WorldWideScience

Sample records for burtoni structure localization

  1. Local communities as meso structures.

    Directory of Open Access Journals (Sweden)

    Ferrand, Alexis

    2002-09-01

    Full Text Available In between micro and macro levels: meso. If macro is defined by national, state or market regulation, and micro by relational interpersonnal regulation, a major agency of intermediate regulation has been defined as "local communities" (Wellmann, Fischer. Apart the organizational (local organizations, clubs, shops... and institutional (local power, parties,... dimensions of localities, it is possible to define some pertinent structural properties of systems of private interpersonal relations : one is the degree of local closure (Barnes : local vs transversal networks, or the "duality" of these systems. Grounded on the idea that the efficiency of "bridges" rest upon the kind of cliques they connect (Lin, it is possible to define various types of micro-structures, the distributions of which in different localities are proxy indicators of the different meso structures of relational systems as combinations of "local" and "unlocal" networks.

  2. Eggspot number and sexual selection in the cichlid fish Astatotilapia burtoni.

    Directory of Open Access Journals (Sweden)

    Frederico Henning

    Full Text Available Sexual selection on male coloration is one of the main mechanisms proposed to explain the explosive speciation rates in East African cichlid fish. True eggspots are color patterns characteristic of the most species-rich lineage of cichlids, the Haplochromini, and have been suggested to be causally related to the speciation processes. Eggspots are thought to have originated by sensory exploitation and subsequently gained several roles in sexual advertisement. However, for most of these functions the evidence is equivocal. In addition, the genetic architecture of this trait still is largely unknown. We conducted bidirectional selective breeding experiments for eggspot numbers in the model cichlid, Astatotilapia burtoni. After two generations, low lines responded significantly, whereas the high lines did not. Body size was both phenotypically and genotypically correlated with eggspot number and showed correlated response to selection. Males with higher numbers of eggspots were found to sire larger offspring. Despite the potential to act as honest indicators of fitness, the behavioral experiments showed no evidence of a role in either intra- or inter-sexual selection. Visual-based female preference was instead explained by courtship intensity. The evolution of this trait has been interpreted in light of adaptive theories of sexual selection, however the present and published results suggest the influence of non-adaptive factors such as sensory exploitation, environmental constraints and sexual antagonism.

  3. Local structure of polymeric ferrogels

    Energy Technology Data Exchange (ETDEWEB)

    Galicia, J.A. [Fac. de Ing.Quimica, Benemerita Univ. Autonoma de Puebla, Edif 1471102 Ciudad Universitaria, 18 sur y San Claudio, Puebla, Pue (Mexico); Cousin, F. [Lab. Leon Brillouin, UMR 12 CNRS-CEA, CEA-Saclay, 91191 Gif-sur-Yvette (France); Dubois, E.; Sandre, O.; Cabuil, V. [UPMC Univ. Paris 6, Laboratoire PECSA (UMR 7195 UPMC-CNRS-ESPCI), Case 51 4 Place Jussieu, F-75005 Paris (France); Perzynski, R., E-mail: regine.perzynski@upmc.f [UPMC Univ. Paris 6, Laboratoire PECSA (UMR 7195 UPMC-CNRS-ESPCI), Case 51 4 Place Jussieu, F-75005 Paris (France)

    2011-05-15

    We synthesize hybrid gels incorporating {gamma}-Fe{sub 2}O{sub 3} nanoparticles (NPs), citrate coated, in a polyacrylamide (PAM) network. The local organisation and the rotational degrees of magnetic nanoparticles are probed in the conditions of gel synthesis and also at swelling equilibrium, to correlate the homogeneous/inhomogeneous structure of the ferrogels to the synthesis parameters and to their macroscopic elasticity. NP adsorption on the PAM network at low citrate concentration is responsible for the reinforcing of the polymer structure. At higher citrate concentration, due to a competition between citrate and NPs, the nanoparticles desorb from the polymer structure weakening the system. - Research Highlights: Hybrid ferrogels are formed with citrate coated {gamma}-Fe{sub 2}O{sub 3} NPs added to PAM networks. We probe both local organisation and rotational degrees of NPs in the ferrogels. Structural homogeneity is correlated with synthesis parameters and elasticity. At low [cit] {sub free}, NP adsorption on PAM network reinforces the polymer structure. At higher [cit] {sub free}, NPs desorb from polymer structure weakening the system.

