohol purchase attempt clustered significantly within census tracts with the highest off-premise alcohol outlet density while frequent drinking clustered within census tracts with the greatest on-premise density. Driving after drinking and experiencing non-violent alcohol-related consequences clustered marginally within census tracts with the greatest on-premise and off-premise alcohol outlet density, respectively. Conclusions Although youth primarily receive alcohol from social sources, commercial alcohol access is geographically concentrated within census tracts with the greatest off-premise outlet density. A potentially greater concern is the clustering of more frequent drinking and drinking and driving within census tracts with the greatest on-premise outlet density which may necessitate alternative census tract level initiatives to reduce these potentially harmful behaviors. PMID:21463343

Exploring packaging strategies of nano-embedded thermoelectric generators

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

Singha, Aniket; Muralidharan, Bhaskaran, E-mail: bm@ee.iitb.ac.in; Mahanti, Subhendra D.

2015-10-15

Embedding nanostructures within a bulk matrix is an important practical approach towards the electronic engineering of high performance thermoelectric systems. For power generation applications, it ideally combines the efficiency benefit offered by low dimensional systems along with the high power output advantage offered by bulk systems. In this work, we uncover a few crucial details about how to embed nanowires and nanoflakes in a bulk matrix so that an overall advantage over pure bulk may be achieved. First and foremost, we point out that a performance degradation with respect to bulk is inevitable as the nanostructure transitions to a multimore » moded one. It is then shown that a nano embedded system of suitable cross-section offers a power density advantage over a wide range of efficiencies at higher packing fractions, and this range gradually narrows down to the high efficiency regime, as the packing fraction is reduced. Finally, we introduce a metric - the advantage factor, to elucidate quantitatively, the enhancement in the power density offered via nano-embedding at a given efficiency. In the end, we explore the maximum effective width of nano-embedding which serves as a reference in designing generators in the efficiency range of interest.« less

Dynamical mean-field theory, density-matrix embedding theory, and rotationally invariant slave bosons: A unified perspective

DOE PAGES

Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel

2017-12-26

In this paper, we present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. Finally, this relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.

Dynamical mean-field theory, density-matrix embedding theory, and rotationally invariant slave bosons: A unified perspective

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

Ayral, Thomas; Lee, Tsung-Han; Kotliar, Gabriel

In this paper, we present a unified perspective on dynamical mean-field theory (DMFT), density-matrix embedding theory (DMET), and rotationally invariant slave bosons (RISB). We show that DMET can be regarded as a simplification of the RISB method where the quasiparticle weight is set to unity. Finally, this relation makes it easy to transpose extensions of a given method to another: For instance, a temperature-dependent version of RISB can be used to derive a temperature-dependent free-energy formula for DMET.

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.

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.

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.

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.

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

A clustering algorithm for determining community structure in complex networks

NASA Astrophysics Data System (ADS)

Jin, Hong; Yu, Wei; Li, ShiJun

2018-02-01

Clustering algorithms are attractive for the task of community detection in complex networks. DENCLUE is a representative density based clustering algorithm which has a firm mathematical basis and good clustering properties allowing for arbitrarily shaped clusters in high dimensional datasets. However, this method cannot be directly applied to community discovering due to its inability to deal with network data. Moreover, it requires a careful selection of the density parameter and the noise threshold. To solve these issues, a new community detection method is proposed in this paper. First, we use a spectral analysis technique to map the network data into a low dimensional Euclidean Space which can preserve node structural characteristics. Then, DENCLUE is applied to detect the communities in the network. A mathematical method named Sheather-Jones plug-in is chosen to select the density parameter which can describe the intrinsic clustering structure accurately. Moreover, every node on the network is meaningful so there were no noise nodes as a result the noise threshold can be ignored. We test our algorithm on both benchmark and real-life networks, and the results demonstrate the effectiveness of our algorithm over other popularity density based clustering algorithms adopted to community detection.

The impact of baryons on massive galaxy clusters: halo structure and cluster mass estimates

NASA Astrophysics Data System (ADS)

Henson, Monique A.; Barnes, David J.; Kay, Scott T.; McCarthy, Ian G.; Schaye, Joop

2017-03-01

We use the BAHAMAS (BAryons and HAloes of MAssive Systems) and MACSIS (MAssive ClusterS and Intercluster Structures) hydrodynamic simulations to quantify the impact of baryons on the mass distribution and dynamics of massive galaxy clusters, as well as the bias in X-ray and weak lensing mass estimates. These simulations use the subgrid physics models calibrated in the BAHAMAS project, which include feedback from both supernovae and active galactic nuclei. They form a cluster population covering almost two orders of magnitude in mass, with more than 3500 clusters with masses greater than 1014 M⊙ at z = 0. We start by characterizing the clusters in terms of their spin, shape and density profile, before considering the bias in both weak lensing and hydrostatic mass estimates. Whilst including baryonic effects leads to more spherical, centrally concentrated clusters, the median weak lensing mass bias is unaffected by the presence of baryons. In both the dark matter only and hydrodynamic simulations, the weak lensing measurements underestimate cluster masses by ≈10 per cent for clusters with M200 ≤ 1015 M⊙ and this bias tends to zero at higher masses. We also consider the hydrostatic bias when using both the true density and temperature profiles, and those derived from X-ray spectroscopy. When using spectroscopic temperatures and densities, the hydrostatic bias decreases as a function of mass, leading to a bias of ≈40 per cent for clusters with M500 ≥ 1015 M⊙. This is due to the presence of cooler gas in the cluster outskirts. Using mass weighted temperatures and the true density profile reduces this bias to 5-15 per cent.

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

The Damping Rates of Embedded Oscillating Starless Cores

NASA Astrophysics Data System (ADS)

Broderick, Avery E.; Narayan, Ramesh; Keto, Eric; Lada, Charles J.

2008-08-01

In a previous paper we demonstrated that nonradial hydrodynamic oscillations of a thermally supported (Bonnor-Ebert) sphere embedded in a low-density, high-temperature medium persist for many periods. The predicted column density variations and molecular spectral line profiles are similar to those observed in the Bok globule B68, suggesting that the motions in some starless cores may be oscillating perturbations on a thermally supported equilibrium structure. Such oscillations can produce molecular line maps which mimic rotation, collapse, or expansion and, thus, could make determining the dynamical state from such observations alone difficult. However, while B68 is embedded in a very hot, low-density medium, many starless cores are not, having interior/exterior density contrasts closer to unity. In this paper we investigate the oscillation damping rate as a function of the exterior density. For concreteness we use the same interior model employed by Broderick et al., with varying models for the exterior gas. We also develop a simple analytical formalism, based on the linear perturbation analysis of the oscillations, which predicts the contribution to the damping rates due to the excitation of sound waves in the external medium. We find that the damping rate of oscillations on globules in dense molecular environments is always many periods, corresponding to hundreds of thousands of years and persisting over the inferred lifetimes of the globules.

Fe and Co nanostructures embedded into the Cu(100) surface: Self-Organization and magnetic properties

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

Kolesnikov, S. V., E-mail: kolesnikov@physics.msu.ru; Klavsyuk, A. L.; Saletsky, A. M.

The self-organization and magnetic properties of small iron and cobalt nanostructures embedded into the first layer of a Cu(100) surface are investigated using the self-learning kinetic Monte Carlo method and density functional theory. The similarities and differences between the Fe/Cu(100) and the Co/Cu(100) are underlined. The time evolution of magnetic properties of a copper monolayer with embedded magnetic atoms at 380 K is discussed.

Imprints of feedback in young gasless clusters?

NASA Astrophysics Data System (ADS)

Parker, Richard J.; Dale, James E.

2013-06-01

We present the results of N-body simulations in which we take the masses, positions and velocities of sink particles from five pairs of hydrodynamical simulations of star formation by Dale et al. and evolve them for further 10 Myr. We compare the dynamical evolution of star clusters that formed under the influence of mass-loss driven by photoionization feedback to the evolution of clusters that formed without feedback. We remove any remaining gas and follow the evolution of structure in the clusters (measured by the Q-parameter), half-mass radius, central density, surface density and the fraction of bound stars. There is little discernible difference in the evolution of clusters that formed with feedback compared to those that formed without. The only clear trend is that all clusters which form without feedback in the hydrodynamical simulations lose any initial structure over 10 Myr, whereas some of the clusters which form with feedback retain structure for the duration of the subsequent N-body simulation. This is due to lower initial densities (and hence longer relaxation times) in the clusters from Dale et al. which formed with feedback, which prevents dynamical mixing from erasing substructure. However, several other conditions (such as supervirial initial velocities) also preserve substructure, so at a given epoch one would require knowledge of the initial density and virial state of the cluster in order to determine whether star formation in a cluster has been strongly influenced by feedback.

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.

An extended affinity propagation clustering method based on different data density types.

PubMed

Zhao, XiuLi; Xu, WeiXiang

2015-01-01

Affinity propagation (AP) algorithm, as a novel clustering method, does not require the users to specify the initial cluster centers in advance, which regards all data points as potential exemplars (cluster centers) equally and groups the clusters totally by the similar degree among the data points. But in many cases there exist some different intensive areas within the same data set, which means that the data set does not distribute homogeneously. In such situation the AP algorithm cannot group the data points into ideal clusters. In this paper, we proposed an extended AP clustering algorithm to deal with such a problem. There are two steps in our method: firstly the data set is partitioned into several data density types according to the nearest distances of each data point; and then the AP clustering method is, respectively, used to group the data points into clusters in each data density type. Two experiments are carried out to evaluate the performance of our algorithm: one utilizes an artificial data set and the other uses a real seismic data set. The experiment results show that groups are obtained more accurately by our algorithm than OPTICS and AP clustering algorithm itself.

Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory

DTIC Science & Technology

2017-05-04

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9723 Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular...Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory L. Huang, S.G. Lambrakos, and L. Massa1 Naval Research Laboratory, Code...and time-dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in

Time dependent density functional calculation of plasmon response in clusters

NASA Astrophysics Data System (ADS)

Wang, Feng; Zhang, Feng-Shou; Eric, Suraud

2003-02-01

We have introduced a theoretical scheme for the efficient description of the optical response of a cluster based on the time-dependent density functional theory. The practical implementation is done by means of the fully fledged time-dependent local density approximation scheme, which is solved directly in the time domain without any linearization. As an example we consider the simple Na2 cluster and compute its surface plasmon photoabsorption cross section, which is in good agreement with the experiments.

UV TO FAR-IR CATALOG OF A GALAXY SAMPLE IN NEARBY CLUSTERS: SPECTRAL ENERGY DISTRIBUTIONS AND ENVIRONMENTAL TRENDS

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

Hernandez-Fernandez, Jonathan D.; Iglesias-Paramo, J.; Vilchez, J. M., E-mail: jonatan@iaa.es

2012-03-01

In this paper, we present a sample of cluster galaxies devoted to study the environmental influence on the star formation activity. This sample of galaxies inhabits in clusters showing a rich variety in their characteristics and have been observed by the SDSS-DR6 down to M{sub B} {approx} -18, and by the Galaxy Evolution Explorer AIS throughout sky regions corresponding to several megaparsecs. We assign the broadband and emission-line fluxes from ultraviolet to far-infrared to each galaxy performing an accurate spectral energy distribution for spectral fitting analysis. The clusters follow the general X-ray luminosity versus velocity dispersion trend of L{sub X}more » {proportional_to} {sigma}{sup 4.4}{sub c}. The analysis of the distributions of galaxy density counting up to the 5th nearest neighbor {Sigma}{sub 5} shows: (1) the virial regions and the cluster outskirts share a common range in the high density part of the distribution. This can be attributed to the presence of massive galaxy structures in the surroundings of virial regions. (2) The virial regions of massive clusters ({sigma}{sub c} > 550 km s{sup -1}) present a {Sigma}{sub 5} distribution statistically distinguishable ({approx}96%) from the corresponding distribution of low-mass clusters ({sigma}{sub c} < 550 km s{sup -1}). Both massive and low-mass clusters follow a similar density-radius trend, but the low-mass clusters avoid the high density extreme. We illustrate, with ABELL 1185, the environmental trends of galaxy populations. Maps of sky projected galaxy density show how low-luminosity star-forming galaxies appear distributed along more spread structures than their giant counterparts, whereas low-luminosity passive galaxies avoid the low-density environment. Giant passive and star-forming galaxies share rather similar sky regions with passive galaxies exhibiting more concentrated distributions.« less

The Richness Dependence of Galaxy Cluster Correlations: Results From A Redshift Survey Of Rich APM Clusters

NASA Technical Reports Server (NTRS)

Croft, R. A. C.; Dalton, G. B.; Efstathiou, G.; Sutherland, W. J.; Maddox, S. J.

1997-01-01

We analyze the spatial clustering properties of a new catalog of very rich galaxy clusters selected from the APM Galaxy Survey. These clusters are of comparable richness and space density to Abell Richness Class greater than or equal to 1 clusters, but selected using an objective algorithm from a catalog demonstrably free of artificial inhomogeneities. Evaluation of the two-point correlation function xi(sub cc)(r) for the full sample and for richer subsamples reveals that the correlation amplitude is consistent with that measured for lower richness APM clusters and X-ray selected clusters. We apply a maximum likelihood estimator to find the best fitting slope and amplitude of a power law fit to x(sub cc)(r), and to estimate the correlation length r(sub 0) (the value of r at which xi(sub cc)(r) is equal to unity). For clusters with a mean space density of 1.6 x 10(exp -6) h(exp 3) MpC(exp -3) (equivalent to the space density of Abell Richness greater than or equal to 2 clusters), we find r(sub 0) = 21.3(+11.1/-9.3) h(exp -1) Mpc (95% confidence limits). This is consistent with the weak richness dependence of xi(sub cc)(r) expected in Gaussian models of structure formation. In particular, the amplitude of xi(sub cc)(r) at all richnesses matches that of xi(sub cc)(r) for clusters selected in N-Body simulations of a low density Cold Dark Matter model.

Source clustering in the Hi-GAL survey determined using a minimum spanning tree method

NASA Astrophysics Data System (ADS)

Beuret, M.; Billot, N.; Cambrésy, L.; Eden, D. J.; Elia, D.; Molinari, S.; Pezzuto, S.; Schisano, E.

2017-01-01

Aims: The aims are to investigate the clustering of the far-infrared sources from the Herschel infrared Galactic Plane Survey (Hi-GAL) in the Galactic longitude range of -71 to 67 deg. These clumps, and their spatial distribution, are an imprint of the original conditions within a molecular cloud. This will produce a catalogue of over-densities. Methods: The minimum spanning tree (MST) method was used to identify the over-densities in two dimensions. The catalogue was further refined by folding in heliocentric distances, resulting in more reliable over-densities, which are cluster candidates. Results: We found 1633 over-densities with more than ten members. Of these, 496 are defined as cluster candidates because of the reliability of the distances, with a further 1137 potential cluster candidates. The spatial distributions of the cluster candidates are different in the first and fourth quadrants, with all clusters following the spiral structure of the Milky Way. The cluster candidates are fractal. The clump mass functions of the clustered and isolated are statistically indistinguishable from each other and are consistent with Kroupa's initial mass function. Hi-GAL is a key-project of the Herschel Space Observatory survey (Pilbratt et al. 2010) and uses the PACS (Poglitsch et al. 2010) and SPIRE (Griffin et al. 2010) cameras in parallel mode.The catalogues of cluster candidates and potential clusters 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/597/A114

Structure and stability in TMC-1: Analysis of NH3 molecular line and Herschel continuum data

NASA Astrophysics Data System (ADS)

Fehér, O.; Tóth, L. V.; Ward-Thompson, D.; Kirk, J.; Kraus, A.; Pelkonen, V.-M.; Pintér, S.; Zahorecz, S.

2016-05-01

Aims: We examined the velocity, density, and temperature structure of Taurus molecular cloud-1 (TMC-1), a filamentary cloud in a nearby quiescent star forming area, to understand its morphology and evolution. Methods: We observed high signal-to-noise (S/N), high velocity resolution NH3(1,1), and (2, 2) emission on an extended map. By fitting multiple hyperfine-split line profiles to the NH3(1, 1) spectra, we derived the velocity distribution of the line components and calculated gas parameters on several positions. Herschel SPIRE far-infrared continuum observations were reduced and used to calculate the physical parameters of the Planck Galactic Cold Clumps (PGCCs) in the region, including the two in TMC-1. The morphology of TMC-1 was investigated with several types of clustering methods in the parameter space consisting of position, velocity, and column density. Results: Our Herschel-based column density map shows a main ridge with two local maxima and a separated peak to the south-west. The H2 column densities and dust colour temperatures are in the range of 0.5-3.3 × 1022 cm-2 and 10.5-12 K, respectively. The NH3 column densities and H2 volume densities are in the range of 2.8-14.2 × 1014 cm-2 and 0.4-2.8 × 104 cm-3. Kinetic temperatures are typically very low with a minimum of 9 K at the maximum NH3 and H2 column density region. The kinetic temperature maximum was found at the protostar IRAS 04381+2540 with a value of 13.7 K. The kinetic temperatures vary similarly to the colour temperatures in spite of the fact that densities are lower than the critical density for coupling between the gas and dust phase. The k-means clustering method separated four sub-filaments in TMC-1 with masses of 32.5, 19.6, 28.9, and 45.9 M⊙ and low turbulent velocity dispersion in the range of 0.13-0.2 km s-1. Conclusions: The main ridge of TMC-1 is composed of four sub-filaments that are close to gravitational equilibrium. We label these TMC-1F1 through F4. The sub-filaments TMC-1F1, TMC-1F2, and TMC-1F4 are very elongated, dense, and cold. TMC-1F3 is a little less elongated and somewhat warmer, and probably heated by the Class I protostar, IRAS 04381+2540, which is embedded in it. TMC-1F3 is approximately 0.1 pc behind TMC1-F1. Because of its structure, TMC-1 is a good target to test filament evolution scenarios.

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.

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.

The Evaporation and Survival of Cluster Galaxy Coronae. I. The Effectiveness of Isotropic Thermal Conduction Including Saturation

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

Vijayaraghavan, Rukmani; Sarazin, Craig, E-mail: rukmani@virginia.edu

We simulate the evolution of cluster galaxy hot interstellar medium (ISM) gas that is a result of the effects of ram pressure and thermal conduction in the intracluster medium (ICM). At the density and temperature of the ICM, the mean free paths of ICM electrons are comparable to the sizes of galaxies, therefore electrons can efficiently transport heat that is due to thermal conduction from the hot ICM to the cooler ISM. Galaxies consisting of dark matter halos and hot gas coronae are embedded in an ICM-like “wind tunnel” in our simulations. In this paper, we assume that thermal conductionmore » is isotropic and include the effects of saturation. We find that as heat is transferred from the ICM to the ISM, the cooler denser ISM expands and evaporates. This process is significantly faster than gas loss due to ram pressure stripping; for our standard model galaxy, the evaporation time is 160 Myr, while the ram pressure stripping timescale is 2.5 Gyr. Thermal conduction also suppresses the formation of shear instabilities, and there are no stripped ISM tails since the ISM evaporates before tails can form. Observations of long-lived X-ray emitting coronae and ram pressure stripped X-ray tails in galaxies in group and cluster environments therefore require that thermal conduction is suppressed or offset by some additional physical process. The most likely process is anisotropic thermal conduction that is due to magnetic fields in the ISM and ICM, which we simulate and study in the next paper in this series.« less

Characterizing the W40 Cluster Region with the UKIDSS Galactic Plane Survey

NASA Astrophysics Data System (ADS)

Yu, Ka Chun; Shuping, Ralph

2018-01-01

W40 is a region of thermal radio continuum emission in the Aquila Rift, and is one of only a few high-mass star forming regions within 1 kpc of the Sun. We use the Galactic Plane Survey from the UKIDDS Data Release 10 in JHK to study the stellar population in a 30' x 30' field centered on the W40 star-forming region. With imaging deeper than previous surveys (down to a depth of K=18), we identify ~1500 stars with K-band excess that are likely young stars with protostellar disks (Class II-III), more than has been found in previous surveys of this region. We use the NIR photometry of ~50,000 stars to create a high resolution 0.5' optical extinction map, which is used in conjunction with nearby control fields to assess contamination by background sources. Like in previous studies, we find an embedded cluster of reddened sources centered on the handful of late-O/early-B type stars at the center of W40. We fit their spatial distribution using a 2D gaussian profile with $\\sigma$ ~ 1' (0.37 pc at a distance of 440 pc), and a central stellar density of 510 stars/pc^2. After removing foreground stars, we identify 217 total stars within $3\\sigma$ of the cluster center, of which ~100 have K-band excess indicative of Class II-III YSOs, consistent with previous work. We discuss possible background contamination as well as the spatial distribution of young stars throughout the region.