  4. Localized structure of Euglena bioconvection

    Science.gov (United States)

    Iima, Makoto; Shoji, Erika; Awazu, Akinori; Nishimori, Hiraku; Izumi, Shunsuke; Hiroshima University Collaboration

    2013-11-01

    Bioconvection of a suspension of Euglena gracilis, a photosensitive flagellate whose body length is approximately 50 micrometers, was experimentally studied. Under strong light intensity, Euglena has a negative phototaxis; they tend to go away from the light source. When the bright illumination is given from the bottom, a large scale spatio-temporal pattern is generated as a result of interaction between Euglena and surrounding flow. Recently, localized convection pattern had been reported, however, the generation process and interaction of the localized convection cells has not been analyzed. We performed experimental study to understand the localization mechanism, in particular, the onset of bioconvection and lateral localization behavior due to phototaxis. Experiments started from different initial condition suggests a bistability near the onset of the convection as binary fluid convection that also shows localized convection cells. Dynamics of localized convections cells, which is similar to the binary fluid convection case although the basic equations are not the same, is also reported.

  5. Combinatorics of locally optimal RNA secondary structures.

    Science.gov (United States)

    Fusy, Eric; Clote, Peter

    2014-01-01

    It is a classical result of Stein and Waterman that the asymptotic number of RNA secondary structures is 1.104366∙n-3/2∙2.618034n. Motivated by the kinetics of RNA secondary structure formation, we are interested in determining the asymptotic number of secondary structures that are locally optimal, with respect to a particular energy model. In the Nussinov energy model, where each base pair contributes -1 towards the energy of the structure, locally optimal structures are exactly the saturated structures, for which we have previously shown that asymptotically, there are 1.07427∙n-3/2∙2.35467n many saturated structures for a sequence of length n. In this paper, we consider the base stacking energy model, a mild variant of the Nussinov model, where each stacked base pair contributes -1 toward the energy of the structure. Locally optimal structures with respect to the base stacking energy model are exactly those secondary structures, whose stems cannot be extended. Such structures were first considered by Evers and Giegerich, who described a dynamic programming algorithm to enumerate all locally optimal structures. In this paper, we apply methods from enumerative combinatorics to compute the asymptotic number of such structures. Additionally, we consider analogous combinatorial problems for secondary structures with annotated single-stranded, stacking nucleotides (dangles).

  6. Enhancing community detection by local structural information

    CERN Document Server

    Xiang, Ju; Zhang, Yan; Bao, Mei-Hua; Tang, Liang; Tang, Yan-Ni; Gao, Yuan-Yuan; Li, Jian-Ming; Chen, Benyan; Hu, Jing-Bo

    2016-01-01

    Many real-world networks such as the gene networks, protein-protein interaction networks and metabolic networks exhibit community structures, meaning the existence of groups of densely connected vertices in the networks. Many local similarity measures in the networks are closely related to the concept of the community structures, and may have positive effect on community detection in the networks. Here, various local similarity measures are used to extract the local structural information and then are applied to community detection in the networks by using the edge-reweighting strategy. The effect of the local similarity measures on community detection is carefully investigated and compared in various networks. The experimental results show that the local similarity measures are crucial to the improvement for the community detection methods, while the positive effect of the local similarity measures is closely related to the networks under study and the applied community detection methods.

  7. Superluminal localized structures of electromagnetic radiation

    Energy Technology Data Exchange (ETDEWEB)

    Rozanov, Nikolai N [Research Institute for Laser Physics, St. Petersburg (Russian Federation)

    2005-02-28

    This paper analyzes localized invariable-form structures of electromagnetic radiation in vacuum and soliton-like light structures traveling superluminally in a nonlinear medium. Both types of structures are concluded to be unstable to small perturbations. (annus mirabilis. methodological notes)

  8. Towards understanding the local structure of liquids

    Science.gov (United States)

    Patashinski, Alexander Z.; Mitus, Antoni C.; Ratner, Mark A.

    1997-09-01

    In this article we discuss the problem of well-defined crystalline patterns of local atomic arrangements in equilibrium liquids, and their statistical mechanics modelling. We present arguments in favor of the existence of local crystalline structures in liquids (local crystal order hypothesis) and discuss a generalized energy landscape picture in the theory of the liquid state. This picture allows a quantification of the hypothesis of local order and offers basic concepts for the statistical mechanics modelling of the melting phase transition. We review recent results of probabilistic-based searches for local structures in various two- and three-dimensional computer-simulated liquids. Next, some statistical-mechanics models of melting and amorphization in terms of structural states of small clusters are proposed. The models, which have only two characteristic energies, that of the orientationally disordered locally crystalline state, and that of completely amorphous state, are studied in a mean-probability approximation. If the amorphization energy is high, the material retains local crystallinity even in the melt; at higher temperatures a crossover to the locally amorphous state occurs. A material that has a low energy non-crystalline local packing exhibits an amorphization melting; the phase transition is from orientationally ordered crystal state to a locally amorphous melt.

  9. Detecting structure of haplotypes and local ancestry

    Science.gov (United States)

    We present a two-layer hidden Markov model to detect the structure of haplotypes for unrelated individuals. This allows us to model two scales of linkage disequilibrium (one within a group of haplotypes and one between groups), thereby taking advantage of rich haplotype information to infer local an...

  10. The African cichlid fish Astatotilapia burtoni uses acoustic communication for reproduction: sound production, hearing, and behavioral significance.

    Directory of Open Access Journals (Sweden)

    Karen P Maruska

    Full Text Available Sexual reproduction in all animals depends on effective communication between signalers and receivers. Many fish species, especially the African cichlids, are well known for their bright coloration and the importance of visual signaling during courtship and mate choice, but little is known about what role acoustic communication plays during mating and how it contributes to sexual selection in this phenotypically diverse group of vertebrates. Here we examined acoustic communication during reproduction in the social cichlid fish, Astatotilapia burtoni. We characterized the sounds and associated behaviors produced by dominant males during courtship, tested for differences in hearing ability associated with female reproductive state and male social status, and then tested the hypothesis that female mate preference is influenced by male sound production. We show that dominant males produce intentional courtship sounds in close proximity to females, and that sounds are spectrally similar to their hearing abilities. Females were 2-5-fold more sensitive to low frequency sounds in the spectral range of male courtship sounds when they were sexually-receptive compared to during the mouthbrooding parental phase. Hearing thresholds were also negatively correlated with circulating sex-steroid levels in females but positively correlated in males, suggesting a potential role for steroids in reproductive-state auditory plasticity. Behavioral experiments showed that receptive females preferred to affiliate with males that were associated with playback of courtship sounds compared to noise controls, indicating that acoustic information is likely important for female mate choice. These data show for the first time in a Tanganyikan cichlid that acoustic communication is important during reproduction as part of a multimodal signaling repertoire, and that perception of auditory information changes depending on the animal's internal physiological state. Our results

  11. Local density maxima: Progenitors of structure

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, Y.; Shaham, J.

    1985-10-01

    Assuming structure is formed hierarchically from small to large scales, local density extrema are assumed to be the progenitors of structure. The density contrast profile around local maxima is given, to a good approximation, by the primordial two-point correlation function. The mean number density of objects of a given core mass is calculated as a function of the primordial power spectrum, p(k). Assuming p(k)proportionalk/sup n/, virialized halos in an 0 = 1.0 universe should follow pproportionalr/sup(-9 + 3n/)/(4 + n) for -1< or =n and pproportionalr S for -3< or =n< or =-1. In an open universe, rich clusters should have halos steeper than galactic halos. The observed structure is found to be consistent with 0 < 1.0 and n = -1.