The Evaporation and Survival of Cluster Galaxy Coronae. I. The Effectiveness of Isotropic Thermal Conduction Including Saturation

NASA Astrophysics Data System (ADS)

Vijayaraghavan, Rukmani; Sarazin, Craig

2017-05-01

We simulate the evolution of cluster galaxy hot interstellar medium (ISM) gas that is a result of the effects of ram pressure and thermal conduction in the intracluster medium (ICM). At the density and temperature of the ICM, the mean free paths of ICM electrons are comparable to the sizes of galaxies, therefore electrons can efficiently transport heat that is due to thermal conduction from the hot ICM to the cooler ISM. Galaxies consisting of dark matter halos and hot gas coronae are embedded in an ICM-like “wind tunnel” in our simulations. In this paper, we assume that thermal conduction is isotropic and include the effects of saturation. We find that as heat is transferred from the ICM to the ISM, the cooler denser ISM expands and evaporates. This process is significantly faster than gas loss due to ram pressure stripping; for our standard model galaxy, the evaporation time is 160 Myr, while the ram pressure stripping timescale is 2.5 Gyr. Thermal conduction also suppresses the formation of shear instabilities, and there are no stripped ISM tails since the ISM evaporates before tails can form. Observations of long-lived X-ray emitting coronae and ram pressure stripped X-ray tails in galaxies in group and cluster environments therefore require that thermal conduction is suppressed or offset by some additional physical process. The most likely process is anisotropic thermal conduction that is due to magnetic fields in the ISM and ICM, which we simulate and study in the next paper in this series.

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.

The Gas Distribution in the Outer Regions of Galaxy Clusters

NASA Technical Reports Server (NTRS)

Eckert, D.; Vazza, F.; Ettori, S.; Molendi, S.; Nagai, D.; Lau, E. T.; Roncarelli, M.; Rossetti, M.; Snowden, L.; Gastaldello, F.

2012-01-01

Aims. We present our analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We have exploited the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius, We stacked the density profiles to detect a signal beyond T200 and measured the typical density and scatter in cluster outskirts. We also computed the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compared our average density and scatter profiles with the results of numerical simulations. Results. As opposed to some recent Suzaku results, and confirming previous evidence from ROSAT and Chandra, we observe a steepening of the density profiles beyond approximately r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict density profiles that are too steep, whereas runs including additional physics and/ or treating gas clumping agree better with the observed gas distribution. We report high-confidence detection of a systematic difference between cool-core and non cool-core clusters beyond approximately 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond approximately r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only small differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the ENZO simulations. Conclusions. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Although their general behavior agrees more closely with the observations, simulations including cooling and star formation convert a large amount of gas into stars, which results in a low gas fraction with respect to the observations. Consequently, a detailed treatment of gas cooling, star formation, AGN feedback, and consideration of gas clumping is required to construct realistic models of the outer regions of clusters.

The Gas Distribution in Galaxy Cluster Outer Regions

NASA Technical Reports Server (NTRS)

Eckert, D.; Vazza, F.; Ettori, S.; Molendi, S.; Nagai, D.; Laue, E. T.; Roncarelli, M.; Rossetti, M.; Snowden, S. L.; Gastaldello, F.

2012-01-01

Aims. We present the analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We exploit the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius. We perform a stacking of the density profiles to detect a signal beyond r200 and measure the typical density and scatter in cluster outskirts. We also compute the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compare our average density and scatter profiles with the results of numerical simulations. Results. As opposed to some recent Suzaku results, and confirming previous evidence from ROSAT and Chandra, we observe a steepening of the density profiles beyond approximately r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict too steep density profiles, whereas runs including additional physics and/or treating gas clumping are in better agreement with the observed gas distribution. We report for the first time the high-confidence detection of a systematic difference between cool-core and non-cool core clusters beyond 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only little differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the simulations. Conclusions. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Although their general behavior is in better agreement with the observations, simulations including cooling and star formation convert a large amount of gas into stars, which results in a low gas fraction with respect to the observations. Consequently, a detailed treatment of gas cooling, star formation, AGN feedback, and taking into account gas clumping is required to construct realistic models of cluster outer regions.

MACS: The impact of environment on galaxy evolution at z>0.5

NASA Astrophysics Data System (ADS)

Ma, Cheng-Jiun

2010-08-01

In order to investigate galaxy evolution in environments of greatly varying density, we conduct an extensive spectroscopic survey of galaxies in eight X-ray luminous clusters at redshift higher than 0.5. Unlike most spectroscopic surveys of cluster galaxies, we sample the galaxy population beyond the virial radius of each cluster (out to ˜6 Mpc), thereby probing regions that differ by typically two orders of magnitude in galaxy density. Galaxies are classified by spectroscopic type into emission-line, absorption-line, post starburst (E+A), and starburst (e(a) and e(b)) galaxies, and the spatial distribution of each type is used as a diagnostic of the presence and efficiency of different physical mechanisms of galaxy evolution. Our analysis yields the perhaps strongest confirmation so far of the morphology-density relation for emission- and absorption-line galaxies. In addition, we find E+A galaxies to be exclusively located within the ram-pressure stripping radius of each cluster. Taking advantage of this largest sample of E+A galaxies in clusters compiled to date, the spatial profile of the distribution of E+A galaxies can be studied for the first time. We show that ram-pressure stripping is the dominant, and possibly only, physical mechanism to cause the post-starburst phase of cluster galaxies. In addition, two particular interesting clusters are studied individually. For MACS J0717.5+3745, a clear morphology-density correlation is observed for lenticular (S0) galaxies around this cluster, but becomes insignificant toward the center of cluster. We interpret this finding as evidence of the creation of S0s being triggered primarily in environments of low to intermediate density. In MACS J0025.4-1225, a cluster undergoing a major merger, all faint E+A galaxies are observed to lie near the peak of the X-ray surface brightness, strongly suggesting that starbursts are enhanced as well as terminated during cluster mergers. We conclude that ram-pressure stripping and/or tidal destruction are central to the evolution of galaxies clusters, and that wide-field spectroscopic surveys around clusters are essential to distinguish between competing physical effects driving galaxy evolution in different environments.

THE SPITZER SPACE TELESCOPE SURVEY OF THE ORION A AND B MOLECULAR CLOUDS. II. THE SPATIAL DISTRIBUTION AND DEMOGRAPHICS OF DUSTY YOUNG STELLAR OBJECTS

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

Megeath, S. T.; Kryukova, E.; Gutermuth, R.

2016-01-15

We analyze the spatial distribution of dusty young stellar objects (YSOs) identified in the Spitzer Survey of the Orion Molecular clouds, augmenting these data with Chandra X-ray observations to correct for incompleteness in dense clustered regions. We also devise a scheme to correct for spatially varying incompleteness when X-ray data are not available. The local surface densities of the YSOs range from 1 pc{sup −2} to over 10,000 pc{sup −2}, with protostars tending to be in higher density regions. This range of densities is similar to other surveyed molecular clouds with clusters, but broader than clouds without clusters. By identifyingmore » clusters and groups as continuous regions with surface densities ≥10 pc{sup −2}, we find that 59% of the YSOs are in the largest cluster, the Orion Nebula Cluster (ONC), while 13% of the YSOs are found in a distributed population. A lower fraction of protostars in the distributed population is evidence that it is somewhat older than the groups and clusters. An examination of the structural properties of the clusters and groups shows that the peak surface densities of the clusters increase approximately linearly with the number of members. Furthermore, all clusters with more than 70 members exhibit asymmetric and/or highly elongated structures. The ONC becomes azimuthally symmetric in the inner 0.1 pc, suggesting that the cluster is only ∼2 Myr in age. We find that the star formation efficiency (SFE) of the Orion B cloud is unusually low, and that the SFEs of individual groups and clusters are an order of magnitude higher than those of the clouds. Finally, we discuss the relationship between the young low mass stars in the Orion clouds and the Orion OB 1 association, and we determine upper limits to the fraction of disks that may be affected by UV radiation from OB stars or dynamical interactions in dense, clustered regions.« less

Irradiation-induced microchemical changes in highly irradiated 316 stainless steel

NASA Astrophysics Data System (ADS)

Fujii, K.; Fukuya, K.

2016-02-01

Cold-worked 316 stainless steel specimens irradiated to 74 dpa in a pressurized water reactor (PWR) were analyzed by atom probe tomography (APT) to extend knowledge of solute clusters and segregation at higher doses. The analyses confirmed that those clusters mainly enriched in Ni-Si or Ni-Si-Mn were formed at high number density. The clusters were divided into three types based on their size and Mn content; small Ni-Si clusters (3-4 nm in diameter), and large Ni-Si and Ni-Si-Mn clusters (8-10 nm in diameter). The total cluster number density was 7.7 × 1023 m-3. The fraction of large clusters was almost 1/10 of the total density. The average composition (in at%) for small clusters was: Fe, 54; Cr, 12; Mn, 1; Ni, 22; Si, 11; Mo, 1, and for large clusters it was: Fe, 44; Cr, 9; Mn, 2; Ni, 29; Si, 14; Mo,1. It was likely that some of the Ni-Si clusters correspond to γ‧ phase precipitates while the Ni-Si-Mn clusters were precursors of G phase precipitates. The APT analyses at grain boundaries confirmed enrichment of Ni, Si, P and Cu and depletion of Fe, Cr, Mo and Mn. The segregation behavior was consistent with previous knowledge of radiation induced segregation.

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.

Floating gate memory with charge storage dots array formed by Dps protein modified with site-specific binding peptides

NASA Astrophysics Data System (ADS)

Kamitake, Hiroki; Uenuma, Mutsunori; Okamoto, Naofumi; Horita, Masahiro; Ishikawa, Yasuaki; Yamashita, Ichro; Uraoka, Yukiharu

2015-05-01

We report a nanodot (ND) floating gate memory (NFGM) with a high-density ND array formed by a biological nano process. We utilized two kinds of cage-shaped proteins displaying SiO2 binding peptide (minTBP-1) on their outer surfaces: ferritin and Dps, which accommodate cobalt oxide NDs in their cavities. The diameters of the cobalt NDs were regulated by the cavity sizes of the proteins. Because minTBP-1 is strongly adsorbed on the SiO2 surface, high-density cobalt oxide ND arrays were obtained by a simple spin coating process. The densities of cobalt oxide ND arrays based on ferritin and Dps were 6.8 × 1011 dots cm-2 and 1.2 × 1012 dots cm-2, respectively. After selective protein elimination and embedding in a metal-oxide-semiconductor (MOS) capacitor, the charge capacities of both ND arrays were evaluated by measuring their C-V characteristics. The MOS capacitor embedded with the Dps ND array showed a wider memory window than the device embedded with the ferritin ND array. Finally, we fabricated an NFGM with a high-density ND array based on Dps, and confirmed its competent writing/erasing characteristics and long retention time.

Fabrication of a smart air intake structure using shape memory alloy wire embedded composite

NASA Astrophysics Data System (ADS)

Jung, Beom-Seok; Kim, Min-Saeng; Kim, Ji-Soo; Kim, Yun-Mi; Lee, Woo-Yong; Ahn, Sung-Hoon

2010-05-01

Shape memory alloys (SMAs) have been actively studied in many fields utilizing their high energy density. Applying SMA wire-embedded composite to aerospace structures, such as air intake of jet engines and guided missiles, is attracting significant attention because it could generate a comparatively large actuating force. In this research, a scaled structure of SMA wire-embedded composite was fabricated for the air intake of aircraft. The structure was composed of several prestrained Nitinol (Ni-Ti) SMA wires embedded in ∩-shape glass fabric reinforced plastic (GFRP), and it was cured at room temperature for 72 h. The SMA wire-embedded GFRP could be actuated by applying electric current through the embedded SMA wires. The activation angle generated from the composite structure was large enough to make a smart air intake structure.

The environmental impacts on the star formation main sequence: An Hα study of the newly discovered rich cluster at z = 1.52

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

Koyama, Yusei; Kodama, Tadayuki; Tadaki, Ken-ichi

2014-07-01

We report the discovery of a strong over-density of galaxies in the field of a radio galaxy at z = 1.52 (4C 65.22) based on our broadband and narrow-band (Hα) photometry with the Subaru Telescope. We find that Hα emitters are located in the outskirts of the density peak (cluster core) dominated by passive red-sequence galaxies. This resembles the situation in lower-redshift clusters, suggesting that the newly discovered structure is a well-evolved rich galaxy cluster at z = 1.5. Our data suggest that the color-density and stellar mass-density relations are already in place at z ∼ 1.5, mostly driven bymore » the passive red massive galaxies residing within r{sub c} ≲ 200 kpc from the cluster core. These environmental trends almost disappear when we consider only star-forming (SF) galaxies. We do not find SFR-density or SSFR-density relations amongst SF galaxies, and the location of the SF main sequence does not significantly change with environment. Nevertheless, we find a tentative hint that star-bursting galaxies (up-scattered objects from the main sequence) are preferentially located in a small group at ∼1 Mpc away from the main body of the cluster. We also argue that the scatter of the SF main sequence could be dependent on the distance to the nearest neighboring galaxy.« less

Nucleation and growth of Ag on Sb-terminated Ge( 1 0 0 )

NASA Astrophysics Data System (ADS)

Chan, L. H.; Altman, E. I.

2002-06-01

The effect of Sb on Ag growth on Ge(1 0 0) was characterized using scanning tunneling microscopy, low energy electron diffraction, and Auger electron spectroscopy. Silver was found to immediately form three-dimensional clusters on the Sb-covered surface over the entire temperature range studied (320-570 K), thus the growth was Volmer-Weber. Regardless of the deposition conditions, there was no evidence that Sb segregated to the Ag surface, despite Sb having a lower surface tension than either Ag or Ge. The failure of Sb to segregate to the surface could be understood in terms of the much stronger interaction between Sb and Ge versus Ag and Ge creating a driving force to maintain an Sb-Ge interface. Silver nucleation on Sb/Ge(1 0 0) was characterized by measuring the Ag cluster density as a function of deposition rate. The results revealed that the cluster density was nearly independent of the deposition rate below 420 K, indicating that heterogeneous nucleation at defects in the Sb-terminated surface competed with homogeneous nucleation. At higher temperatures, the defects were less effective in trapping diffusing Ag atoms and the dependence of the cluster density on deposition rate suggested a critical size of at least two. For temperatures above 420 K, the Ag diffusion barrier plus the dissociation energy of the critical cluster was estimated by measuring the cluster density as a function of temperature; the results suggested a value of 0.84±0.1 eV which is significantly higher than values reported for Ag nucleation on Sb-free surfaces. In comparison to the bare Ge surface, Ag formed a higher density of smaller, lower clusters when Sb was present. Below 420 K the higher cluster density could be attributed to nucleation at defects in the Sb layer while at higher temperatures the high diffusion barrier restricted the cluster size and density. Although Sb does not act as a surfactant in this system since it does not continuously float to the surface and the growth is not layer-by-layer, adding Sb was found to be useful in limiting the Ag cluster size and height which led to smoother, more continuous Ag films and in preventing the formation of metastable Ag-Ge surface alloys.

Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions.

PubMed

Ramos, Pablo; Papadakis, Markos; Pavanello, Michele

2015-06-18

We have carried out a thorough benchmark of the frozen density-embedding (FDE) method for calculating hole transfer couplings. We have considered 10 exchange-correlation functionals, 3 nonadditive kinetic energy functionals, and 3 basis sets. Overall, we conclude that with a 7% mean relative unsigned error, the PBE and PW91 functionals coupled with the PW91k nonadditive kinetic energy functional and a TZP basis set constitute the most stable and accurate levels of theory for hole transfer coupling calculations. The FDE-ET method is found to be an excellent tool for computing diabatic couplings for hole transfer reactions.

The Halo Boundary of Galaxy Clusters in the SDSS

NASA Astrophysics Data System (ADS)

Baxter, Eric; Chang, Chihway; Jain, Bhuvnesh; Adhikari, Susmita; Dalal, Neal; Kravtsov, Andrey; More, Surhud; Rozo, Eduardo; Rykoff, Eli; Sheth, Ravi K.

2017-05-01

Analytical models and simulations predict a rapid decline in the halo density profile associated with the transition from the “infalling” regime outside the halo to the “collapsed” regime within the halo. Using data from SDSS, we explore evidence for such a feature in the density profiles of galaxy clusters using several different approaches. We first estimate the steepening of the outer galaxy density profile around clusters, finding evidence for truncation of the halo profile. Next, we measure the galaxy density profile around clusters using two sets of galaxies selected on color. We find evidence of an abrupt change in galaxy colors that coincides with the location of the steepening of the density profile. Since galaxies that have completed orbits within the cluster are more likely to be quenched of star formation and thus appear redder, this abrupt change in galaxy color can be associated with the transition from single-stream to multi-stream regimes. We also use a standard model comparison approach to measure evidence for a “splashback”-like feature, but find that this approach is very sensitive to modeling assumptions. Finally, we perform measurements using an independent cluster catalog to test for potential systematic errors associated with cluster selection. We identify several avenues for future work: improved understanding of the small-scale galaxy profile, lensing measurements, identification of proxies for the halo accretion rate, and other tests. With upcoming data from the DES, KiDS, and HSC surveys, we can expect significant improvements in the study of halo boundaries.

Density-based cluster algorithms for the identification of core sets

NASA Astrophysics Data System (ADS)

Lemke, Oliver; Keller, Bettina G.

2016-10-01

The core-set approach is a discretization method for Markov state models of complex molecular dynamics. Core sets are disjoint metastable regions in the conformational space, which need to be known prior to the construction of the core-set model. We propose to use density-based cluster algorithms to identify the cores. We compare three different density-based cluster algorithms: the CNN, the DBSCAN, and the Jarvis-Patrick algorithm. While the core-set models based on the CNN and DBSCAN clustering are well-converged, constructing core-set models based on the Jarvis-Patrick clustering cannot be recommended. In a well-converged core-set model, the number of core sets is up to an order of magnitude smaller than the number of states in a conventional Markov state model with comparable approximation error. Moreover, using the density-based clustering one can extend the core-set method to systems which are not strongly metastable. This is important for the practical application of the core-set method because most biologically interesting systems are only marginally metastable. The key point is to perform a hierarchical density-based clustering while monitoring the structure of the metric matrix which appears in the core-set method. We test this approach on a molecular-dynamics simulation of a highly flexible 14-residue peptide. The resulting core-set models have a high spatial resolution and can distinguish between conformationally similar yet chemically different structures, such as register-shifted hairpin structures.

Enviromental Effects on Internal Color Gradients of Early-Type Galaxies

NASA Astrophysics Data System (ADS)

La Barbera, F.; de Carvalho, R. R.; Gal, R. R.; Busarello, G.; Haines, C. P.; Mercurio, A.; Merluzzi, P.; Capaccioli, M.; Djorgovski, S. G.

2007-05-01

One of the most debated issues of observational and theoretical cosmology is that of how the environment affects the formation and evolution of galaxies. To gain new insight into this subject, we have derived surface photometry for a sample of 3,000 early-type galaxies belonging to 163 clusters with different richness, spanning a redshift range of 0.05 to 0.25. This large data-set is used to analyze how the color distribution inside galaxies depends on several parameters, such as cluster richness, local galaxy density, galaxy luminosity and redshift. We find that the internal color profile of galaxies strongly depends on the environment where galaxies reside. Galaxies in poor and rich clusters are found to follow two distinct trends in the color gradient vs. redshift diagram, with color gradients beeing less steep in rich rather than in poor clusters. No dependence of color gradients on galaxy luminosity is detected both for poor and rich clusters. We find that color gradients strongly depend on local galaxy density, with more shallow gradients in high density regions. Interestingly, this result holds only for low richness clusters, with color gradients of galaxies in rich clusters showing no dependence on local galaxy density. Our results support a reasonable picture whereby young early-type galaxies form in a dissipative collapse process, and then undergo increased (either major or minor) merging activity in richer rather than in poor clusters.

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.

Stellar age spreads in clusters as imprints of cluster-parent clump densities

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

Parmentier, G.; Grebel, E. K.; Pfalzner, S.