  12. Shaped input distributions for structural damage localization

    DEFF Research Database (Denmark)

    Ulriksen, Martin Dalgaard; Bernal, Dionisio; Damkilde, Lars

    2017-01-01

    localization method is cast, which operates on the premise of shaping inputs—whose spatial distribution is fixed—by use of a theoretical model such that these inputs, in one structural subdomain at the time, suppress certain steady-state vibration quantities (depending on the type of damage one seeks...... to interrogate for). Accordingly, damage is localized when the vibration signature induced by the shaped inputs in the damaged state corresponds to that in the reference state, hereby implying that the approach does not point directly to damage. Instead, it operates with interrogation based on postulated damage...... of two numerical examples, of which the first involves a chain-like system that is included to demonstrate some of the basic principles of the approach. The second example treats a truss structure model, which, besides the inputs to be shaped, is subjected to ambient excitation while the output...

  13. Finding local community structure in networks

    Science.gov (United States)

    Clauset, Aaron

    2005-08-01

    Although the inference of global community structure in networks has recently become a topic of great interest in the physics community, all such algorithms require that the graph be completely known. Here, we define both a measure of local community structure and an algorithm that infers the hierarchy of communities that enclose a given vertex by exploring the graph one vertex at a time. This algorithm runs in time O(k2d) for general graphs when d is the mean degree and k is the number of vertices to be explored. For graphs where exploring a new vertex is time consuming, the running time is linear, O(k) . We show that on computer-generated graphs the average behavior of this technique approximates that of algorithms that require global knowledge. As an application, we use this algorithm to extract meaningful local clustering information in the large recommender network of an online retailer.

  14. Discovery of a novel retrovirus sequence in an Australian native rodent (Melomys burtoni: a putative link between gibbon ape leukemia virus and koala retrovirus.

    Directory of Open Access Journals (Sweden)

    Greg Simmons

    Full Text Available Gibbon ape leukaemia virus (GALV and koala retrovirus (KoRV share a remarkably close sequence identity despite the fact that they occur in distantly related mammals on different continents. It has previously been suggested that infection of their respective hosts may have occurred as a result of a species jump from another, as yet unidentified vertebrate host. To investigate possible sources of these retroviruses in the Australian context, DNA samples were obtained from 42 vertebrate species and screened using PCR in order to detect proviral sequences closely related to KoRV and GALV. Four proviral partial sequences totalling 2880 bases which share a strong similarity with KoRV and GALV were detected in DNA from a native Australian rodent, the grassland melomys, Melomys burtoni. We have designated this novel gammaretrovirus Melomys burtoni retrovirus (MbRV. The concatenated nucleotide sequence of MbRV shares 93% identity with the corresponding sequence from GALV-SEATO and 83% identity with KoRV. The geographic ranges of the grassland melomys and of the koala partially overlap. Thus a species jump by MbRV from melomys to koalas is conceivable. However the genus Melomys does not occur in mainland South East Asia and so it appears most likely that another as yet unidentified host was the source of GALV.

  15. Discovery of a novel retrovirus sequence in an Australian native rodent (Melomys burtoni): a putative link between gibbon ape leukemia virus and koala retrovirus.

    Science.gov (United States)

    Simmons, Greg; Clarke, Daniel; McKee, Jeff; Young, Paul; Meers, Joanne

    2014-01-01

    Gibbon ape leukaemia virus (GALV) and koala retrovirus (KoRV) share a remarkably close sequence identity despite the fact that they occur in distantly related mammals on different continents. It has previously been suggested that infection of their respective hosts may have occurred as a result of a species jump from another, as yet unidentified vertebrate host. To investigate possible sources of these retroviruses in the Australian context, DNA samples were obtained from 42 vertebrate species and screened using PCR in order to detect proviral sequences closely related to KoRV and GALV. Four proviral partial sequences totalling 2880 bases which share a strong similarity with KoRV and GALV were detected in DNA from a native Australian rodent, the grassland melomys, Melomys burtoni. We have designated this novel gammaretrovirus Melomys burtoni retrovirus (MbRV). The concatenated nucleotide sequence of MbRV shares 93% identity with the corresponding sequence from GALV-SEATO and 83% identity with KoRV. The geographic ranges of the grassland melomys and of the koala partially overlap. Thus a species jump by MbRV from melomys to koalas is conceivable. However the genus Melomys does not occur in mainland South East Asia and so it appears most likely that another as yet unidentified host was the source of GALV.

  16. Automatic Tool for Local Assembly Structures

    Energy Technology Data Exchange (ETDEWEB)

    2016-10-11

    Whole community shotgun sequencing of total DNA (i.e. metagenomics) and total RNA (i.e. metatranscriptomics) has provided a wealth of information in the microbial community structure, predicted functions, metabolic networks, and is even able to reconstruct complete genomes directly. Here we present ATLAS (Automatic Tool for Local Assembly Structures) a comprehensive pipeline for assembly, annotation, genomic binning of metagenomic and metatranscriptomic data with an integrated framework for Multi-Omics. This will provide an open source tool for the Multi-Omic community at large.

  17. Indoor footstep localization from structural dynamics instrumentation

    Science.gov (United States)

    Poston, Jeffrey D.; Buehrer, R. Michael; Tarazaga, Pablo A.

    2017-05-01

    Measurements from accelerometers originally deployed to measure a building's structural dynamics can serve a new role: locating individuals moving within a building. Specifically, this paper proposes measurements of footstep-generated vibrations as a novel source of information for localization. The complexity of wave propagation in a building (e.g., dispersion and reflection) limits the utility of existing algorithms designed to locate, for example, the source of sound in a room or radio waves in free space. This paper develops enhancements for arrival time determination and time difference of arrival localization in order to address the complexities posed by wave propagation within a building's structure. Experiments with actual measurements from an instrumented public building demonstrate the potential of locating footsteps to sub-meter accuracy. Furthermore, this paper explains how to forecast performance in other buildings with different sensor configurations. This localization capability holds the potential to assist public safety agencies in building evacuation and incidence response, to facilitate occupancy-based optimization of heating or cooling and to inform facility security.

  18. The Structure of the Local Hot Bubble

    Science.gov (United States)

    Liu, W.; Chiao, M.; Collier, M. R.; Cravens, T.; Galeazzi, M.; Koutroumpa, D.; Kuntz, K. D.; Lallement, R.; Lepri, S. T.; McCammon, Dan; hide

    2016-01-01

    Diffuse X-rays from the Local Galaxy (DXL) is a sounding rocket mission designed to quantify and characterize the contribution of Solar Wind Charge eXchange (SWCX) to the Diffuse X-ray Background and study the properties of the Local Hot Bubble (LHB). Based on the results from the DXL mission, we quantified and removed the contribution of SWCX to the diffuse X-ray background measured by the ROSAT All Sky Survey. The cleaned maps were used to investigate the physical properties of the LHB. Assuming thermal ionization equilibrium, we measured a highly uniform temperature distributed around kT = 0.097 keV +/- 0.013 keV (FWHM) +/- 0.006 keV(systematic). We also generated a thermal emission measure map and used it to characterize the three-dimensional (3D) structure of the LHB, which we found to be in good agreement with the structure of the local cavity measured from dust and gas.

  19. Guanine quadruplex structures localize to heterochromatin.

    Science.gov (United States)

    Hoffmann, Roland F; Moshkin, Yuri M; Mouton, Stijn; Grzeschik, Nicola A; Kalicharan, Ruby D; Kuipers, Jeroen; Wolters, Anouk H G; Nishida, Kazuki; Romashchenko, Aleksander V; Postberg, Jan; Lipps, Hans; Berezikov, Eugene; Sibon, Ody C M; Giepmans, Ben N G; Lansdorp, Peter M

    2016-01-08

    Increasing amounts of data support a role for guanine quadruplex (G4) DNA and RNA structures in various cellular processes. We stained different organisms with monoclonal antibody 1H6 specific for G4 DNA. Strikingly, immuno-electron microscopy showed exquisite specificity for heterochromatin. Polytene chromosomes from Drosophila salivary glands showed bands that co-localized with heterochromatin proteins HP1 and the SNF2 domain-containing protein SUUR. Staining was retained in SUUR knock-out mutants but lost upon overexpression of SUUR. Somatic cells in Macrostomum lignano were strongly labeled, but pluripotent stem cells labeled weakly. Similarly, germline stem cells in Drosophila ovaries were weakly labeled compared to most other cells. The unexpected presence of G4 structures in heterochromatin and the difference in G4 staining between somatic cells and stem cells with germline DNA in ciliates, flatworms, flies and mammals point to a conserved role for G4 structures in nuclear organization and cellular differentiation. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  20. Geometrical optimization for strictly localized structures