2014-08-20

It has recently been suggested that high-density star clusters have stellar age distributions much narrower than that of the Orion Nebula Cluster, indicating a possible trend of narrower age distributions for denser clusters. We show this effect to likely arise from star formation being faster in gas with a higher density. We model the star formation history of molecular clumps in equilibrium by associating a star formation efficiency per free-fall time, ε{sub ff}, to their volume density profile. We focus on the case of isothermal spheres and we obtain the evolution with time of their star formation rate. Our modelmore » predicts a steady decline of the star formation rate, which we quantify with its half-life time, namely, the time needed for the star formation rate to drop to half its initial value. Given the uncertainties affecting the star formation efficiency per free-fall time, we consider two distinct values: ε{sub ff} = 0.1 and ε{sub ff} = 0.01. When ε{sub ff} = 0.1, the half-life time is of the order of the clump free-fall time, τ{sub ff}. As a result, the age distributions of stars formed in high-density clumps have smaller full-widths at half-maximum than those of stars formed in low-density clumps. When the star formation efficiency per free-fall time is 0.01, the half-life time is 10 times longer, i.e., 10 clump free-fall times. We explore what happens if the duration of star formation is shorter than 10τ{sub ff}, that is, if the half-life time of the star formation rate cannot be defined. There, we build on the invariance of the shape of the young cluster mass function to show that an anti-correlation between the clump density and the duration of star formation is expected. We therefore conclude that, regardless of whether the duration of star formation is longer than the star formation rate half-life time, denser molecular clumps yield narrower star age distributions in clusters. Published densities and stellar age spreads of young clusters and star-forming regions actually suggest that the timescale for star formation is of order 1-4τ{sub ff}. We also discuss how the age bin size and uncertainties in stellar ages affect our results. We conclude that there is no need to invoke the existence of multiple cluster formation mechanisms to explain the observed range of stellar age spreads in clusters.« less

Density-cluster NMA: A new protein decomposition technique for coarse-grained normal mode analysis.

PubMed

Demerdash, Omar N A; Mitchell, Julie C

2012-07-01

Normal mode analysis has emerged as a useful technique for investigating protein motions on long time scales. This is largely due to the advent of coarse-graining techniques, particularly Hooke's Law-based potentials and the rotational-translational blocking (RTB) method for reducing the size of the force-constant matrix, the Hessian. Here we present a new method for domain decomposition for use in RTB that is based on hierarchical clustering of atomic density gradients, which we call Density-Cluster RTB (DCRTB). The method reduces the number of degrees of freedom by 85-90% compared with the standard blocking approaches. We compared the normal modes from DCRTB against standard RTB using 1-4 residues in sequence in a single block, with good agreement between the two methods. We also show that Density-Cluster RTB and standard RTB perform well in capturing the experimentally determined direction of conformational change. Significantly, we report superior correlation of DCRTB with B-factors compared with 1-4 residue per block RTB. Finally, we show significant reduction in computational cost for Density-Cluster RTB that is nearly 100-fold for many examples. Copyright © 2012 Wiley Periodicals, Inc.

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

Warm-hot gas in X-ray bright galaxy clusters and the H I-deficient circumgalactic medium in dense environments

NASA Astrophysics Data System (ADS)

Burchett, Joseph N.; Tripp, Todd M.; Wang, Q. Daniel; Willmer, Christopher N. A.; Bowen, David V.; Jenkins, Edward B.

2018-04-01

We analyse the intracluster medium (ICM) and circumgalactic medium (CGM) in seven X-ray-detected galaxy clusters using spectra of background quasi-stellar objects (QSOs) (HST-COS/STIS), optical spectroscopy of the cluster galaxies (MMT/Hectospec and SDSS), and X-ray imaging/spectroscopy (XMM-Newton and Chandra). First, we report a very low covering fraction of H I absorption in the CGM of these cluster galaxies, f_c = 25^{+25}_{-15} {per cent}, to stringent detection limits (N(H I) <1013 cm-2). As field galaxies have an H I covering fraction of ˜ 100 per cent at similar radii, the dearth of CGM H I in our data indicates that the cluster environment has effectively stripped or overionized the gaseous haloes of these cluster galaxies. Secondly, we assess the contribution of warm-hot (105-106 K) gas to the ICM as traced by O VI and broad Ly α (BLA) absorption. Despite the high signal-to-noise ratio of our data, we do not detect O VI in any cluster, and we only detect BLA features in the QSO spectrum probing one cluster. We estimate that the total column density of warm-hot gas along this line of sight totals to ˜ 3 per cent of that contained in the hot T > 107 K X-ray emitting phase. Residing at high relative velocities, these features may trace pre-shocked material outside the cluster. Comparing gaseous galaxy haloes from the low-density `field' to galaxy groups and high-density clusters, we find that the CGM is progressively depleted of H I with increasing environmental density, and the CGM is most severely transformed in galaxy clusters. This CGM transformation may play a key role in environmental galaxy quenching.

Fabrication of hierarchical porous hollow carbon spheres with few-layer graphene framework and high electrochemical activity for supercapacitor

NASA Astrophysics Data System (ADS)

Chen, Jing; Hong, Min; Chen, Jiafu; Hu, Tianzhao; Xu, Qun

2018-06-01

Porous amorphous carbons with large number of defects and dangling bonds indicate great potential application in energy storage due to high specific surface area and strong adsorption properties, but poor conductivity and pore connection limit their practical application. Here few-layer graphene framework with high electrical conductivity is embedded and meanwhile hierarchical porous structure is constructed in amorphous hollow carbon spheres (HCSs) by catalysis of Fe clusters of angstrom scale, which are loaded in the interior of crosslinked polystyrene via a novel method. These unique HCSs effectively integrate the inherent properties from two-dimensional sp2-hybridized carbon, porous amorphous carbon, hierarchical pore structure and thin shell, leading to high specific capacitance up to 561 F g-1 at a current density of 0.5 A g-1 as an electrode of supercapacitor with excellent recyclability, which is much higher than those of other reported porous carbon materials up to present.

Dynamics and density distributions in a capillary-discharge waveguide with an embedded supersonic jet

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

Matlis, N. H., E-mail: nmatlis@gmail.com; Gonsalves, A. J.; Steinke, S.

We present an analysis of the gas dynamics and density distributions within a capillary-discharge waveguide with an embedded supersonic jet. This device provides a target for a laser plasma accelerator which uses longitudinal structuring of the gas-density profile to enable control of electron trapping and acceleration. The functionality of the device depends sensitively on the details of the density profile, which are determined by the interaction between the pulsed gas in the jet and the continuously-flowing gas in the capillary. These dynamics are captured by spatially resolving recombination light from several emission lines of the plasma as a function ofmore » the delay between the jet and the discharge. We provide a phenomenological description of the gas dynamics as well as a quantitative evaluation of the density evolution. In particular, we show that the pressure difference between the jet and the capillary defines three regimes of operation with qualitatively different longitudinal density profiles and show that jet timing provides a sensitive method for tuning between these regimes.« 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

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.

Unsupervised Learning and Pattern Recognition of Biological Data Structures with Density Functional Theory and Machine Learning.

PubMed

Chen, Chien-Chang; Juan, Hung-Hui; Tsai, Meng-Yuan; Lu, Henry Horng-Shing

2018-01-11

By introducing the methods of machine learning into the density functional theory, we made a detour for the construction of the most probable density function, which can be estimated by learning relevant features from the system of interest. Using the properties of universal functional, the vital core of density functional theory, the most probable cluster numbers and the corresponding cluster boundaries in a studying system can be simultaneously and automatically determined and the plausibility is erected on the Hohenberg-Kohn theorems. For the method validation and pragmatic applications, interdisciplinary problems from physical to biological systems were enumerated. The amalgamation of uncharged atomic clusters validated the unsupervised searching process of the cluster numbers and the corresponding cluster boundaries were exhibited likewise. High accurate clustering results of the Fisher's iris dataset showed the feasibility and the flexibility of the proposed scheme. Brain tumor detections from low-dimensional magnetic resonance imaging datasets and segmentations of high-dimensional neural network imageries in the Brainbow system were also used to inspect the method practicality. The experimental results exhibit the successful connection between the physical theory and the machine learning methods and will benefit the clinical diagnoses.

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

NMR measurements of gaseous sulfur hexafluoride (SF6) to probe the cross-linking of EPDM rubber.

PubMed

Terekhov, M; Neutzler, S; Aluas, M; Hoepfel, D; Oellrich, L R

2005-11-01

The effects of embedding gaseous SF6 into EPDM rubber were investigated using NMR methods. It was found that observed sorption and desorption processes follow the behavior of the dual mode sorption model. A strong correlation was found between EPDM cross-linking and transversal relaxation time of embedded SF6. EPDM samples with different cross-link densities, preliminarily determined by 1H transversal relaxation using the Gotlib model and Litvinov's method, were investigated using embedded SF6. The sensitivity of the 19F transversal relaxation rate of SF6 to the EPDM cross-link density variation was found to be at least 10 times higher than for 1H in the polymer chain. First experiments on probing the swelling effects in EPDM due to its contact with polar liquids have been performed. Copyright (c) 2005 John Wiley & Sons, Ltd.

Electrochemistry at Edge of Single Graphene Layer in a Nanopore

PubMed Central

Banerjee, Shouvik; Shim, Jiwook; Rivera, Jose; Jin, Xiaozhong; Estrada, David; Solovyeva, Vita; You, Xiuque; Pak, James; Pop, Eric; Aluru, Narayana; Bashir, Rashid

2013-01-01

We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and Al2O3 dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to unique edge structure which, along with the atomically thin nature of the embedded graphene electrode, demonstrates electrochemical current densities as high as 1.2 × 104 A/cm2. The graphene edge embedded structure offers a unique capability to study the electrochemical exchange at an individual graphene edge, isolated from the basal plane electrochemical activity. We also report ionic current modulation in the nanopore by biasing the embedded graphene terminal with respect to the electrodes in the fluid. The high electrochemical specific current density for a graphene nanopore-based device can have many applications in sensitive chemical and biological sensing, and energy storage devices. PMID:23249127

First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order

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

Prager, Stefan, E-mail: stefan.prager@iwr.uni-heidelberg.de; Dreuw, Andreas, E-mail: dreuw@uni-heidelberg.de; Zech, Alexander, E-mail: alexander.zech@unige.ch

The combination of Frozen Density Embedding Theory (FDET) and the Algebraic Diagrammatic Construction (ADC) scheme for the polarization propagator for describing environmental effects on electronically excited states is presented. Two different ways of interfacing and expressing the so-called embedding operator are introduced. The resulting excited states are compared with supermolecular calculations of the total system at the ADC(2) level of theory. Molecular test systems were chosen to investigate molecule–environment interactions of varying strength from dispersion interaction up to multiple hydrogen bonds. The overall difference between the supermolecular and the FDE-ADC calculations in excitation energies is lower than 0.09 eV (max)more » and 0.032 eV in average, which is well below the intrinsic error of the ADC(2) method itself.« less

Characterization of an F-center in an alkali halide cluster

NASA Astrophysics Data System (ADS)

Bader, R. F. W.; Platts, J. A.

1997-11-01

The removal of a fluorine atom from its central position in a cubiclike Li14F13+ cluster creates an F-center vacancy that may or may not be occupied by the remaining odd electron. The topology exhibited by the electron density in Li14F12+, the F-center cluster, enables one to make a clear distinction between the two possible forms that the odd electron can assume. If it possesses a separate identity, then a local maximum in the electron density will be found within the vacancy and the F-center will behave quantum mechanically as an open system, bounded by a surface of local zero flux in the gradient vector field of the electron density. If, however, the density of the odd electron is primarily delocalized onto the neighboring ions, then a cage critical point, a local minimum in the density, will be found at the center of the vacancy. Without an associated local maximum, the vacancy has no boundary and is undefined. Self-consistent field (SCF) calculations with geometry optimization of the Li14F13+ cluster and of the doublet state of Li14F12+ show that the creation of the central vacancy has only a minor effect upon the geometry of the cluster, the result of a local maximum in the electron density being formed within the vacancy. Thus the F-center is the physical manifestation of a non-nuclear attractor in the electron density. It is consequently a proper open system with a definable set of properties, the most characteristic being its low kinetic energy per electron. In addition to determining the properties of the F-center, the effect of its formation on the energies, volumes, populations, both electron and spin, and electron localizations of the ions in the cluster are determined.

Stellar black holes in globular clusters

NASA Technical Reports Server (NTRS)

Kulkarni, S. R.; Hut, Piet; Mcmillan, Steve

1993-01-01

The recent discovery of large populations of millisec pulsars associated with neutron stars in globular clusters indicates that several hundred stellar black holes of about 10 solar masses each can form within a typical cluster. While, in clusters of high central density, the rapid dynamical evolution of the black-hole population leads to an ejection of nearly all holes on a short timescale, systems of intermediate density may involve a normal star's capture by one of the surviving holes to form a low-mass X-ray binary. One or more such binaries may be found in the globular clusters surrounding our galaxy.

CO in Protostars (COPS): Herschel-SPIRE Spectroscopy of Embedded Protostars

NASA Astrophysics Data System (ADS)

Yang, Yao-Lun; Green, Joel D.; Evans, Neal J.; COPS Team

2017-06-01

Molecular emission from early stage protostars reveals the properties of the surrounding gas and the underlying physical processes that govern the early stage of star formation. The CO in Protostars (COPS) Herschel program observes 27 embedded protostars with SPIRE, including several molecular species, such as CO, 13CO, H2O, and HCO+, allowing us to investigate the processes that regulate the early stage of star formation across a large sample of sources. We detect CO rotational lines from Jup = 4 to 36, 13CO lines from Jup = 5 to 10, and six H2O lines, along with atomic lines, such as [N II] and [C I]. We have created an uniformly calibrated dataset with the data from Dust, Ice, and Gas In Time (DIGIT) Herschel Key Program and archival photometry, in which we characterize each source by its spectral energy distribution and evolutionary class. We detect 323 lines from 25 sources from which we successfully extracted 1D spectra, and 3068 lines from 27 sources observed in all spatial pixels of SPIRE. We analyze the correlations of the line strengths of every line pair from all lines detected in our sample with two methods from ASURV package, Spearman's ρ, which test whether the line strengths relation can be described by a monotonic function, and the Kendall z-value, which quantifies the similarity of the ordering of the line strengths of two lines. We notice that the distribution of correlations shows a systematic tendency coinciding with the wavelength coverages of the instruments, suggesting an instrumental bias. Within each module, the correlations of two CO line pairs show high correlations, which decrease as the difference of the upper J-level of the two CO lines increases. The smooth gradients of the distribution of correlations hint that the temperature and density of CO gas are continuously varying throughout the embedding envelope. If all CO gas in the envelope shares a same temperature or density, the correlations would be strong for two CO lines originating from two very different J-levels. We find no obvious clustering in the distribution of correlation strength, while a group of CO lines could have shown particularly strong correlations if their properties were dominated by the same physical process.

Lipoprotein lipase S447X variant associated with VLDL, LDL and HDL diameter clustering in the MetS

USDA-ARS?s Scientific Manuscript database

Previous analysis clustered 1,238 individuals from the general population Genetics of Lipid Lowering Drugs Network (GOLDN) study by the size of their fasting very low-density, low-density and high-density lipoproteins (VLDL, LDL, HDL) using latent class analysis. From two of the eight identified gro...

First-principle study of structural, electronic and magnetic properties of (FeC)n (n = 1-8) and (FeC)8TM (TM = V, Cr, Mn and Co) clusters.

PubMed

Li, Cheng-Gang; Zhang, Jie; Zhang, Wu-Qin; Tang, Ya-Nan; Ren, Bao-Zeng; Hu, Yan-Fei

2017-12-13

The structural, electronic and magnetic properties of the (FeC) n (n = 1-8) clusters are studied using the unbiased CALYPSO structure search method and density functional theory. A combination of the PBE functional and 6-311 + G* basis set is used for determining global minima on potential energy surfaces of (FeC) n clusters. Relatively stabilities are analyzed via computing their binding energies, second order difference and HOMO-LUMO gaps. In addition, the origin of magnetic properties, spin density and density of states are discussed in detail, respectively. At last, based on the same computational method, the structures, magnetic properties and density of states are systemically investigated for the 3d (V, Cr, Mn and Co) atom doped (FeC) 8 cluster.

Clustering and pasta phases in nuclear density functional theory

DOE PAGES

Schuetrumpf, Bastian; Zhang, Chunli; Nazarewicz, Witold

2017-05-23

Nuclear density functional theory is the tool of choice in describing properties of complex nuclei and intricate phases of bulk nucleonic matter. It is a microscopic approach based on an energy density functional representing the nuclear interaction. An attractive feature of nuclear DFT is that it can be applied to both finite nuclei and pasta phases appearing in the inner crust of neutron stars. While nuclear pasta clusters in a neutron star can be easily characterized through their density distributions, the level of clustering of nucleons in a nucleus can often be difficult to assess. To this end, we usemore » the concept of nucleon localization. We demonstrate that the localization measure provides us with fingerprints of clusters in light and heavy nuclei, including fissioning systems. Furthermore we investigate the rod-like pasta phase using twist-averaged boundary conditions, which enable calculations in finite volumes accessible by state of the art DFT solvers.« less

Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.

PubMed

Dohn, A O; Jónsson, E Ö; Levi, G; Mortensen, J J; Lopez-Acevedo, O; Thygesen, K S; Jacobsen, K W; Ulstrup, J; Henriksen, N E; Møller, K B; Jónsson, H

2017-12-12

A multiscale density functional theory-quantum mechanics/molecular mechanics (DFT-QM/MM) scheme is presented, based on an efficient electrostatic coupling between the electronic density obtained from a grid-based projector augmented wave (GPAW) implementation of density functional theory and a classical potential energy function. The scheme is implemented in a general fashion and can be used with various choices for the descriptions of the QM or MM regions. Tests on H 2 O clusters, ranging from dimer to decamer show that no systematic energy errors are introduced by the coupling that exceeds the differences in the QM and MM descriptions. Over 1 ns of liquid water, Born-Oppenheimer QM/MM molecular dynamics (MD) are sampled combining 10 parallel simulations, showing consistent liquid water structure over the QM/MM border. The method is applied in extensive parallel MD simulations of an aqueous solution of the diplatinum [Pt 2 (P 2 O 5 H 2 ) 4 ] 4- complex (PtPOP), spanning a total time period of roughly half a nanosecond. An average Pt-Pt distance deviating only 0.01 Å from experimental results, and a ground-state Pt-Pt oscillation frequency deviating by <2% from experimental results were obtained. The simulations highlight a remarkable harmonicity of the Pt-Pt oscillation, while also showing clear signs of Pt-H hydrogen bonding and directional coordination of water molecules along the Pt-Pt axis of the complex.

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.

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.

Integrated narrowband optical filter based on embedded subwavelength resonant grating structures

DOEpatents

Grann, Eric B.; Sitter, Jr., David N.

2000-01-01

A resonant grating structure in a waveguide and methods of tuning the performance of the grating structure are described. An apparatus includes a waveguide; and a subwavelength resonant grating structure embedded in the waveguide. The systems and methods provide advantages including narrowband filtering capabilities, minimal sideband reflections, spatial control, high packing density, and tunability.

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

Numerical Simulations of Flow Separation Control in Low-Pressure Turbines using Plasma Actuators

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.; Ashpis, D. E.

2007-01-01

A recently introduced phenomenological model to simulate flow control applications using plasma actuators has been further developed and improved in order to expand its use to complicated actuator geometries. The new modeling approach eliminates the requirement of an empirical charge density distribution shape by using the embedded electrode as a source for the charge density. The resulting model is validated against a flat plate experiment with quiescent environment. The modeling approach incorporates the effect of the plasma actuators on the external flow into Navier Stokes computations as a body force vector which is obtained as a product of the net charge density and the electric field. The model solves the Maxwell equation to obtain the electric field due to the applied AC voltage at the electrodes and an additional equation for the charge density distribution representing the plasma density. The new modeling approach solves the charge density equation in the computational domain assuming the embedded electrode as a source therefore automatically generating a charge density distribution on the surface exposed to the flow similar to that observed in the experiments without explicitly specifying an empirical distribution. The model is validated against a flat plate experiment with quiescent environment.

The halo boundary of galaxy clusters in the SDSS

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

Baxter, Eric; Chang, Chihway; Jain, Bhuvnesh

Analytical models and simulations predict a rapid decline in the halo density profile associated with the transition from the "infalling" regime outside the halo to the "collapsed" regime within the halo. Using data from SDSS, we explore evidence for such a feature in the density profiles of galaxy clusters using several different approaches. We first estimate the steepening of the outer galaxy density profile around clusters, finding evidence for truncation of the halo profile. Next, we measure the galaxy density profile around clusters using two sets of galaxies selected on color. We find evidence of an abrupt change in galaxymore » colors that coincides with the location of the steepening of the density profile. Since galaxies that have completed orbits within the cluster are more likely to be quenched of star formation and thus appear redder, this abrupt change in galaxy color can be associated with the transition from single-stream to multi-stream regimes. We also use a standard model comparison approach to measure evidence for a "splashback"-like feature, but find that this approach is very sensitive to modeling assumptions. Finally, we perform measurements using an independent cluster catalog to test for potential systematic errors associated with cluster selection. We identify several avenues for future work: improved understanding of the small-scale galaxy profile, lensing measurements, identification of proxies for the halo accretion rate, and other tests. As a result, with upcoming data from the DES, KiDS, and HSC surveys, we can expect significant improvements in the study of halo boundaries.« less

The Halo Boundary of Galaxy Clusters in the SDSS

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

Baxter, Eric; Jain, Bhuvnesh; Sheth, Ravi K.

Analytical models and simulations predict a rapid decline in the halo density profile associated with the transition from the “infalling” regime outside the halo to the “collapsed” regime within the halo. Using data from SDSS, we explore evidence for such a feature in the density profiles of galaxy clusters using several different approaches. We first estimate the steepening of the outer galaxy density profile around clusters, finding evidence for truncation of the halo profile. Next, we measure the galaxy density profile around clusters using two sets of galaxies selected on color. We find evidence of an abrupt change in galaxymore » colors that coincides with the location of the steepening of the density profile. Since galaxies that have completed orbits within the cluster are more likely to be quenched of star formation and thus appear redder, this abrupt change in galaxy color can be associated with the transition from single-stream to multi-stream regimes. We also use a standard model comparison approach to measure evidence for a “splashback”-like feature, but find that this approach is very sensitive to modeling assumptions. Finally, we perform measurements using an independent cluster catalog to test for potential systematic errors associated with cluster selection. We identify several avenues for future work: improved understanding of the small-scale galaxy profile, lensing measurements, identification of proxies for the halo accretion rate, and other tests. With upcoming data from the DES, KiDS, and HSC surveys, we can expect significant improvements in the study of halo boundaries.« less

The halo boundary of galaxy clusters in the SDSS

DOE PAGES

Baxter, Eric; Chang, Chihway; Jain, Bhuvnesh; ...

2017-05-18

Analytical models and simulations predict a rapid decline in the halo density profile associated with the transition from the "infalling" regime outside the halo to the "collapsed" regime within the halo. Using data from SDSS, we explore evidence for such a feature in the density profiles of galaxy clusters using several different approaches. We first estimate the steepening of the outer galaxy density profile around clusters, finding evidence for truncation of the halo profile. Next, we measure the galaxy density profile around clusters using two sets of galaxies selected on color. We find evidence of an abrupt change in galaxymore » colors that coincides with the location of the steepening of the density profile. Since galaxies that have completed orbits within the cluster are more likely to be quenched of star formation and thus appear redder, this abrupt change in galaxy color can be associated with the transition from single-stream to multi-stream regimes. We also use a standard model comparison approach to measure evidence for a "splashback"-like feature, but find that this approach is very sensitive to modeling assumptions. Finally, we perform measurements using an independent cluster catalog to test for potential systematic errors associated with cluster selection. We identify several avenues for future work: improved understanding of the small-scale galaxy profile, lensing measurements, identification of proxies for the halo accretion rate, and other tests. As a result, with upcoming data from the DES, KiDS, and HSC surveys, we can expect significant improvements in the study of halo boundaries.« less

Intrinsic alignment of redMaPPer clusters: cluster shape-matter density correlation

NASA Astrophysics Data System (ADS)

van Uitert, Edo; Joachimi, Benjamin

2017-07-01

We measure the alignment of the shapes of galaxy clusters, as traced by their satellite distributions, with the matter density field using the public redMaPPer catalogue based on Sloan Digital Sky Survey-Data Release 8 (SDSS-DR8), which contains 26 111 clusters up to z ˜ 0.6. The clusters are split into nine redshift and richness samples; in each of them, we detect a positive alignment, showing that clusters point towards density peaks. We interpret the measurements within the tidal alignment paradigm, allowing for a richness and redshift dependence. The intrinsic alignment (IA) amplitude at the pivot redshift z = 0.3 and pivot richness λ = 30 is A_IA^gen=12.6_{-1.2}^{+1.5}. We obtain tentative evidence that the signal increases towards higher richness and lower redshift. Our measurements agree well with results of maxBCG clusters and with dark-matter-only simulations. Comparing our results to the IA measurements of luminous red galaxies, we find that the IA amplitude of galaxy clusters forms a smooth extension towards higher mass. This suggests that these systems share a common alignment mechanism, which can be exploited to improve our physical understanding of IA.

A first determination of the surface density of galaxy clusters at very low x-ray fluxes

NASA Technical Reports Server (NTRS)

Rosati, Piero; Della Ceca, Roberta; Burg, Richard; Norman, Colin; Giacconi, Riccardo

1995-01-01

We present the first results of a serendipitous search for clusters of galaxies in deep ROSAT position sensitive proportional counter (PSPC) pointed observations at high Galactic latitude. The survey is being carried out using a wavelet-based detection algorithm which is not biased against extended, low surface brightness sources. A new flux-diameter limited sample of 10 cluster candidates has been created from approximately 3 deg(exp 2) surveyed area. Preliminary CCD observations have revealed that a large fraction of these candidates correspond to a visible enhancement in the galaxy surface density, and several others have been identified from other surveys. We believe these sources to be either low- to moderate-redshift groups or intermediate- to high-redshift clusters. We show X-ray and optical images of some of the clusters identified to date. We present, for the first time, the derived number density of the galaxy clusters to a flux limit of 1 x 10(exp -14) ergs cm(exp -2) s(exp -1) (0.5-2.0 keV). This extends the log N-log S of previous cluster surveys by more than one decade in flux. Results are compared to theoretical predictions for cluster number counts.

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.

Searching for the missing baryons in clusters

PubMed Central

Rasheed, Bilhuda; Bahcall, Neta; Bode, Paul

2011-01-01

Observations of clusters of galaxies suggest that they contain fewer baryons (gas plus stars) than the cosmic baryon fraction. This “missing baryon” puzzle is especially surprising for the most massive clusters, which are expected to be representative of the cosmic matter content of the universe (baryons and dark matter). Here we show that the baryons may not actually be missing from clusters, but rather are extended to larger radii than typically observed. The baryon deficiency is typically observed in the central regions of clusters (∼0.5 the virial radius). However, the observed gas-density profile is significantly shallower than the mass-density profile, implying that the gas is more extended than the mass and that the gas fraction increases with radius. We use the observed density profiles of gas and mass in clusters to extrapolate the measured baryon fraction as a function of radius and as a function of cluster mass. We find that the baryon fraction reaches the cosmic value near the virial radius for all groups and clusters above . This suggests that the baryons are not missing, they are simply located in cluster outskirts. Heating processes (such as shock-heating of the intracluster gas, supernovae, and Active Galactic Nuclei feedback) likely contribute to this expanded distribution. Upcoming observations should be able to detect these baryons. PMID:21321229

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.

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.

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).

Manufacturing of highly integrated mechatronic modules by using the technology of embedding stereolithography

NASA Astrophysics Data System (ADS)

Rechtenwald, Thomas; Frick, Thomas; Schmidt, Michael

The embedding stereolithography is an additive, hybrid process, which allows the construction of highly integrated 3D assemblies for the use in automotive applications. The flexible process of stereolithography is combined with the embedding of functional components and supplemented by the additive manufacturing of electrical or optical conductive structures. This combination of sub-processes implies a high potential regarding the obtainable integration density of mechatronical modules. This work considers basic restrictions, which limit the mechanical stability of the manufactured modules by calculating the superposition of residual and external stress using a thermo-mechanical finite element model and develops a procedure to qualify stereolithography matrix materials for the process of the embedding stereolithography.

The Splashback Feature around DES Galaxy Clusters: Galaxy Density and Weak Lensing Profiles

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

Chang, Chihway; et al.

Splashback refers to the process of matter that is accreting onto a dark matter halo reaching its first orbital apocenter and turning around in its orbit. The cluster-centric radius at which this process occurs, r_sp, defines a halo boundary that is connected to the dynamics of the cluster, in contrast with other common halo boundary definitions such as R_200. A rapid decline in the matter density profile of the halo is expected near r_sp. We measure the galaxy number density and weak lensing mass profiles around RedMapper galaxy clusters in the first year Dark Energy Survey (DES) data. For amore » cluster sample with mean mass ~2.5 x 10^14 solar masses, we find strong evidence of a splashback-like steepening of the galaxy density profile and measure r_sp=1.16 +/- 0.08 Mpc/h, consistent with earlier SDSS measurements of More et al. (2016) and Baxter et al. (2017). Moreover, our weak lensing measurement demonstrates for the first time the existence of a splashback-like steepening of the matter profile of galaxy clusters. We measure r_sp=1.28 +/- 0.18 Mpc/h from the weak lensing data, in good agreement with our galaxy density measurements. Applying our analysis to different cluster and galaxy samples, we find that consistent with LambdaCDM simulations, r_sp scales with R_200m and does not evolve with redshift over the redshift range of 0.3--0.6. We also find that potential systematic effects associated with the RedMapper algorithm may impact the location of r_sp, in particular the choice of scale used to estimate cluster richness. We discuss progress needed to understand the systematic uncertainties and fully exploit forthcoming data from DES and future surveys, emphasizing the importance of more realistic mock catalogs and independent cluster samples.« less

The structures and electronic properties of zigzag silicene nanoribbons with periodically embedded with four- and eight-membered rings

NASA Astrophysics Data System (ADS)

Tan, Guiping; Lu, Junzhe; Zhu, Hengjiang; Li, Fangfang; Ma, Miaomiao; Wang, Xiaoning

2018-07-01

Using density functional theory (DFT), we have studied the structure of a zigzag silicene nanoribbons (SiNRs) with periodically embedded with four- and eight-membered rings, and studied their electronic properties by calculating its band structures and density of states (DOS). The results showed that the zigzag SiNRs have a sp2 hybridization, in addition, the band gap gradually decreased with the increase of the width by layer, and gradually changed from semiconductor properties to metal properties. The existence of vacancy defects increased the band gap and energies, but their positions could not change the structure and the electronic properties.

A Kinematical Detection of Two Embedded Jupiter-mass Planets in HD 163296

NASA Astrophysics Data System (ADS)

Teague, Richard; Bae, Jaehan; Bergin, Edwin A.; Birnstiel, Tilman; Foreman-Mackey, Daniel

2018-06-01

We present the first kinematical detection of embedded protoplanets within a protoplanetary disk. Using archival Atacama Large Millimetre Array (ALMA) observations of HD 163296, we demonstrate a new technique to measure the rotation curves of CO isotopologue emission to sub-percent precision relative to the Keplerian rotation. These rotation curves betray substantial deviations caused by local perturbations in the radial pressure gradient, likely driven by gaps carved in the gas surface density by Jupiter-mass planets. Comparison with hydrodynamic simulations shows excellent agreement with the gas rotation profile when the disk surface density is perturbed by two Jupiter-mass planets at 83 and 137 au. As the rotation of the gas is dependent upon the pressure of the total gas component, this method provides a unique probe of the gas surface density profile without incurring significant uncertainties due to gas-to-dust ratios or local chemical abundances that plague other methods. Future analyses combining both methods promise to provide the most accurate and robust measures of embedded planetary mass. Furthermore, this method provides a unique opportunity to explore wide-separation planets beyond the mm continuum edge and to trace the gas pressure profile essential in modeling grain evolution in disks.

Structure and Stability of GeAu{sub n}, n = 1-10 clusters: A Density Functional Study

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

Priyanka,; Dharamvir, Keya; Sharma, Hitesh

2011-12-12

The structures of Germanium doped gold clusters GeAu{sub n} (n = 1-10) have been investigated using ab initio calculations based on density functional theory (DFT). We have obtained ground state geometries of GeAu{sub n} clusters and have it compared with Silicon doped gold clusters and pure gold clusters. The ground state geometries of the GeAu{sub n} clusters show patterns similar to silicon doped gold clusters except for n = 5, 6 and 9. The introduction of germanium atom increases the binding energy of gold clusters. The binding energy per atom of germanium doped cluster is smaller than the corresponding siliconmore » doped gold cluster. The HUMO-LOMO gap for Au{sub n}Ge clusters have been found to vary between 0.46 eV-2.09 eV. The mullikan charge analysis indicates that charge of order of 0.1e always transfers from germanium atom to gold atom.« less

Clogging and depinning of ballistic active matter systems in disordered media

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Reichhardt, C. J. O.

2018-05-01

We numerically examine ballistic active disks driven through a random obstacle array. Formation of a pinned or clogged state occurs at much lower obstacle densities for the active disks than for passive disks. As a function of obstacle density, we identify several distinct phases including a depinned fluctuating cluster state, a pinned single-cluster or jammed state, a pinned multicluster state, a pinned gel state, and a pinned disordered state. At lower active disk densities, a drifting uniform liquid forms in the absence of obstacles, but when even a small number of obstacles are introduced, the disks organize into a pinned phase-separated cluster state in which clusters nucleate around the obstacles, similar to a wetting phenomenon. We examine how the depinning threshold changes as a function of disk or obstacle density and find a crossover from a collectively pinned cluster state to a disordered plastic depinning transition as a function of increasing obstacle density. We compare this to the behavior of nonballistic active particles and show that as we vary the activity from completely passive to completely ballistic, a clogged phase-separated state appears in both the active and passive limits, while for intermediate activity, a readily flowing liquid state appears and there is an optimal activity level that maximizes the flux through the sample.

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.

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

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.

Cluster galaxy population evolution from the Subaru Hyper Suprime-Cam survey: brightest cluster galaxies, stellar mass distribution, and active galaxies

NASA Astrophysics Data System (ADS)

Lin, Yen-Ting; Hsieh, Bau-Ching; Lin, Sheng-Chieh; Oguri, Masamune; Chen, Kai-Feng; Tanaka, Masayuki; Chiu, I.-non; Huang, Song; Kodama, Tadayuki; Leauthaud, Alexie; More, Surhud; Nishizawa, Atsushi J.; Bundy, Kevin; Lin, Lihwai; Miyazaki, Satoshi; HSC Collaboration

2018-01-01

The unprecedented depth and area surveyed by the Subaru Strategic Program with the Hyper Suprime-Cam (HSC-SSP) have enabled us to construct and publish the largest distant cluster sample out to z~1 to date. In this exploratory study of cluster galaxy evolution from z=1 to z=0.3, we investigate the stellar mass assembly history of brightest cluster galaxies (BCGs), and evolution of stellar mass and luminosity distributions, stellar mass surface density profile, as well as the population of radio galaxies. Our analysis is the first high redshift application of the top N richest cluster selection, which is shown to allow us to trace the cluster galaxy evolution faithfully. Our stellar mass is derived from a machine-learning algorithm, which we show to be unbiased and accurate with respect to the COSMOS data. We find very mild stellar mass growth in BCGs, and no evidence for evolution in both the total stellar mass-cluster mass correlation and the shape of the stellar mass surface density profile. The clusters are found to contain more red galaxies compared to the expectations from the field, even after the differences in density between the two environments have been taken into account. We also present the first measurement of the radio luminosity distribution in clusters out to z~1.

The flat density profiles of massive, and relaxed galaxy clusters

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

Popolo, A. Del, E-mail: adelpopolo@oact.inaf.it

2014-07-01

The present paper is an extension and continuation of Del Popolo (2012a) which studied the role of baryon physics on clusters of galaxies formation. In the present paper, we studied by means of the SIM introduced in Del Popolo (2009), the total and DM density profiles, and the correlations among different quantities, observed by Newman et al. (2012a,b), in seven massive and relaxed clusters, namely MS2137, A963, A383, A611, A2537, A2667, A2390. As already found in Del Popolo 2012a, the density profiles depend on baryonic fraction, angular momentum, and the angular momentum transferred from baryons to DM through dynamical friction.more » Similarly to Newman et al. (2012a,b), the total density profile, in the radius range 0.003–0.03r{sub 200}, has a mean total density profile in agreement with dissipationless simulations. The slope of the DM profiles of all clusters is flatter than -1. The slope, α, has a maximum value (including errors) of α = −0.88 in the case of A2390, and minimum value α = −0.14 for A2537. The baryonic component dominates the mass distribution at radii < 5–10 kpc, while the outer distribution is dark matter dominated. We found an anti-correlation among the slope α, the effective radius, R{sub e}, and the BCG mass, and a correlation among the core radius r{sub core}, and R{sub e}. Moreover, the mass in 100 kpc (mainly dark matter) is correlated with the mass inside 5 kpc (mainly baryons). The behavior of the total mass density profile, the DM density profile, and the quoted correlations can be understood in a double phase scenario. In the first dissipative phase the proto-BCG forms, and in the second dissipationless phase, dynamical friction between baryonic clumps (collapsing to the center) and the DM halo flattens the inner slope of the density profile. In simple terms, the large scatter in the inner slope from cluster to cluster, and the anti-correlation among the slope, α and R{sub e} is due to the fact that in order to have a total mass density profile which is NFW-like, clusters having more massive BCGs at their centers must contain less DM in their center. Consequently the inner profile has a flatter slope.« less

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.

Anthracenyl polar embedded stationary phases with enhanced aromatic selectivity. Part II: A density functional theory study.

PubMed

Mignot, Mélanie; Schammé, Benjamin; Tognetti, Vincent; Joubert, Laurent; Cardinael, Pascal; Peulon-Agasse, Valérie

2017-10-13

New polar embedded aromatic stationary phases (mono- and trifunctional versions) that contain an amide-embedded group coupled with a tricyclic aromatic moiety were developed for chromatographic applications and described in the first paper of this series. These phases offered better separation performance for PAHs than for alkylbenzene homologues, and an enhanced ability to differentiate aromatic planarity to aromatic tridimensional conformation, especially for the trifunctional version and when using methanol instead of acetonitrile. In this second paper, a density functional theory study of the retention process is reported. In particular, it was shown that the selection of the suitable computational protocol allowed for describing rigorously the interactions that could take place, the solvent effects, and the structural changes for the monofunctional and the trifunctional versions. For the first time, the experimental data coupled with these DFT results provided a better understanding of the interaction mechanisms and highlighted the importance of the multimodal character of the designed stationary phases: alkyl spacers for interactions with hydrophobic solutes, amide embedded groups for dipole-dipole and hydrogen-bond interactions, and aromatic terminal groups for π-π interactions. Copyright © 2017 Elsevier B.V. All rights reserved.

Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set

NASA Astrophysics Data System (ADS)

Bennie, Simon J.; Stella, Martina; Miller, Thomas F.; Manby, Frederick R.

2015-07-01

Methods where an accurate wavefunction is embedded in a density-functional description of the surrounding environment have recently been simplified through the use of a projection operator to ensure orthogonality of orbital subspaces. Projector embedding already offers significant performance gains over conventional post-Hartree-Fock methods by reducing the number of correlated occupied orbitals. However, in our first applications of the method, we used the atomic-orbital basis for the full system, even for the correlated wavefunction calculation in a small, active subsystem. Here, we further develop our method for truncating the atomic-orbital basis to include only functions within or close to the active subsystem. The number of atomic orbitals in a calculation on a fixed active subsystem becomes asymptotically independent of the size of the environment, producing the required O ( N 0 ) scaling of cost of the calculation in the active subsystem, and accuracy is controlled by a single parameter. The applicability of this approach is demonstrated for the embedded many-body expansion of binding energies of water hexamers and calculation of reaction barriers of SN2 substitution of fluorine by chlorine in α-fluoroalkanes.

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.

Cluster-lensing: A Python Package for Galaxy Clusters and Miscentering

NASA Astrophysics Data System (ADS)

Ford, Jes; VanderPlas, Jake

2016-12-01

We describe a new open source package for calculating properties of galaxy clusters, including Navarro, Frenk, and White halo profiles with and without the effects of cluster miscentering. This pure-Python package, cluster-lensing, provides well-documented and easy-to-use classes and functions for calculating cluster scaling relations, including mass-richness and mass-concentration relations from the literature, as well as the surface mass density {{Σ }}(R) and differential surface mass density {{Δ }}{{Σ }}(R) profiles, probed by weak lensing magnification and shear. Galaxy cluster miscentering is especially a concern for stacked weak lensing shear studies of galaxy clusters, where offsets between the assumed and the true underlying matter distribution can lead to a significant bias in the mass estimates if not accounted for. This software has been developed and released in a public GitHub repository, and is licensed under the permissive MIT license. The cluster-lensing package is archived on Zenodo. Full documentation, source code, and installation instructions are available at http://jesford.github.io/cluster-lensing/.

Low density, resorcinol-formaldehyde aerogels

DOEpatents

Pekala, Richard W.

1991-01-01

The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer "Clusters". The covalent crosslinking of these "clusters" produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density.ltoreq.100 mg/cc; cell size .ltoreq.0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100.circle.. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

Low density, resorcinol-formaldehyde aerogels

DOEpatents

Pekala, Richard W.

1989-01-01

The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer "clusters". The covalent crosslinking of these "clusters" produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density .ltoreq.100 mg/cc; cell size .ltoreq.0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100 .ANG.. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

Low density, resorcinol-formaldehyde aerogels

DOEpatents

Pekala, R.W.

1989-10-10

The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer clusters. The covalent crosslinking of these clusters produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density [<=]100 mg/cc; cell size [<=]0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100 [angstrom]. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles.

PubMed

Wei, Yaochi; Chen, Shaohua

2015-12-01

The surface energy density of nano-sized elements exhibits a significantly size-dependent behavior. Spherical nanoparticle, as an important element in nano-devices and nano-composites, has attracted many interesting studies on size effect, most of which are molecular dynamics (MD) simulations. However, the existing MD calculations yield two opposite size-dependent trends of surface energy density of nanoparticles. In order to clarify such a real underlying problem, atomistic calculations are carried out in the present paper for various spherical face-centered-cubic (fcc) metallic nanoparticles. Both the embedded atom method (EAM) potential and the modified embedded atom method (MEAM) one are adopted. It is found that the size-dependent trend of surface energy density of nanoparticles is not governed by the chosen potential function or variation trend of surface energy, but by the defined radius of spherical nanoparticles in MD models. The finding in the present paper should be helpful for further theoretical studies on surface/interface effect of nanoparticles and nanoparticle-reinforced composites.

On the effects of cluster density and concentration on the horizontal branch morphology - The origin of the blue tails

NASA Technical Reports Server (NTRS)

Fusi Pecci, F.; Ferraro, F. R.; Bellazzini, M.; Djorgovski, S.; Piotto, G.; Buonanno, R.

1993-01-01

Possible relationships between horizontal branch (HB) morphology in Galactic globular clusters and the cluster structure and dynamical evolution are investigated. New HB observables are defined and determined using a theoretical framework deduced from HB models. Data for 53 Galactic globular clusters are used to obtain correlations between the observables. It is found that the net length of the HB and the presence and extent of blue tails in particular are correlated with the cluster density and concentrations, in the sense of more concentrated or denser clusters having bluer and longer HB morphologies. This effect is especially strong for the intermediate metallicity clusters. Thus, the cluster environment can affect the stellar evolution leading to the HB and therefore the HB morphology. This result is interpreted in terms of an enhanced mass removal from the HB progenitors.

A spatial approach for the epidemiology of antibiotic use and resistance in community-based studies: the emergence of urban clusters of Escherichia coli quinolone resistance in Sao Paulo, Brasil

PubMed Central

2011-01-01

Background Population antimicrobial use may influence resistance emergence. Resistance is an ecological phenomenon due to potential transmissibility. We investigated spatial and temporal patterns of ciprofloxacin (CIP) population consumption related to E. coli resistance emergence and dissemination in a major Brazilian city. A total of 4,372 urinary tract infection E. coli cases, with 723 CIP resistant, were identified in 2002 from two outpatient centres. Cases were address geocoded in a digital map. Raw CIP consumption data was transformed into usage density in DDDs by CIP selling points influence zones determination. A stochastic model coupled with a Geographical Information System was applied for relating resistance and usage density and for detecting city areas of high/low resistance risk. Results E. coli CIP resistant cluster emergence was detected and significantly related to usage density at a level of 5 to 9 CIP DDDs. There were clustered hot-spots and a significant global spatial variation in the residual resistance risk after allowing for usage density. Conclusions There were clustered hot-spots and a significant global spatial variation in the residual resistance risk after allowing for usage density. The usage density of 5-9 CIP DDDs per 1,000 inhabitants within the same influence zone was the resistance triggering level. This level led to E. coli resistance clustering, proving that individual resistance emergence and dissemination was affected by antimicrobial population consumption. PMID:21356088

An x-ray study of massive star forming regions with CHANDRA

NASA Astrophysics Data System (ADS)

Wang, Junfeng

2007-08-01

Massive stars are characterized by powerful stellar winds, strong ultraviolet (UV) radiation, and consequently devastating supernovae explosions, which have a profound influence on their natal clouds and galaxy evolution. However, the formation and evolution of massive stars themselves and how their low-mass siblings are affected in the wind-swept and UV-radiation-dominated environment are not well understood. Much of the stellar populations inside of the massive star forming regions (MSFRs) are poorly studied in the optical and IR wavelengths because of observational challenges caused by large distance, high extinction, and heavy contamination from unrelated sources. Although it has long been recognized that X-rays open a new window to sample the young stellar populations residing in the MSFRs, the low angular resolution of previous generation X-ray telescopes has limited the outcome from such studies. The sensitive high spatial resolution X-ray observations enabled by the Chandra X- ray Observatory and the Advanced CCD Imaging Spectrometer (ACIS) have significantly improved our ability to study the X-ray-emitting populations in the MSFRs in the last few years. In this thesis, I analyzed seven high spatial resolution Chandra /ACIS images of two massive star forming complexes, namely the NGC 6357 region hosting the 1 Myr old Pismis 24 cluster (Chapter 3) and the Rosette Complex including the 2 Myr old NGC 2244 cluster immersed in the Rosette Nebula (Chapter 4), embedded clusters in the Rosette Molecular Cloud (RMC; Chapter 5), and a triggered cluster NGC 2237 (Chapter 6). The X-ray sampled stars were studied in great details. The unique power of X-ray selection of young stellar cluster members yielded new knowledge in the stellar populations, the cluster structures, and the star formation histories. The census of cluster members is greatly improved in each region. A large fraction of the X-ray detections have optical or near-infrared (NIR) stellar counterparts (from 2MASS, SIRIUS and FLAMINGOS JHK images), most of which are previously uncatalogued young cluster members. This provides a reliable probe of the rich intermediate-mass and low-mass young stellar populations accompanying the massive OB stars in each region. For example, In the poorly- studied NGC 6357 region, our study increased the number of known members from optical study by a factor of ~40. As a result, normal initial mass functions (IMFs) for NGC 6357 and NGC 2244 were found, inconsistent with the top-heavy IMFs suspected in previous optical studies. The observed X-ray luminosity functions (XLFs) in NGC 6357 and NGC 2244 are compared to the Orion Nebula Cluster XLF, yielding the first estimate of NGC 6357's total cluster population, a few times the known Orion population. For NGC 2244, a total population of ~2000 X-ray-emitting stars is derived, consistent with previous estimate from IR studies. The morphologies and spatial structures of the clusters are investigated with absorption-stratified stellar surface density maps. Small-scale substructures superposed on the spherical clusters are found in NGC 6357 and NGC 2244. Both of their radial stellar density profiles show a power-law cusp around the density peak surrounded by an isothermal sphere. In NGC 2244, the spatial distribution of X-ray stars is strongly concentrated around the central O5 star, HD 46150. The other O4 star HD 46223 has few companions. The X-ray sources in the RMC show three distinctive structures and substructures within them, which include previously known embedded IR clusters and a new unobscured cluster (RMC A). We do not find clear evidence of sequentially triggered formation. The concentration of X-ray identified young stars implies that [Special characters omitted.] 35% of stars could be in a distributed population throughout the RMC region and clustered star formation is the dominant mode in this cloud. The NGC 2237 cluster, similar to RMC A, may have formed from collapse of pre-existing massive molecular clumps accompanying the formation of the NGC 2244 cluster. The spatial distribution of the NIR counterparts to X-ray stars in the optical dark region northwest of NGC 2237 show little evidence of triggered star formation in the pillar objects. The observed inner disk fraction in the MSFRs as indicated by K-band excess appears lower than the IR-excess disk fractions found in the nearby low-mass star formation regions of similar age. An overall K -excess disk frequency of ~6% for X-ray selected stars in the intermediate- to high-mass range in the NGC 6357 region (Chapter 3), and ~10% for stars with mass M [Special characters omitted.] in NGC 2244 (Chapter 4) are derived, which indicates that the inner disks around higher-mass stars evolve more rapidly. The X-ray stars in these regions provide an important new sample for studies of intermediate-mass PMS stars that are not accreting, in addition to the accreting HAeBe stars. The low K -excess disk frequency for X-ray selected stars in the solar mass range in NGC 2244 is intriguing, which may be attributed to different sensitivities to disk materials, selection effects between X-ray samples and IR samples and/or faster disk dissipation due to photoevaporation in the MSFRs. X-ray properties of stars across the mass spectrum are presented. Diversities in the X-ray spectra of O stars are seen, both soft X-ray emission consistent with the microshocks in stellar winds and hard X-ray components signifying magnetically confined winds or close binarity. X-ray luminosities for a sample of stars earlier than B4 in NGC 6357, NGC 2244, and M 17 confirm the long- standing log( L x /L bol ) ~ -7 relation, although larger scatter is seen among the L x /L bol ratios of B-type stars. Low-mass PMS stars frequently show X-ray flaring, including intense flares with luminosities above L x >= 10 32 ergs s - 1 . Diffuse X-ray emission is present in the NGC 6357 region and in the NGC 2244 cluster. The derived luminosity of diffuse emission in NGC 6357 is consistent with the integrated emission from the unresolved PMS stars. The NGC 2244 diffuse emission is likely originated from the wind termination shocks, and hence is truly diffuse in nature. In summary, Chandra X-ray observations offer multifaceted approaches to study the young stellar clusters in MSFRs in depth. Future perspectives with the Spitzer Space Telescope mid-IR observations for a systematic measurement of disk frequencies in X-ray sampled massive clusters and X-ray observations of the earliest phases of massive star formation are discussed.

Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

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

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Fernández-Perea, Ricardo; Madzharova, Fani

2016-06-28

The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van-der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the interaction potential [J. L. F. Da Silva et al., Phys. Rev. Lett. 90, 066104 (2003)]. The extremely small adsorption energy of He atoms on the Mg(0001) surface (below 3 meV) and the delocalized nature and mobility of the surface electrons make the He/Mg(0001) system particularly challenging, even for state-of-the-art vdW-corrected density functional-based (vdW-DFT) approaches [M. P. de Lara-Castells et al., J. Chem. Phys. 143, 194701 (2015)]. In this work, we meet thismore » challenge by applying two different procedures. First, the dispersion-corrected second-order Möller-Plesset perturbation theory (MP2C) approach is adopted, using bare metal clusters of increasing size. Second, the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)] is applied at coupled cluster singles and doubles and perturbative triples level, using embedded cluster models of the metal surface. Both approaches provide clear evidences of the anti-corrugation of the interaction potential: the He atom prefers on-top sites, instead of the expected hollow sites. This is interpreted as a signature of the screening of the He atom by the metal for the on-top configuration. The strong screening in the metal is clearly reflected in the relative contribution of successively deeper surface layers to the main dispersion contribution. Aimed to assist future dynamical simulations, a pairwise potential model for the He/surface interaction as a sum of effective He–Mg pair potentials is also presented, as an improvement of the approximation using isolated He–Mg pairs.« less

Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

NASA Astrophysics Data System (ADS)

de Lara-Castells, María Pilar; Fernández-Perea, Ricardo; Madzharova, Fani; Voloshina, Elena

2016-06-01

The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van-der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the interaction potential [J. L. F. Da Silva et al., Phys. Rev. Lett. 90, 066104 (2003)]. The extremely small adsorption energy of He atoms on the Mg(0001) surface (below 3 meV) and the delocalized nature and mobility of the surface electrons make the He/Mg(0001) system particularly challenging, even for state-of-the-art vdW-corrected density functional-based (vdW-DFT) approaches [M. P. de Lara-Castells et al., J. Chem. Phys. 143, 194701 (2015)]. In this work, we meet this challenge by applying two different procedures. First, the dispersion-corrected second-order Möller-Plesset perturbation theory (MP2C) approach is adopted, using bare metal clusters of increasing size. Second, the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)] is applied at coupled cluster singles and doubles and perturbative triples level, using embedded cluster models of the metal surface. Both approaches provide clear evidences of the anti-corrugation of the interaction potential: the He atom prefers on-top sites, instead of the expected hollow sites. This is interpreted as a signature of the screening of the He atom by the metal for the on-top configuration. The strong screening in the metal is clearly reflected in the relative contribution of successively deeper surface layers to the main dispersion contribution. Aimed to assist future dynamical simulations, a pairwise potential model for the He/surface interaction as a sum of effective He-Mg pair potentials is also presented, as an improvement of the approximation using isolated He-Mg pairs.

Functional connectivity analysis of the neural bases of emotion regulation: A comparison of independent component method with density-based k-means clustering method.

PubMed

Zou, Ling; Guo, Qian; Xu, Yi; Yang, Biao; Jiao, Zhuqing; Xiang, Jianbo

2016-04-29

Functional magnetic resonance imaging (fMRI) is an important tool in neuroscience for assessing connectivity and interactions between distant areas of the brain. To find and characterize the coherent patterns of brain activity as a means of identifying brain systems for the cognitive reappraisal of the emotion task, both density-based k-means clustering and independent component analysis (ICA) methods can be applied to characterize the interactions between brain regions involved in cognitive reappraisal of emotion. Our results reveal that compared with the ICA method, the density-based k-means clustering method provides a higher sensitivity of polymerization. In addition, it is more sensitive to those relatively weak functional connection regions. Thus, the study concludes that in the process of receiving emotional stimuli, the relatively obvious activation areas are mainly distributed in the frontal lobe, cingulum and near the hypothalamus. Furthermore, density-based k-means clustering method creates a more reliable method for follow-up studies of brain functional connectivity.

The distribution of early- and late-type galaxies in the Coma cluster

NASA Technical Reports Server (NTRS)

Doi, M.; Fukugita, M.; Okamura, S.; Turner, E. L.

1995-01-01

The spatial distribution and the morohology-density relation of Coma cluster galaxies are studied using a new homogeneous photmetric sample of 450 galaxies down to B = 16.0 mag with quantitative morphology classification. The sample covers a wide area (10 deg X 10 deg), extending well beyond the Coma cluster. Morphological classifications into early- (E+SO) and late-(S) type galaxies are made by an automated algorithm using simple photometric parameters, with which the misclassification rate is expected to be approximately 10% with respect to early and late types given in the Third Reference Catalogue of Bright Galaxies. The flattened distribution of Coma cluster galaxies, as noted in previous studies, is most conspicuously seen if the early-type galaxies are selected. Early-type galaxies are distributed in a thick filament extended from the NE to the WSW direction that delineates a part of large-scale structure. Spiral galaxies show a distribution with a modest density gradient toward the cluster center; at least bright spiral galaxies are present close to the center of the Coma cluster. We also examine the morphology-density relation for the Coma cluster including its surrounding regions.

Gas Density Discontinuities in Merging Clusters

NASA Technical Reports Server (NTRS)

Mushotzky, Richard (Technical Monitor); Markevitch, Maxim

2005-01-01

Chandra has discovered a new phenomenon in galaxy clusters, the sharp gas density edges. Depending on the sign of the temperature jump across the edge, these features may either be bow shocks or cold fronts. While bow shocks obviously are driven by merging sub-clusters, what causes cold fronts is not entirely clear, as they are observed both in mergers and in relaxed clusters. The purpose of the XMM study of A3376, an interesting cluster with density edges, is to understand the origin of cold fronts and to look for possible shocks. The XMM data for A3376 have been mostly analyzed (the X-ray edge turned out to be a cold front). Preliminary results have been shown at a conference and a paper is in preparation. We also have Chandra data for this cluster, and are comparing and combining the two datasets. In the course of analyzing the X-ray data for this cluster as well as several others, it has become apparent that we need the help of hydrodynamic simulations to study the precise mechanism by which cold fronts are formed, the main goal of the present project. A postdoc (Yago Ascasibar) is currently running SPH simulations of an idealized sub- cluster merger. These advanced simulations are nearing completion and two papers with their results are in preparation.

The dark matter distribution of M87 and NGC 1399

NASA Technical Reports Server (NTRS)

Tsai, John C.

1993-01-01

Recent X-ray observations of clusters of galaxies indicate that, outside the innermost about 100 kpc region, the ratio of dark matter density to baryonic matter density declines with radius. We show that this result is consistent with a cold dark matter simulation, suggesting the presence of dissipationless dark matter in the observed clusters. This is contrary to previous suggestions that dissipational baryonic dark matter is required to explain the decline in the density ratio. The simulation further shows that, in the inner 100 kpc region, the density ratio should rise with radius. We confirm this property in M87 and NGC 1399, which are close enough to allow the determination of the density ratio in the required inner region. X-ray mappings of the dark matter distribution in clusters of galaxies are therefore consistent with the presence of dissipationless dark matter.

Cluster and constraint analysis in tetrahedron packings

NASA Astrophysics Data System (ADS)

Jin, Weiwei; Lu, Peng; Liu, Lufeng; Li, Shuixiang

2015-04-01

The disordered packings of tetrahedra often show no obvious macroscopic orientational or positional order for a wide range of packing densities, and it has been found that the local order in particle clusters is the main order form of tetrahedron packings. Therefore, a cluster analysis is carried out to investigate the local structures and properties of tetrahedron packings in this work. We obtain a cluster distribution of differently sized clusters, and peaks are observed at two special clusters, i.e., dimer and wagon wheel. We then calculate the amounts of dimers and wagon wheels, which are observed to have linear or approximate linear correlations with packing density. Following our previous work, the amount of particles participating in dimers is used as an order metric to evaluate the order degree of the hierarchical packing structure of tetrahedra, and an order map is consequently depicted. Furthermore, a constraint analysis is performed to determine the isostatic or hyperstatic region in the order map. We employ a Monte Carlo algorithm to test jamming and then suggest a new maximally random jammed packing of hard tetrahedra from the order map with a packing density of 0.6337.

Systematic Study on the Self-Assembled Hexagonal Au Voids, Nano-Clusters and Nanoparticles on GaN (0001).

PubMed

Pandey, Puran; Sui, Mao; Li, Ming-Yu; Zhang, Quanzhen; Kim, Eun-Soo; Lee, Jihoon

2015-01-01

Au nano-clusters and nanoparticles (NPs) have been widely utilized in various electronic, optoelectronic, and bio-medical applications due to their great potentials. The size, density and configuration of Au NPs play a vital role in the performance of these devices. In this paper, we present a systematic study on the self-assembled hexagonal Au voids, nano-clusters and NPs fabricated on GaN (0001) by the variation of annealing temperature and deposition amount. At relatively low annealing temperatures between 400 and 600°C, the fabrication of hexagonal shaped Au voids and Au nano-clusters are observed and discussed based on the diffusion limited aggregation model. The size and density of voids and nano-clusters can systematically be controlled. The self-assembled Au NPs are fabricated at comparatively high temperatures from 650 to 800°C based on the Volmer-Weber growth model and also the size and density can be tuned accordingly. The results are symmetrically analyzed and discussed in conjunction with the diffusion theory and thermodynamics by utilizing AFM and SEM images, EDS maps and spectra, FFT power spectra, cross-sectional line-profiles and size and density plots.

Systematic Study on the Self-Assembled Hexagonal Au Voids, Nano-Clusters and Nanoparticles on GaN (0001)

PubMed Central

Pandey, Puran; Sui, Mao; Li, Ming-Yu; Zhang, Quanzhen; Kim, Eun-Soo; Lee, Jihoon

2015-01-01

Au nano-clusters and nanoparticles (NPs) have been widely utilized in various electronic, optoelectronic, and bio-medical applications due to their great potentials. The size, density and configuration of Au NPs play a vital role in the performance of these devices. In this paper, we present a systematic study on the self-assembled hexagonal Au voids, nano-clusters and NPs fabricated on GaN (0001) by the variation of annealing temperature and deposition amount. At relatively low annealing temperatures between 400 and 600°C, the fabrication of hexagonal shaped Au voids and Au nano-clusters are observed and discussed based on the diffusion limited aggregation model. The size and density of voids and nano-clusters can systematically be controlled. The self-assembled Au NPs are fabricated at comparatively high temperatures from 650 to 800°C based on the Volmer-Weber growth model and also the size and density can be tuned accordingly. The results are symmetrically analyzed and discussed in conjunction with the diffusion theory and thermodynamics by utilizing AFM and SEM images, EDS maps and spectra, FFT power spectra, cross-sectional line-profiles and size and density plots. PMID:26285135

The extended stellar substructures of four metal-poor globular clusters in the galactic bulge

NASA Astrophysics Data System (ADS)

Chun, Sang-Hyun; Sohn, Young-Jong

2015-08-01

We investigated stellar spatial density distribution around four metal-poor globular clusters (NGC 6266, NGC 6626, NGC 6642 and NGC 6723) in order to find extended stellar substructures. Wide-field deep J, H, and K imaging data were taken using the WFCAM near-infrared array on United Kingdom Infrared Telescope (UKIRT). The contamination of field stars around clusters was minimised by applying a statistical weighted filtering algorithm for the stars on the color-magnitude diagram. In two-dimensional isodensity contour map, we find that all four of the globular clusters shows tidal stripping stellar features in the form of tidal tails (NGC 6266 and NGC 6723) or small density lobes/chunk (NGC 6642 and NGC 6723). The stellar substructures extend toward the Galactic centre or anticancer, and the proper motion direction of the clusters. The radial density profiles of the clusters also depart from theoretical King and Wilson models and show overdensity feature with a break in a slope of profile at the outer region of clusters. The observed results indicate that four globular clusters in the Galactic bulge have experienced strong tidal force or bulge/disk shock effect of the Galaxy. These observational results provide us further constraints to understand the evolution of clusters in the Galactic bulge region as well as the formation of the Galaxy.

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.

Adsorption of gas molecules on Cu impurities embedded monolayer MoS2: A first- principles study

NASA Astrophysics Data System (ADS)

Zhao, B.; Li, C. Y.; Liu, L. L.; Zhou, B.; Zhang, Q. K.; Chen, Z. Q.; Tang, Z.

2016-09-01

Adsorption of small gas molecules (O2, NO, NO2 and NH3) on transition-metal Cu atom embedded monolayer MoS2 was investigated by first-principles calculations based on the density-functional theory (DFT). The embedded Cu atom is strongly constrained on the sulfur vacancy of monolayer MoS2 with a high diffusion barrier. The stable adsorption geometry, charge transfer and electronic structures of these gas molecules on monolayer MoS2 embedded with transition-metal Cu atom are discussed in detail. It is found that the monolayer MoS2 with embedded Cu atom can effectively capture these gas molecules with high adsorption energy. The NH3 molecule acts as electron donor after adsorption, which is different from the other gas molecules (O2, NO, and NO2). The results suggest that MoS2-Cu system may be promising for future applications in gas molecules sensing and catalysis, which is similar to those of the transition-metal embedded graphene.

Examining Sites of Recent Star Formation in the Galactic Center: A Closer Look at the Arched Filaments and H HII Regions

NASA Astrophysics Data System (ADS)

Hankins, Matthew; Herter, Terry; Lau, Ryan; Morris, Mark; Mills, Elisabeth

2018-01-01

In this dissertation presentation, we analyze mid-infrared imaging of the Arched Filaments and H HII regions in the Galactic center taken with the Faint Object Infrared Camera for the SOFIA Telescope (FORCAST). Examining these regions are of great interest because they provide insights on star formation in the Galactic center and the interactions massive stars have with the ISM. The Arched Filaments are a collection of molecular cloud ridges which are ionized by the nearby Arches star cluster, and give the appearance of large (~25 pc) arch-like structures. The H HII regions are a collection of HII regions just to the west of the Arches cluster (~5-15 pc). The origin of the stars powering the H HII regions is uncertain, as they may have formed in a nearby molecular cloud or could be ejected members of the Arches cluster. FORCAST observations of these regions were used to study the morphology and heating structure of the HII regions, as well as constrain their luminosities.Color-temperature maps of the Arched Filaments created with the FORCAST data reveals fairly uniform dust temperatures (~70-100 K) across the length filaments. The temperature uniformity of the clouds can be explained if they are heated by the Arches cluster but are located at a larger distance from the cluster than they appear. The density of the Arched Filaments clouds was estimated from the FORCAST data and was found to be below the threshold for tidal shearing, indicating that that the clouds will be destroyed by the strong tidal field near the Galactic center. To the west of the Arched Filaments, there is an interesting collection of HII regions, referred to as the H HII regions. These regions are likely heated by massive O/B type stars, and the morphology of the dust emission associated with these objects indicate a mixture of potential in situ formation mechanisms and interlopers. Interestingly, FORCAST imaging of the H HII regions also reveal several compact sources, which may be young embedded stars. We discuss these sources in the context of star formation scenarios in the Galactic center.

The WHISPER Relaxation Sounder and the CLUSTER Active Archive

NASA Astrophysics Data System (ADS)

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

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

The kinematics of dense clusters of galaxies. II - The distribution of velocity dispersions

NASA Technical Reports Server (NTRS)

Zabludoff, Ann I.; Geller, Margaret J.; Huchra, John P.; Ramella, Massimo

1993-01-01

From the survey of 31 Abell R above 1 cluster fields within z of 0.02-0.05, we extract 25 dense clusters with velocity dispersions omicron above 300 km/s and with number densities exceeding the mean for the Great Wall of galaxies by one deviation. From the CfA Redshift Survey (in preparation), we obtain an approximately volume-limited catalog of 31 groups with velocity dispersions above 100 km/s and with the same number density limit. We combine these well-defined samples to obtain the distribution of cluster velocity dispersions. The group sample enables us to correct for incompleteness in the Abell catalog at low velocity dispersions. The clusters from the Abell cluster fields populate the high dispersion tail. For systems with velocity dispersions above 700 km/s, approximately the median for R = 1 clusters, the group and cluster abundances are consistent. The combined distribution is consistent with cluster X-ray temperature functions.

Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential

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

Joshi, Subodh, E-mail: subodhssgk@gmail.com; Chand, Manesh, E-mail: maneshchand@gmail.com; Dabral, Krishna, E-mail: kmkrishna.dabral@gmail.com

2016-05-06

A modified embedded atom method (MEAM) potential model up to second neighbours has been used to calculate the phonon dispersions for Ni{sub 0.55}Pd{sub 0.45} alloy in which Pd is introduced as substitutional impurity. Using the force-constants obtained from MEAM potential, the local vibrational density of states in host Ni and substitutional Pd atoms using Green’s function method has been calculated. The calculation of phonon dispersions of NiPd alloy shows a good agreement with the experimental results. Condition of resonance mode has also been investigated and resonance mode in the frequency spectrum of impurity atom at low frequency is observed.

Density control of dodecamanganese clusters anchored on silicon(100).

PubMed

Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Nativo, Paola; Fragalà, Ignazio L; Gatteschi, Dante

2006-04-24

A synthetic strategy to control the density of Mn12 clusters anchored on silicon(100) was investigated. Diluted monolayers suitable for Mn12 anchoring were prepared by Si-grafting mixtures of the methyl 10-undecylenoate precursor ligand with 1-decene spectator spacers. Different ratios of these mixtures were tested. The grafted surfaces were hydrolyzed to reveal the carboxylic groups available for the subsequent exchange with the [Mn12O12(OAc)16(H2O)4]4 H2O2 AcOH cluster. Modified surfaces were analyzed by attenuated total reflection (ATR)-FTIR spectroscopy, X-ray photoemission spectroscopy (XPS), and AFM imaging. Results of XPS and ATR-FTIR spectroscopy show that the surface mole ratio between grafted ester and decene is higher than in the source solution. The surface density of the Mn12 cluster is, in turn, strictly proportional to the ester mole fraction. Well-resolved and isolated clusters were observed by AFM, using a diluted ester/decene 1:1 solution.

YOUNG STELLAR CLUSTERS WITH A SCHUSTER MASS DISTRIBUTION. I. STATIONARY WINDS

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

Palous, Jan; Wuensch, Richard; Hueyotl-Zahuantitla, Filiberto

2013-08-01

Hydrodynamic models for spherically symmetric winds driven by young stellar clusters with a generalized Schuster stellar density profile are explored. For this we use both semi-analytic models and one-dimensional numerical simulations. We determine the properties of quasi-adiabatic and radiative stationary winds and define the radius at which the flow turns from subsonic to supersonic for all stellar density distributions. Strongly radiative winds significantly diminish their terminal speed and thus their mechanical luminosity is strongly reduced. This also reduces their potential negative feedback into their host galaxy interstellar medium. The critical luminosity above which radiative cooling becomes dominant within the clusters,more » leading to thermal instabilities which make the winds non-stationary, is determined, and its dependence on the star cluster density profile, core radius, and half-mass radius is discussed.« less

Two color laser driven THz generation in clustered plasma

NASA Astrophysics Data System (ADS)

Malik, Rakhee; Uma, R.; Kumar, Pawan

2017-07-01

A scheme of terahertz (THz) generation, using nonlinear mixing of two color laser (fundamental ω1 and slightly frequency shifted second harmonic ω2 ) in clustered plasma, is investigated. The lasers exert ponderomotive force on cluster electrons and drive density perturbations at 2 ω1 and ω2-ω1 . The density perturbations beat with the oscillatory velocities to produce nonlinear current at ω2-2 ω1 , generating THz radiation. The radiation is enhanced due to cluster plasmon resonance and by phase matching introduced through a density ripple. The generation involves third order nonlinearity and does not require a magnetic field or inhomogeneity to sustain it. We report THz power conversion efficiency ˜ 10-4 at 1 μm and 0.5 μm wavelengths with intensity ˜ 3 ×1014W/cm 2 .

Adaptive nest clustering and density-dependent nest survival in dabbling ducks

USGS Publications Warehouse

Ringelman, Kevin M.; Eadie, John M.; Ackerman, Joshua T.

2014-01-01

Density-dependent population regulation is observed in many taxa, and understanding the mechanisms that generate density dependence is especially important for the conservation of heavily-managed species. In one such system, North American waterfowl, density dependence is often observed at continental scales, and nest predation has long been implicated as a key factor driving this pattern. However, despite extensive research on this topic, it remains unclear if and how nest density influences predation rates. Part of this confusion may have arisen because previous studies have studied density-dependent predation at relatively large spatial and temporal scales. Because the spatial distribution of nests changes throughout the season, which potentially influences predator behavior, nest survival may vary through time at relatively small spatial scales. As such, density-dependent nest predation might be more detectable at a spatially- and temporally-refined scale and this may provide new insights into nest site selection and predator foraging behavior. Here, we used three years of data on nest survival of two species of waterfowl, mallards and gadwall, to more fully explore the relationship between local nest clustering and nest survival. Throughout the season, we found that the distribution of nests was consistently clustered at small spatial scales (˜50–400 m), especially for mallard nests, and that this pattern was robust to yearly variation in nest density and the intensity of predation. We demonstrated further that local nest clustering had positive fitness consequences – nests with closer nearest neighbors were more likely to be successful, a result that is counter to the general assumption that nest predation rates increase with nest density.

A Comparative Evaluation of Anomaly Detection Algorithms for Maritime Video Surveillance

DTIC Science & Technology

2011-01-01

of k-means clustering and the k- NN Localized p-value Estimator ( KNN -LPE). K-means is a popular distance-based clustering algorithm while KNN -LPE...implemented the sparse cluster identification rule we described in Section 3.1. 2. k-NN Localized p-value Estimator ( KNN -LPE): We implemented this using...Average Density ( KNN -NAD): This was implemented as described in Section 3.4. Algorithm Parameter Settings The global and local density-based anomaly

Broadband and wide-angle light harvesting by ultra-thin silicon solar cells with partially embedded dielectric spheres.

PubMed

Yang, Zhenhai; Shang, Aixue; Qin, Linling; Zhan, Yaohui; Zhang, Cheng; Gao, Pingqi; Ye, Jichun; Li, Xiaofeng

2016-04-01

We propose a design of crystalline silicon thin-film solar cells (c-Si TFSCs, 2 μm-thick) configured with partially embedded dielectric spheres on the light-injecting side. The intrinsic light trapping and photoconversion are simulated by the complete optoelectronic simulation. It shows that the embedding depth of the spheres provides an effective way to modulate and significantly enhance the optical absorption. Compared to the conventional planar and front sphere systems, the optimized partially embedded sphere design enables a broadband, wide-angle, and strong optical absorption and efficient carrier transportation. Optoelectronic simulation predicts that a 2 μm-thick c-Si TFSC with half-embedded spheres shows an increment of more than 10  mA/cm² in short-circuit current density and an enhancement ratio of more than 56% in light-conversion efficiency, compared to the conventional planar counterparts.

Local density approximation in site-occupation embedding theory

NASA Astrophysics Data System (ADS)

Senjean, Bruno; Tsuchiizu, Masahisa; Robert, Vincent; Fromager, Emmanuel

2017-01-01

Site-occupation embedding theory (SOET) is a density functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory is presented here for the Hubbard Hamiltonian. In contrast to conventional DFT approaches, the site (or orbital) occupations are deduced in SOET from a partially interacting system consisting of one (or more) impurity site(s) and non-interacting bath sites. The correlation energy of the bath is then treated implicitly by means of a site-occupation functional. In this work, we propose a simple impurity-occupation functional approximation based on the two-level (2L) Hubbard model which is referred to as two-level impurity local density approximation (2L-ILDA). Results obtained on a prototypical uniform eight-site Hubbard ring are promising. The extension of the method to larger systems and more sophisticated model Hamiltonians is currently in progress.

Irradiation-induced Ag nanocluster nucleation in silicate glasses: Analogy with photography

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

Espiau de Lamaestre, R.; Fontainebleau Research Center, Corning SA, 77210 Avon; Bea, H.

2007-11-15

The synthesis of Ag nanoclusters in soda lime silicate glasses and silica was studied by optical absorption and electron spin resonance experiments under both low (gamma ray) and high (MeV ion) deposited energy density irradiation conditions. Both types of irradiation create electrons and holes whose density and thermal evolution--notably via their interaction with defects--are shown to determine the clustering and growth rates of Ag nanocrystals. We thus establish the influence of redox interactions of defects and silver (poly)ions. The mechanisms are similar to the latent image formation in photography: Irradiation-induced photoelectrons are trapped within the glass matrix, notably on dissolvedmore » noble metal ions and defects, which are thus neutralized (reverse oxidation reactions are also shown to exist). Annealing promotes metal atom diffusion, which, in turn, leads to cluster nuclei formation. The cluster density depends not only on the irradiation fluence but also--and primarily--on the density of deposited energy and the redox properties of the glass. Ion irradiation (i.e., large deposited energy density) is far more effective in cluster formation, despite its lower neutralization efficiency (from Ag{sup +} to Ag{sup 0}) as compared to gamma photon irradiation.« less

Tidal stripping stellar substructures around four metal-poor globular clusters in the galactic bulge

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

Chun, Sang-Hyun; Kang, Minhee; Jung, DooSeok

2015-01-01

We investigate the spatial density configuration of stars around four metal-poor globular clusters (NGC 6266, NGC 6626, NGC 6642, and NGC 6723) in the Galactic bulge region using wide-field deep J, H, and K imaging data obtained with the Wide Field Camera near-infrared array on the United Kingdom Infrared Telescope. A statistical weighted filtering algorithm for the stars on the color–magnitude diagram is applied in order to sort cluster member candidates from the field star contamination. In two-dimensional isodensity contour maps of the clusters, we find that all four of the globular clusters exhibit strong evidence of tidally stripped stellarmore » features beyond the tidal radius in the form of tidal tails or small density lobes/chunks. The orientations of the extended stellar substructures are likely to be associated with the effect of dynamic interaction with the Galaxy and the cluster's space motion. The observed radial density profiles of the four globular clusters also describe the extended substructures; they depart from theoretical King and Wilson models and have an overdensity feature with a break in the slope of the profile at the outer region of clusters. The observed results could imply that four globular clusters in the Galactic bulge region have experienced strong environmental effects such as tidal forces or bulge/disk shocks of the Galaxy during the dynamical evolution of globular clusters. These observational results provide further details which add to our understanding of the evolution of clusters in the Galactic bulge region as well as the formation of the Galaxy.« less

Stand and tree characteristics influencing density of fir engraver beetle attack scars in white fir

Treesearch

George T. Ferrell

1973-01-01

Density of embedded scars resulting from old fir engraver (Scolytus ventralis Lec.) attacks was assessed in 3,430 bole cross sections cut from 603 white firs growing in both cutover and in virgin old-growth stands in northern California. Mean scar density was directly related to percentage of mature stand removed by logging and was higher in...

Analysis of the Structures and Properties of (GaSb)n (n = 4-9) Clusters through Density Functional Theory.

PubMed

Lu, Qi Liang; Luo, Qi Quan; Huang, Shou Guo; Li, Yi De; Wan, Jian Guo

2016-07-07

An optimization strategy combining global semiempirical quantum mechanical search with all-electron density functional theory was adopted to determine the lowest energy structure of (GaSb)n clusters up to n = 9. The growth pattern of the clusters differed from those of previously reported group III-V binary clusters. A cagelike configuration was found for cluster sizes n ≤ 7. The structure of (GaSb)6 deviated from that of other III-V clusters. Competition existed between core-shell and hollow cage structures of (GaSb)7. Novel noncagelike structures were energetically preferred over the cages for the (GaSb)8 and (GaSb)9 clusters. Electronic properties, such as vertical ionization potential, adiabatic electron affinities, HOMO-LUMO gaps, and average on-site charges on Ga or Sb atoms, as well as binding energies, were computed.

A Geophysical Model for the Origin of Volcano Vent Clusters in a Colorado Plateau Volcanic Field

NASA Astrophysics Data System (ADS)

Deng, Fanghui; Connor, Charles B.; Malservisi, Rocco; Connor, Laura J.; White, Jeremy T.; Germa, Aurelie; Wetmore, Paul H.

2017-11-01

Variation in spatial density of Quaternary volcanic vents, and the occurrence of vent clusters, correlates with boundaries in Proterozoic crust in the Springerville volcanic field (SVF), Arizona, USA. Inverse modeling using 538 gravity measurements shows that vent clusters correlate with gradients in the gravity field due to lateral variation in crustal density. These lateral discontinuities in the crustal density can be explained by boundaries in the North American crust formed during Proterozoic accretion. Spatial density of volcanic vents is low in regions of high-density Proterozoic crust, high in areas of relatively low density Proterozoic crust, and is greatest adjacent to crustal boundaries. Vent alignments parallel these boundaries. We have developed 2-D and 3-D numerical models of magma ascent through the crust to simulate long-term, average magma migration that led to the development of vent clusters in the SVF, assuming that a viscous fluid flow through a porous media is statistically equivalent to magma migration averaged over geological time in the full field scale. The location and flux from the uniform magma source region are boundary conditions of the model. Changes in model diffusivity, associated with changes in the bulk properties of the lithosphere, can simulate preferential magma migration paths and alter estimated magma flux at the surface, implying that large-scale crustal structures, such as inherited tectonic block boundaries, influence magma ascent and clustering of volcanic vents. Probabilistic models of volcanic hazard for distributed volcanic fields can be improved by identifying crustal structures and assessing their impact on volcano distribution with the use of numerical models.

Quasistatic antiferromagnetism in the quantum wells of SmTiO3/SrTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Need, Ryan F.; Marshall, Patrick B.; Kenney, Eric; Suter, Andreas; Prokscha, Thomas; Salman, Zaher; Kirby, Brian J.; Stemmer, Susanne; Graf, Michael J.; Wilson, Stephen D.

2018-03-01

High carrier density quantum wells embedded within a Mott insulating matrix present a rich arena for exploring unconventional electronic phase behavior ranging from non-Fermi-liquid transport and signatures of quantum criticality to pseudogap formation. Probing the proposed connection between unconventional magnetotransport and incipient electronic order within these quantum wells has however remained an enduring challenge due to the ultra-thin layer thicknesses required. Here we address this challenge by exploring the magnetic properties of high-density SrTiO3 quantum wells embedded within the antiferromagnetic Mott insulator SmTiO3 via muon spin relaxation and polarized neutron reflectometry measurements. The one electron per planar unit cell acquired by the nominal d0 band insulator SrTiO3 when embedded within a d1 Mott SmTiO3 matrix exhibits slow magnetic fluctuations that begin to freeze into a quasistatic spin state below a critical temperature T*. The appearance of this quasistatic well magnetism coincides with the previously reported opening of a pseudogap in the tunneling spectra of high carrier density wells inside this film architecture. Our data suggest a common origin of the pseudogap phase behavior in this quantum critical oxide heterostructure with those observed in bulk Mott materials close to an antiferromagnetic instability.

Spectroscopy of Luminous Compact Blue Galaxies in Distant Clusters. I. Spectroscopic Data

NASA Astrophysics Data System (ADS)

Crawford, Steven M.; Wirth, Gregory D.; Bershady, Matthew A.; Hon, Kimo

2011-11-01

We used the DEIMOS spectrograph on the Keck II Telescope to obtain spectra of galaxies in the fields of five distant, rich galaxy clusters over the redshift range 0.5 < z < 0.9 in a search for luminous compact blue galaxies (LCBGs). Unlike traditional studies of galaxy clusters, we preferentially targeted blue cluster members identified via multi-band photometric pre-selection based on imaging data from the WIYN telescope. Of the 1288 sources that we targeted, we determined secure spectroscopic redshifts for 848 sources, yielding a total success rate of 66%. Our redshift measurements are in good agreement with those previously reported in the literature, except for 11 targets which we believe were previously in error. Within our sample, we confirm the presence of 53 LCBGs in the five galaxy clusters. The clusters all stand out as distinct peaks in the redshift distribution of LCBGs with the average number density of LCBGs ranging from 1.65 ± 0.25 Mpc-3 at z = 0.55 to 3.13 ± 0.65 Mpc-3 at z = 0.8. The number density of LCBGs in clusters exceeds the field density by a factor of 749 ± 116 at z = 0.55; at z = 0.8, the corresponding ratio is E = 416 ± 95. At z = 0.55, this enhancement is well above that seen for blue galaxies or the overall cluster population, indicating that LCBGs are preferentially triggered in high-density environments at intermediate redshifts. Based in part on data obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA, and was made possible by the generous financial support of the W. M. Keck Foundation.

Biomarker discovery for colon cancer using a 761 gene RT-PCR assay.

PubMed

Clark-Langone, Kim M; Wu, Jenny Y; Sangli, Chithra; Chen, Angela; Snable, James L; Nguyen, Anhthu; Hackett, James R; Baker, Joffre; Yothers, Greg; Kim, Chungyeul; Cronin, Maureen T

2007-08-15

Reverse transcription PCR (RT-PCR) is widely recognized to be the gold standard method for quantifying gene expression. Studies using RT-PCR technology as a discovery tool have historically been limited to relatively small gene sets compared to other gene expression platforms such as microarrays. We have recently shown that TaqMan RT-PCR can be scaled up to profile expression for 192 genes in fixed paraffin-embedded (FPE) clinical study tumor specimens. This technology has also been used to develop and commercialize a widely used clinical test for breast cancer prognosis and prediction, the Onco typeDX assay. A similar need exists in colon cancer for a test that provides information on the likelihood of disease recurrence in colon cancer (prognosis) and the likelihood of tumor response to standard chemotherapy regimens (prediction). We have now scaled our RT-PCR assay to efficiently screen 761 biomarkers across hundreds of patient samples and applied this process to biomarker discovery in colon cancer. This screening strategy remains attractive due to the inherent advantages of maintaining platform consistency from discovery through clinical application. RNA was extracted from formalin fixed paraffin embedded (FPE) tissue, as old as 28 years, from 354 patients enrolled in NSABP C-01 and C-02 colon cancer studies. Multiplexed reverse transcription reactions were performed using a gene specific primer pool containing 761 unique primers. PCR was performed as independent TaqMan reactions for each candidate gene. Hierarchal clustering demonstrates that genes expected to co-express form obvious, distinct and in certain cases very tightly correlated clusters, validating the reliability of this technical approach to biomarker discovery. We have developed a high throughput, quantitatively precise multi-analyte gene expression platform for biomarker discovery that approaches low density DNA arrays in numbers of genes analyzed while maintaining the high specificity, sensitivity and reproducibility that are characteristics of RT-PCR. Biomarkers discovered using this approach can be transferred to a clinical reference laboratory setting without having to re-validate the assay on a second technology platform.

The cosmological dependence of cluster density profiles

NASA Technical Reports Server (NTRS)

Crone, Mary M.; Evrard, August E.; Richstone, Douglas O.

1994-01-01

We use N-body simulations to study the shape of mean cluster density and velocity profiles in the nonlinear regime formed via gravitational instability. The dependence of the final structure on both cosmology and initial density field is examined, using a grid of cosmologies and scale-free initial power spectra P(k) varies as k(exp n). Einstein-de Sitter, open (Omega(sub 0) = 0.2 and 0.1) and flat, low density (Omega(sub 0) = 0.2 lambda(sub 0) = 0.8) models are examined, with initial spectral indices n = -2, -1 and 0. For each model, we stack clusters in an appropriately scaled manner to define an average density profile in the nonlinear regime. The profiles are well fit by a power law rho(r) varies as r(exp -alpha) for radii whereat the local density contrast is between 100 and 3000. This covers 99% of the cluster volume. We find a clear trend toward steeper slopes (larger alphas) with both increasing n and decreasing Omega(sub 0). The Omega(sub 0) dependence is partially masked by the n dependence; there is degeneracy in the values of alpha between the Einstein-de Sitter and flat, low-density cosmologies. However, the profile slopes in the open models are consistently higher than the Omega = 1 values for the range of n examined. Cluster density profiles are thus potentially useful cosmological diagnostics. We find no evidence for a constant density core in any of the models, although the density profiles do tend to flatten at small radii. Much of the flattening is due to the force softening required by the simulations. An attempt is made to recover the unsoftened profiles assuming angular momentum invariance. The recovered profiles in Einstein-de Sitter cosmologies are consistent with a pure power law up to the highest density contrasts (10(exp 6)) accessible with our resolution. The low-density models show significant deviation from a power law above density contrasts approximately 10(exp 5). We interpret this curvature as reflecting the non-scale-invariant nature of the background cosmology in these models. These results are at the limit of our resolution and so should be tested in the future using simulations with larger numbers of particles. Such simulations will also provide insight on the broader problem of understanding, in a statistical sense, the full phase space structure of collapsed, cosmological halos.

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.

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.

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.

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.

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.

Geometric, electronic, and bonding properties of AuNM (N = 1-7, M = Ni, Pd, Pt) clusters.

PubMed

Yuan, D W; Wang, Yang; Zeng, Zhi

2005-03-15

Employing first-principles methods, based on density functional theory, we report the ground state geometric and electronic structures of gold clusters doped with platinum group atoms, Au(N)M (N = 1-7, M = Ni, Pd, Pt). The stability and electronic properties of Ni-doped gold clusters are similar to that of pure gold clusters with an enhancement of bond strength. Due to the strong d-d or s-d interplay between impurities and gold atoms originating in the relativistic effects and unique properties of dopant delocalized s-electrons in Pd- and Pt-doped gold clusters, the dopant atoms markedly change the geometric and electronic properties of gold clusters, and stronger bond energies are found in Pt-doped clusters. The Mulliken populations analysis of impurities and detailed decompositions of bond energies as well as a variety of density of states of the most stable dopant gold clusters are given to understand the different effects of individual dopant atom on bonding and electronic properties of dopant gold clusters. From the electronic properties of dopant gold clusters, the different chemical reactivity toward O(2), CO, or NO molecule is predicted in transition metal-doped gold clusters compared to pure gold clusters.

Deadly Dark Matter Cusps versus Faint and Extended Star Clusters: Eridanus II and Andromeda XXV

NASA Astrophysics Data System (ADS)

Amorisco, Nicola C.

2017-07-01

The recent detection of two faint and extended star clusters in the central regions of two Local Group dwarf galaxies, Eridanus II and Andromeda XXV, raises the question of whether clusters with such low densities can survive the tidal field of cold dark matter halos with central density cusps. Using both analytic arguments and a suite of collisionless N-body simulations, I show that these clusters are extremely fragile and quickly disrupted in the presence of central cusps ρ ˜ {r}-α with α ≳ 0.2. Furthermore, the scenario in which the clusters were originally more massive and sank to the center of the halo requires extreme fine tuning and does not naturally reproduce the observed systems. In turn, these clusters are long lived in cored halos, whose central regions are safe shelters for α ≲ 0.2. The only viable scenario for hosts that have preserved their primordial cusp to the present time is that the clusters formed at rest at the bottom of the potential, which is easily tested by measurement of the clusters proper velocity within the host. This offers means to readily probe the central density profile of two dwarf galaxies as faint as {L}V˜ 5× {10}5 {L}⊙ and {L}V˜ 6× {10}4 {L}⊙ , in which stellar feedback is unlikely to be effective.

Cosmological constraints from Chandra observations of galaxy clusters.

PubMed

Allen, Steven W

2002-09-15

Chandra observations of rich, relaxed galaxy clusters allow the properties of the X-ray gas and the total gravitating mass to be determined precisely. Here, we present results for a sample of the most X-ray luminous, dynamically relaxed clusters known. We show that the Chandra data and independent gravitational lensing studies provide consistent answers on the mass distributions in the clusters. The mass profiles exhibit a form in good agreement with the predictions from numerical simulations. Combining Chandra results on the X-ray gas mass fractions in the clusters with independent measurements of the Hubble constant and the mean baryonic matter density in the Universe, we obtain a tight constraint on the mean total matter density of the Universe, Omega(m), and an interesting constraint on the cosmological constant, Omega(Lambda). We also describe the 'virial relations' linking the masses, X-ray temperatures and luminosities of galaxy clusters. These relations provide a key step in linking the observed number density and spatial distribution of clusters to the predictions from cosmological models. The Chandra data confirm the presence of a systematic offset of ca. 40% between the normalization of the observed mass-temperature relation and the predictions from standard simulations. This finding leads to a significant revision of the best-fit value of sigma(8) inferred from the observed temperature and luminosity functions of clusters.

Structural parameters of young star clusters: fractal analysis

NASA Astrophysics Data System (ADS)

Hetem, A.

2017-07-01

A unified view of star formation in the Universe demand detailed and in-depth studies of young star clusters. This work is related to our previous study of fractal statistics estimated for a sample of young stellar clusters (Gregorio-Hetem et al. 2015, MNRAS 448, 2504). The structural properties can lead to significant conclusions about the early stages of cluster formation: 1) virial conditions can be used to distinguish warm collapsed; 2) bound or unbound behaviour can lead to conclusions about expansion; and 3) fractal statistics are correlated to the dynamical evolution and age. The technique of error bars estimation most used in the literature is to adopt inferential methods (like bootstrap) to estimate deviation and variance, which are valid only for an artificially generated cluster. In this paper, we expanded the number of studied clusters, in order to enhance the investigation of the cluster properties and dynamic evolution. The structural parameters were compared with fractal statistics and reveal that the clusters radial density profile show a tendency of the mean separation of the stars increase with the average surface density. The sample can be divided into two groups showing different dynamic behaviour, but they have the same dynamic evolution, since the entire sample was revealed as being expanding objects, for which the substructures do not seem to have been completely erased. These results are in agreement with the simulations adopting low surface densities and supervirial conditions.

N-body experiments and missing mass in clusters of galaxies

NASA Technical Reports Server (NTRS)

Smith, H.; Hintzen, P.; Sofia, S.; Oegerle, W.; Scott, J.; Holman, G.

1979-01-01

It is commonly assumed that the distributions of surface density and radial-velocity dispersion in clusters of galaxies are sensitive tracers of the underlying distribution of any unseen mass. N-body experiments have been used to test this assumption. Calculations with equal-mass systems indicate that the effects of the underlying mass distribution cannot be detected by observations of the surface-density or radial-velocity distributions, and the existence of an extended binding mass in all well-studied clusters would be consistent with available observations.

Effect of village-wide use of long-lasting insecticidal nets on visceral Leishmaniasis vectors in India and Nepal: a cluster randomized trial.

PubMed

Picado, Albert; Das, Murari L; Kumar, Vijay; Kesari, Shreekant; Dinesh, Diwakar S; Roy, Lalita; Rijal, Suman; Das, Pradeep; Rowland, Mark; Sundar, Shyam; Coosemans, Marc; Boelaert, Marleen; Davies, Clive R

2010-01-26

Visceral leishmaniasis (VL) control in the Indian subcontinent is currently based on case detection and treatment, and on vector control using indoor residual spraying (IRS). The use of long-lasting insecticidal nets (LN) has been postulated as an alternative or complement to IRS. Here we tested the impact of comprehensive distribution of LN on the density of Phlebotomus argentipes in VL-endemic villages. A cluster-randomized controlled trial with household P. argentipes density as outcome was designed. Twelve clusters from an ongoing LN clinical trial--three intervention and three control clusters in both India and Nepal--were selected on the basis of accessibility and VL incidence. Ten houses per cluster selected on the basis of high pre-intervention P. argentipes density were monitored monthly for 12 months after distribution of LN using CDC light traps (LT) and mouth aspiration methods. Ten cattle sheds per cluster were also monitored by aspiration. A random effect linear regression model showed that the cluster-wide distribution of LNs significantly reduced the P. argentipes density/house by 24.9% (95% CI 1.80%-42.5%) as measured by means of LTs. The ongoing clinical trial, designed to measure the impact of LNs on VL incidence, will confirm whether LNs should be adopted as a control strategy in the regional VL elimination programs. The entomological evidence described here provides some evidence that LNs could be usefully deployed as part of the VL control program. ClinicalTrials.gov CT-2005-015374.

Cluster Analysis of Time-Dependent Crystallographic Data: Direct Identification of Time-Independent Structural Intermediates

PubMed Central

Kostov, Konstantin S.; Moffat, Keith

2011-01-01

The initial output of a time-resolved macromolecular crystallography experiment is a time-dependent series of difference electron density maps that displays the time-dependent changes in underlying structure as a reaction progresses. The goal is to interpret such data in terms of a small number of crystallographically refinable, time-independent structures, each associated with a reaction intermediate; to establish the pathways and rate coefficients by which these intermediates interconvert; and thereby to elucidate a chemical kinetic mechanism. One strategy toward achieving this goal is to use cluster analysis, a statistical method that groups objects based on their similarity. If the difference electron density at a particular voxel in the time-dependent difference electron density (TDED) maps is sensitive to the presence of one and only one intermediate, then its temporal evolution will exactly parallel the concentration profile of that intermediate with time. The rationale is therefore to cluster voxels with respect to the shapes of their TDEDs, so that each group or cluster of voxels corresponds to one structural intermediate. Clusters of voxels whose TDEDs reflect the presence of two or more specific intermediates can also be identified. From such groupings one can then infer the number of intermediates, obtain their time-independent difference density characteristics, and refine the structure of each intermediate. We review the principles of cluster analysis and clustering algorithms in a crystallographic context, and describe the application of the method to simulated and experimental time-resolved crystallographic data for the photocycle of photoactive yellow protein. PMID:21244840

Holographic interferometry of transparent media using light scattered by embedded test objects

NASA Technical Reports Server (NTRS)

Prikryl, I.; Vest, C. M.

1982-01-01

Fringe formation and localization in holographic interferometry of transparent media are discussed for configurations in which light enters the medium and is scattered back through it by an embedded diffuse object. Fringe order numbers are doubled, and the fringe localization region is translated and compressed by a factor of two. The results are applicable to tomographic reconstruction of aerodynamic density fields around opaque test objects.

Tantalum induced butterfly-like clusters on Si (111)-7 × 7 surface: STM/STS study at low coverage

NASA Astrophysics Data System (ADS)

Shukrynau, Pavel; Mutombo, Pingo; Švec, Martin; Hietschold, Michael; Cháb, Vladimír

2012-02-01

The adsorption of the small amounts of tantalum on Si (111)-7 × 7 reconstructed surface is investigated systematically using scanning tunneling microscopy and tunneling spectroscopy combined with first-principles density functional theory calculations. We find out that the moderate annealing of the Ta covered surface results in the formation of clusters of the butterfly-like shape. The clusters are sporadically distributed over the surface and their density is metal coverage dependent. Filled and empty state STM images of the clusters differ strongly suggesting the existence of covalent bonds within the cluster. Tunneling spectroscopy measurements reveal small energy gap, showing semiconductor-like behavior of the constituent atoms. The cluster model based on experimental images and theoretical calculations has been proposed and discussed. Presented results show that Ta joins the family of adsorbates, that are known to form magic clusters on Si (111)-7 × 7, but its magic cluster has the structural and electronic properties that are different from those reported before.

An X-ray Luminous, Distant (z=0.78) Cluster of Galaxies

NASA Technical Reports Server (NTRS)

Donahue, Megan

2001-01-01

This granted funded ASCA studies of the most X-ray luminous clusters of galaxies in the Extended Medium Sensitivity Survey. These studies leveraged further observations with Chandra and sparked a new collaboration between the PI and John Carlstrom's Sunyaev-Zel'dovich team. The major scientific results due largely or in part from these observations: the first z=0.5-0.8 cluster temperature function, constraints on cluster evolution which showed definitively that the density of the universe divided by the critical density, Omega-m, could not be 1.0, constraints on cluster evolution limiting Omega_m to 0.2-0.5, independent of lambda, the first detections of intracluster iron in a z>0.6 cluster of galaxies. These results are independent of the supernova and cosmological microwave background results, and provide independent constraint on cosmological parameters.

Cluster redshifts in five suspected superclusters

NASA Technical Reports Server (NTRS)

Ciardullo, R.; Ford, H.; Harms, R.

1985-01-01

Redshift surveys for rich superclusters were carried out in five regions of the sky containing surface-density enhancements of Abell clusters. While several superclusters are identified, projection effects dominate each field, and no system contains more than five rich clusters. Two systems are found to be especially interesting. The first, field 0136 10, is shown to contain a superposition of at least four distinct superclusters, with the richest system possessing a small velocity dispersion. The second system, 2206 - 22, though a region of exceedingly high Abell cluster surface density, appears to be a remarkable superposition of 23 rich clusters almost uniformly distributed in redshift space between 0.08 and 0.24. The new redshifts significantly increase the three-dimensional information available for the distance class 5 and 6 Abell clusters and allow the spatial correlation function around rich superclusters to be estimated.

Enhanced momentum feedback from clustered supernovae

NASA Astrophysics Data System (ADS)

Gentry, Eric S.; Krumholz, Mark R.; Dekel, Avishai; Madau, Piero

2017-02-01

Young stars typically form in star clusters, so the supernovae (SNe) they produce are clustered in space and time. This clustering of SNe may alter the momentum per SN deposited in the interstellar medium (ISM) by affecting the local ISM density, which in turn affects the cooling rate. We study the effect of multiple SNe using idealized 1D hydrodynamic simulations which explore a large parameter space of the number of SNe, and the background gas density and metallicity. The results are provided as a table and an analytic fitting formula. We find that for clusters with up to ˜100 SNe, the asymptotic momentum scales superlinearly with the number of SNe, resulting in a momentum per SN which can be an order of magnitude larger than for a single SN, with a maximum efficiency for clusters with 10-100 SNe. We argue that additional physical processes not included in our simulations - self-gravity, breakout from a galactic disc, and galactic shear - can slightly reduce the momentum enhancement from clustering, but the average momentum per SN still remains a factor of 4 larger than the isolated SN value when averaged over a realistic cluster mass function for a star-forming galaxy. We conclude with a discussion of the possible role of mixing between hot and cold gas, induced by multidimensional instabilities or pre-existing density variations, as a limiting factor in the build-up of momentum by clustered SNe, and suggest future numerical experiments to explore these effects.

Coalescence of silver clusters by immersion in diluted HF solution

NASA Astrophysics Data System (ADS)

Milazzo, R. G.; Mio, A. M.; D'Arrigo, G.; Grimaldi, M. G.; Spinella, C.; Rimini, E.

2015-07-01

The galvanic displacement deposition of silver on H-terminated Si (100) in the time scale of seconds is instantaneous and characterized by a cluster density of 1011-1012 cm-2. The amount of deposited Ag follows a t1/2 dependence in agreement with a Cottrell diffusion limited mechanism. At the same time, during the deposition, the cluster density reduces by a factor 5. This behavior is in contrast with the assumption of immobile clusters. We show in the present work that coalescence and aggregation occur also in the samples immersed in the diluted hydrofluoric acid (HF) solution without the presence of Ag+. Clusters agglomerate according to a process of dynamic coalescence, typical of colloids, followed by atomic redistribution at the contact regions with the generation of multiple internal twins and stacking-faults. The normalized size distributions in terms of r/rmean follow also the prediction of the Smoluchowski ripening mechanism. No variation of the cluster density occurs for samples immersed in pure H2O solution. The different behavior might be associated to the strong attraction of clusters to oxide-terminated Si surface in presence of water. The silver clusters are instead weakly bound to hydrophobic H-terminated Si in presence of HF. HF causes then the detachment of clusters and a random movement on the silicon surface with mobility of about 10-13 cm2/s. Attractive interaction (probably van der Waals) among particles promotes coarsening.

Information extraction from dynamic PS-InSAR time series using machine learning

NASA Astrophysics Data System (ADS)

van de Kerkhof, B.; Pankratius, V.; Chang, L.; van Swol, R.; Hanssen, R. F.

2017-12-01

Due to the increasing number of SAR satellites, with shorter repeat intervals and higher resolutions, SAR data volumes are exploding. Time series analyses of SAR data, i.e. Persistent Scatterer (PS) InSAR, enable the deformation monitoring of the built environment at an unprecedented scale, with hundreds of scatterers per km2, updated weekly. Potential hazards, e.g. due to failure of aging infrastructure, can be detected at an early stage. Yet, this requires the operational data processing of billions of measurement points, over hundreds of epochs, updating this data set dynamically as new data come in, and testing whether points (start to) behave in an anomalous way. Moreover, the quality of PS-InSAR measurements is ambiguous and heterogeneous, which will yield false positives and false negatives. Such analyses are numerically challenging. Here we extract relevant information from PS-InSAR time series using machine learning algorithms. We cluster (group together) time series with similar behaviour, even though they may not be spatially close, such that the results can be used for further analysis. First we reduce the dimensionality of the dataset in order to be able to cluster the data, since applying clustering techniques on high dimensional datasets often result in unsatisfying results. Our approach is to apply t-distributed Stochastic Neighbor Embedding (t-SNE), a machine learning algorithm for dimensionality reduction of high-dimensional data to a 2D or 3D map, and cluster this result using Density-Based Spatial Clustering of Applications with Noise (DBSCAN). The results show that we are able to detect and cluster time series with similar behaviour, which is the starting point for more extensive analysis into the underlying driving mechanisms. The results of the methods are compared to conventional hypothesis testing as well as a Self-Organising Map (SOM) approach. Hypothesis testing is robust and takes the stochastic nature of the observations into account, but is time consuming. Therefore, we successively apply our machine learning approach with the hypothesis testing approach in order to benefit from both the reduced computation time of the machine learning approach as from the robust quality metrics of hypothesis testing. We acknowledge support from NASA AISTNNX15AG84G (PI V. Pankratius)

Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations

NASA Astrophysics Data System (ADS)

Kurban, Mustafa; Erkoç, Şakir

2017-04-01

Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that, using optimized geometries obtained, excess charge on atoms, dipole moments, highest occupied molecular orbitals, lowest unoccupied molecular orbitals, HOMO-LUMO gaps (Eg) , total energies, spin density and the density of states (DOS) have been calculated with DFT. Simulation results such as heat capacity and segregation formation are compared with experimental bulk and theoretical results.

Role of environmental and antibiotic stress on Staphylococcus epidermidis biofilm microstructure.

PubMed

Stewart, Elizabeth J; Satorius, Ashley E; Younger, John G; Solomon, Michael J

2013-06-11

Cellular clustering and separation of Staphylococcus epidermidis surface adherent biofilms were found to depend significantly on both antibiotic and environmental stress present during growth under steady flow. Image analysis techniques common to colloidal science were applied to image volumes acquired with high-resolution confocal laser scanning microscopy to extract spatial positions of individual bacteria in volumes of size ~30 × 30 × 15 μm(3). The local number density, cluster distribution, and radial distribution function were determined at each condition by analyzing the statistics of the bacterial spatial positions. Environmental stressors of high osmotic pressure (776 mM NaCl) and sublethal antibiotic dose (1.9 μg/mL vancomycin) decreased the average bacterial local number density 10-fold. Device-associated bacterial biofilms are frequently exposed to these environmental and antibiotic stressors while undergoing flow in the bloodstream. Characteristic density phenotypes associated with low, medium, and high local number densities were identified in unstressed S. epidermidis biofilms, while stressed biofilms contained medium- and low-density phenotypes. All biofilms exhibited clustering at length scales commensurate with cell division (~1.0 μm). However, density phenotypes differed in cellular connectivity at the scale of ~6 μm. On this scale, nearly all cells in the high- and medium-density phenotypes were connected into a single cluster with a structure characteristic of a densely packed disordered fluid. However, in the low-density phenotype, the number of clusters was greater, equal to 4% of the total number of cells, and structures were fractal in nature with d(f) =1.7 ± 0.1. The work advances the understanding of biofilm growth, informs the development of predictive models of transport and mechanical properties of biofilms, and provides a method for quantifying the kinetics of bacterial surface colonization as well as biofilm fracture and fragmentation.

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.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

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

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

Role of radial nonuniformities in the interaction of an intense laser with atomic clusters

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

Holkundkar, Amol R.; Gupta, N. K.

A model for the interaction of an intense laser with atomic clusters is presented. The model takes into account the spatial nonuniformities of the cluster as it evolves in time. The cluster is treated as a stratified sphere having an arbitrary number of layers. Electric and magnetic fields are obtained by solving the vector Helmholtz equation coupled with one-dimensional Lagrangian hydrodynamics. Results are compared with the uniform density nanoplasma model. Enhancement in the amount of energy absorbed is seen over the uniform density model. In some cases the absorbed energy increases by as much as a factor of 40.

Scalable Parallel Density-based Clustering and Applications

NASA Astrophysics Data System (ADS)

Patwary, Mostofa Ali

2014-04-01

Recently, density-based clustering algorithms (DBSCAN and OPTICS) have gotten significant attention of the scientific community due to their unique capability of discovering arbitrary shaped clusters and eliminating noise data. These algorithms have several applications, which require high performance computing, including finding halos and subhalos (clusters) from massive cosmology data in astrophysics, analyzing satellite images, X-ray crystallography, and anomaly detection. However, parallelization of these algorithms are extremely challenging as they exhibit inherent sequential data access order, unbalanced workload resulting in low parallel efficiency. To break the data access sequentiality and to achieve high parallelism, we develop new parallel algorithms, both for DBSCAN and OPTICS, designed using graph algorithmic techniques. For example, our parallel DBSCAN algorithm exploits the similarities between DBSCAN and computing connected components. Using datasets containing up to a billion floating point numbers, we show that our parallel density-based clustering algorithms significantly outperform the existing algorithms, achieving speedups up to 27.5 on 40 cores on shared memory architecture and speedups up to 5,765 using 8,192 cores on distributed memory architecture. In our experiments, we found that while achieving the scalability, our algorithms produce clustering results with comparable quality to the classical algorithms.

Use of Spatial Epidemiology and Hot Spot Analysis to Target Women Eligible for Prenatal Women, Infants, and Children Services

PubMed Central

Krawczyk, Christopher; Gradziel, Pat; Geraghty, Estella M.

2014-01-01

Objectives. We used a geographic information system and cluster analyses to determine locations in need of enhanced Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) Program services. Methods. We linked documented births in the 2010 California Birth Statistical Master File with the 2010 data from the WIC Integrated Statewide Information System. Analyses focused on the density of pregnant women who were eligible for but not receiving WIC services in California’s 7049 census tracts. We used incremental spatial autocorrelation and hot spot analyses to identify clusters of WIC-eligible nonparticipants. Results. We detected clusters of census tracts with higher-than-expected densities, compared with the state mean density of WIC-eligible nonparticipants, in 21 of 58 (36.2%) California counties (P < .05). In subsequent county-level analyses, we located neighborhood-level clusters of higher-than-expected densities of eligible nonparticipants in Sacramento, San Francisco, Fresno, and Los Angeles Counties (P < .05). Conclusions. Hot spot analyses provided a rigorous and objective approach to determine the locations of statistically significant clusters of WIC-eligible nonparticipants. Results helped inform WIC program and funding decisions, including the opening of new WIC centers, and offered a novel approach for targeting public health services. PMID:24354821

Conservation value of clustered housing developments.

PubMed

Lenth, Buffy A; Knight, Richard L; Gilgert, Wendell C

2006-10-01

Traditionally, exurban lands in Colorado have been subdivided into a grid of parcels ranging from 2 to 16 ha. From an ecological perspective, this dispersed pattern of development effectively maximizes the individual influence of each home on the land. Clustered housing developments, designed to maximize open space, are assumed to benefit plant and wildlife communities of conservation interest. They have become a popular alternative for rural development despite the lack of empirical evidence demonstrating their conservation benefits. To better inform rural land-use planning, we evaluated clustered housing developments by comparing their spatial pattern with that of dispersed housing developments and by comparing their conservation value with that of both dispersed housing developments and undeveloped areas in Boulder County, Colorado. We used four indicators to assess conservation value: (1) densities of songbirds, (2) nest density and survival of ground-nesting birds, (3) presence of mammals, and (4) percent cover and proportion of native and non-native plant species. Clustered and dispersed housing developments did not differ on the majority of variables we examined. Both types of housing development had significantly higher densities of non-native and human-commensal species and significantly lower densities of native and human-sensitive species than undeveloped areas. More rigorous ecological guidelines and planning on a regional scale may help create clustered developments with higher conservation value.

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.

NGC 3503 and its molecular environment

NASA Astrophysics Data System (ADS)

Duronea, N. U.; Vasquez, J.; Cappa, C. E.; Corti, M.; Arnal, E. M.

2012-01-01

Aims: We present a study of the molecular gas and interstellar dust distribution in the environs of the Hii region NGC 3503 associated with the open cluster Pis 17 with the aim of investigating the spatial distribution of the molecular gas linked to the nebula and achieving a better understanding of the interaction of the nebula and Pis 17 with their molecular environment. Methods: We based our study on 12CO(1-0) observations of a region of ~0.6° in size obtained with the 4-m NANTEN telescope, unpublished radio continuum data at 4800 and 8640 MHz obtained with the ATCA telescope, radio continuum data at 843 MHz obtained from SUMSS, and available IRAS, MSX, IRAC-GLIMPSE, and MIPSGAL images. Results: We found a molecular cloud (Component 1) having a mean velocity of -24.7 km s-1 ,compatible with the velocity of the ionized gas, which is associated with the nebula and its surroundings. Adopting a distance of 2.9 ± 0.4 kpc, the total molecular mass yields (7.6 ± 2.1) × 103M⊙ and density yields 400 ± 240 cm-3. The radio continuum data confirm the existence of an electron density gradient in NGC 3503. The IR emission shows a PDR bordering the higher density regions of the nebula. The spatial distribution of the CO emission shows that the nebula coincides with a molecular clump, and the strongest CO emission peak is located close to the higher electron density region. The more negative velocities of the molecular gas (about -27 km s-1), are coincident with NGC 3503. Candidate young stellar objects (YSOs) were detected toward the Hii region, suggesting that embedded star formation may be occurring in the neighborhood of the nebula. The clear electron density gradient, along with the spatial distribution of the molecular gas and PAHs in the region indicates that NGC 3503 is a blister-type Hii region that has probably undergone a champagne phase.

A density functional study of second-row dicarbides C2X (X = Na-Cl) with carbon monosulfide molecule: molecular structure and bonding mechanism

NASA Astrophysics Data System (ADS)

Parida, Saroj K.; Sahu, Sridhar

2018-05-01

In present work, a systematic study regarding molecular structure, and bonding mechanism of carbon monosulfide (CS) on second-row dicarbides C2X with (X = Na-Cl) has been investigated within the framework of density functional theory (DFT). In presence of carbon monosulfide molecule, the structures of C2Na, C2Mg, C2Al, and C2Si are found be changed from cyclic to linear, whereas geometries of C2P, C2S, and C2Cl clusters are almost remain unchanged. Interestingly, the bare carbon monosulfide molecule is attached with carbon site of bare C2X clusters rather than the second-row elements (X = Na-Cl). Furthermore, the nature of bonding in C2XCS clusters has been studiedthrough Bader's topological analysis of the electron charge density distribution ρ(r), Laplacian ∇2 ρ(r) and total energy density H BCP at the bond critical points (BCPs) of the clusters within the framework of the atoms in molecules theory (AIM). In C2XCS clusters, electron density at the bond critical point ρ(r) > 0.30 a.u. with negative values of Laplacian ∇2 ρ(r) indicates shared-kind of interactions between both the carbon atoms of C2X and CS molecule. In addition, we also analyze IR spectra that could assist for the experimental detection.

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

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.

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

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

[Amplicon density-weighted algorithms for analyzing dissimilarity and dynamic alterations of RAPD polymorphisms of Cordyceps sinensis].

PubMed

Yao, Yi-sang; Gao, Ling; Li, Yu-ling; Ma, Shao-li; Wu, Zi-mei; Tan, Ning-zhi; Wu, Jian-yong; Ni, Lu-qun; Zhu, Jia-shi

2014-08-18

To examine the dynamic maturational alterations of random amplified polymorphic DNA (RAPD) molecular marker polymorphism resulted from differential expressions of multiple fungi in the caterpillar body, stroma and ascocarp portion of Cordyceps sinensis (Cs). Used the fuzzy, integral RAPD molecular marker polymorphism method with 20 random primers; used density-weighted cluster algorithms and ZUNIX similarity equations; compared RAPD polymorphisms of the caterpillar body, stroma and ascocarp of Cs during maturation; and compared RAPD polymorphisms of Cs and Hirsutella sinensis (Hs). Density-unweighted algorithms neglected the differences in density of the DNA amplicons. Use of the density-weighted ZUNIX similarity equations and the clustering method integrated components of the amplicon density differences in similarity computations and clustering construction and prevented from the loss of the information of fungal genomes. An overall similarity 0.42 (< the overall dissimilarity 0.58) was observed for all compartments of Cs at different maturation stages. The similarities for the stromata or caterpillar bodies of Cs at 3 maturational stages were 0.57 or 0.50, respectively. During Cs maturation, there were dynamic Low→High→Low alterations of the RAPD polymorphisms between stromata and caterpillar bodies dissected from the same pieces of Cs. The polymorphic similarity was the highest (0.87) between the ascocarp and mature stroma, forming a clustering clade, while the premature stroma and caterpillar body formed another clade. These 2 clades merged into one cluster. Another clade containing the maturing stroma and caterpillar body merged with mature caterpillar body, forming another cluster. The RAPD polymorphic similarities between Hs and Cs samples were 0.55-0.69. Hs were separated from Cs clusters by the out-group control Paecilomyces militaris. The wealthy RAPD polymorphisms change dynamically in the Cs compartments with maturation. The different RAPD polymorphism for Hs from those for Cs supports the hypothesis of integrated micro-ecosystem Cs with multiple fungi, but does not support the "single fungal species" hypothesis for Cs and the anamorph-teleomorph connection between Hs and Cs.

A Wide-Field Photometric Survey for Extratidal Tails Around Five Metal-Poor Globular Clusters in the Galactic Halo

NASA Astrophysics Data System (ADS)

Chun, Sang-Hyun; Kim, Jae-Woo; Sohn, Sangmo T.; Park, Jang-Hyun; Han, Wonyong; Kim, Ho-Il; Lee, Young-Wook; Lee, Myung Gyoon; Lee, Sang-Gak; Sohn, Young-Jong

2010-02-01

Wide-field deep g'r'i' images obtained with the Megacam of the Canada-France-Hawaii Telescope are used to investigate the spatial configuration of stars around five metal-poor globular clusters M15, M30, M53, NGC 5053, and NGC 5466, in a field-of-view ~3°. Applying a mask filtering algorithm to the color-magnitude diagrams of the observed stars, we sorted cluster's member star candidates that are used to examine the characteristics of the spatial stellar distribution surrounding the target clusters. The smoothed surface density maps and the overlaid isodensity contours indicate that all of the five metal-poor globular clusters exhibit strong evidence of extratidal overdensity features over their tidal radii, in the form of extended tidal tails around the clusters. The orientations of the observed extratidal features show signatures of tidal tails tracing the clusters' orbits, inferred from their proper motions, and effects of dynamical interactions with the Galaxy. Our findings include detections of a tidal bridge-like feature and an envelope structure around the pair of globular clusters M53 and NGC 5053. The observed radial surface density profiles of target clusters have a deviation from theoretical King models, for which the profiles show a break at 0.5-0.7rt , extending the overdensity features out to 1.5-2rt . Both radial surface density profiles for different angular sections and azimuthal number density profiles confirm the overdensity features of tidal tails around the five metal-poor globular clusters. Our results add further observational evidence that the observed metal-poor halo globular clusters originate from an accreted satellite system, indicative of the merging scenario of the formation of the Galactic halo. Based on observations carried out at the Canada-France-Hawaii Telescope, operated by the National Research Council of Canada, the Centre National de la Recherche Scientifique de France, and the University of Hawaii. This is part of the Searching for the Galactic Halo project using the CFHT, organized by the Korea Astronomy and Space Science Institute.

High-Performance Li-Ion Capacitor Based on an Activated Carbon Cathode and Well-Dispersed Ultrafine TiO2 Nanoparticles Embedded in Mesoporous Carbon Nanofibers Anode.

PubMed

Yang, Cheng; Lan, Jin-Le; Liu, Wen-Xiao; Liu, Yuan; Yu, Yun-Hua; Yang, Xiao-Ping

2017-06-07

A novel Li-ion capacitor based on an activated carbon cathode and a well-dispersed ultrafine TiO 2 nanoparticles embedded in mesoporous carbon nanofibers (TiO 2 @PCNFs) anode was reported. A series of TiO 2 @PCNFs anode materials were prepared via a scalable electrospinning method followed by carbonization and a postetching method. The size of TiO 2 nanoparticles and the mesoporous structure of the TiO 2 @PCNFs were tuned by varying amounts of tetraethyl orthosilicate (TEOS) to increase the energy density and power density of the LIC significantly. Such a subtle designed LIC displayed a high energy density of 67.4 Wh kg -1 at a power density of 75 W kg -1 . Meanwhile, even when the power density was increased to 5 kW kg -1 , the energy density can still maintain 27.5 Wh kg -1 . Moreover, the LIC displayed a high capacitance retention of 80.5% after 10000 cycles at 10 A g -1 . The outstanding electrochemical performance can be contributed to the synergistic effect of the well-dispersed ultrafine TiO 2 nanoparticles, the abundant mesoporous structure, and the conductive carbon networks.

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

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.

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.

A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.

PubMed

Riniker, Sereina; van Gunsteren, Wilfred F

2011-02-28

The development of coarse-grained (CG) models that correctly represent the important features of compounds is essential to overcome the limitations in time scale and system size currently encountered in atomistic molecular dynamics simulations. Most approaches reported in the literature model one or several molecules into a single uncharged CG bead. For water, this implicit treatment of the electrostatic interactions, however, fails to mimic important properties, e.g., the dielectric screening. Therefore, a coarse-grained model for water is proposed which treats the electrostatic interactions between clusters of water molecules explicitly. Five water molecules are embedded in a spherical CG bead consisting of two oppositely charged particles which represent a dipole. The bond connecting the two particles in a bead is unconstrained, which makes the model polarizable. Experimental and all-atom simulated data of liquid water at room temperature are used for parametrization of the model. The experimental density and the relative static dielectric permittivity were chosen as primary target properties. The model properties are compared with those obtained from experiment, from clusters of simple-point-charge water molecules of appropriate size in the liquid phase, and for other CG water models if available. The comparison shows that not all atomistic properties can be reproduced by a CG model, so properties of key importance have to be selected when coarse graining is applied. Yet, the CG model reproduces the key characteristics of liquid water while being computationally 1-2 orders of magnitude more efficient than standard fine-grained atomistic water models.

Clustering the Orion B giant molecular cloud based on its molecular emission.

PubMed

Bron, Emeric; Daudon, Chloé; Pety, Jérôme; Levrier, François; Gerin, Maryvonne; Gratier, Pierre; Orkisz, Jan H; Guzman, Viviana; Bardeau, Sébastien; Goicoechea, Javier R; Liszt, Harvey; Öberg, Karin; Peretto, Nicolas; Sievers, Albrecht; Tremblin, Pascal

2018-02-01

Previous attempts at segmenting molecular line maps of molecular clouds have focused on using position-position-velocity data cubes of a single molecular line to separate the spatial components of the cloud. In contrast, wide field spectral imaging over a large spectral bandwidth in the (sub)mm domain now allows one to combine multiple molecular tracers to understand the different physical and chemical phases that constitute giant molecular clouds (GMCs). We aim at using multiple tracers (sensitive to different physical processes and conditions) to segment a molecular cloud into physically/chemically similar regions (rather than spatially connected components), thus disentangling the different physical/chemical phases present in the cloud. We use a machine learning clustering method, namely the Meanshift algorithm, to cluster pixels with similar molecular emission, ignoring spatial information. Clusters are defined around each maximum of the multidimensional Probability Density Function (PDF) of the line integrated intensities. Simple radiative transfer models were used to interpret the astrophysical information uncovered by the clustering analysis. A clustering analysis based only on the J = 1 - 0 lines of three isotopologues of CO proves suffcient to reveal distinct density/column density regimes ( n H ~ 100 cm -3 , ~ 500 cm -3 , and > 1000 cm -3 ), closely related to the usual definitions of diffuse, translucent and high-column-density regions. Adding two UV-sensitive tracers, the J = 1 - 0 line of HCO + and the N = 1 - 0 line of CN, allows us to distinguish two clearly distinct chemical regimes, characteristic of UV-illuminated and UV-shielded gas. The UV-illuminated regime shows overbright HCO + and CN emission, which we relate to a photochemical enrichment effect. We also find a tail of high CN/HCO + intensity ratio in UV-illuminated regions. Finer distinctions in density classes ( n H ~ 7 × 10 3 cm -3 ~ 4 × 10 4 cm -3 ) for the densest regions are also identified, likely related to the higher critical density of the CN and HCO + (1 - 0) lines. These distinctions are only possible because the high-density regions are spatially resolved. Molecules are versatile tracers of GMCs because their line intensities bear the signature of the physics and chemistry at play in the gas. The association of simultaneous multi-line, wide-field mapping and powerful machine learning methods such as the Meanshift clustering algorithm reveals how to decode the complex information available in these molecular tracers.

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.

Naming games in two-dimensional and small-world-connected random geometric networks.

PubMed

Lu, Qiming; Korniss, G; Szymanski, B K

2008-01-01

We investigate a prototypical agent-based model, the naming game, on two-dimensional random geometric networks. The naming game [Baronchelli, J. Stat. Mech.: Theory Exp. (2006) P06014] is a minimal model, employing local communications that captures the emergence of shared communication schemes (languages) in a population of autonomous semiotic agents. Implementing the naming games with local broadcasts on random geometric graphs, serves as a model for agreement dynamics in large-scale, autonomously operating wireless sensor networks. Further, it captures essential features of the scaling properties of the agreement process for spatially embedded autonomous agents. Among the relevant observables capturing the temporal properties of the agreement process, we investigate the cluster-size distribution and the distribution of the agreement times, both exhibiting dynamic scaling. We also present results for the case when a small density of long-range communication links are added on top of the random geometric graph, resulting in a "small-world"-like network and yielding a significantly reduced time to reach global agreement. We construct a finite-size scaling analysis for the agreement times in this case.