    Science.gov (United States)

    Mo, Yirong

    2003-07-01

    Recently we proposed the block localized wavefunction (BLW) approach which takes the advantages of valence bond theory and molecular orbital theory and defines the wavefunctions for resonance structures based on the assumption that all electrons and orbitals are partitioned into a few subgroups. In this work, we implement the geometrical optimization of the BLW method based on the algorithm proposed by Gianinetti and coworkers. Thus, we can study the conjugation effect on not only the molecular stability, but also the molecular geometry. With this capability, the π conjugation effect in trans-polyenes C2nH2n+2 (n=2-5) as well as in formamide and its analogs are studied by optimizing their delocalized and strictly localized forms with the 6-31G(d) and 6-311+G(d,p) basis sets. Although it has been well presumed that the π resonance shortens the single bonds and lengthens the double bonds with the delocalization of π electrons across the whole line in polyenes, our optimization of the strictly localized structures quantitatively shows that when the conjugation effect is "turned off," the double bond lengths will be identical to the CC bond length in ethylene and the single Csp2-Csp2 bond length will be about 1.513-1.517 Å. In agreement with the classical Hückel theory, the resonance energies in polyenes are approximately in proportion to the number of double bonds. Similarly, resonance is responsible not only for the planarity of formamide, thioformamide, and selenoformamide, but also for the lengthening of the CX (X=O,S,Se) double bond and the shortening of the CN bonds. Although it is assumed that the CX bond polarization decreases in the order of O>S>Se, the π electronic delocalization increases in the opposite order, i.e., formamide

  1. Importance of Local Structural Variations on Recrystallization

    DEFF Research Database (Denmark)

    Juul Jensen, Dorte; Lin, Fengxiang; Zhang, Yubin

    2013-01-01

    Effects of local variations in the deformation microstructure on subsequent recrystallization are discussed and illustrated by three examples. The three examples consider local variations on different length scales and are: 1. Effects of local variations in the deformation microstructure on the f......Effects of local variations in the deformation microstructure on subsequent recrystallization are discussed and illustrated by three examples. The three examples consider local variations on different length scales and are: 1. Effects of local variations in the deformation microstructure...... on the formation of protrusions on migrating boundaries. 2. Effects of an inhomogeneous spatial distribution of second phase particles on growth. 3. Effects of stored energy and orientation variations on recrystallization kinetics. © (2013) Trans Tech Publications, Switzerland....

  2. Local Structure Analysis in $Ab$ $Initio$ Liquid Water

    OpenAIRE

    Santra, Biswajit; DiStasio Jr., Robert A.; Martelli, Fausto; Car, Roberto

    2015-01-01

    Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively agrees with experiment. In this work, we have used the local structure index (LSI) order parameter to analyze the local structure in such highly accurate $ab$ $initio$ liquid water. At ambient conditions, the LSI probability distribution, P($I$), was unimodal wi...

  3. Experimental observation of localized structures in medium size VCSELs.

    Science.gov (United States)

    Averlant, Etienne; Tlidi, Mustapha; Thienpont, Hugo; Ackemann, Thorsten; Panajotov, Krassimir

    2014-01-13

    We report experimental evidence of spontaneous formation of localized structures in a 80 μm diameter Vertical-Cavity Surface-Emitting Laser (VCSEL) biased above the lasing threshold and under optical injection. Such localized structures are bistable with the injected beam power and the VCSEL current. We experimentally investigate the formation of localized structures for different detunings between the injected beam and the VCSEL, and different injection beam waists.

  4. Towards structural controllability of local-world networks

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shiwen, E-mail: sunsw80@126.com [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China); Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China)

    2016-05-20

    Controlling complex networks is of vital importance in science and engineering. Meanwhile, local-world effect is an important ingredient which should be taken into consideration in the complete description of real-world complex systems. In this letter, structural controllability of a class of local-world networks is investigated. Through extensive numerical simulations, firstly, effects of local world size M and network size N on structural controllability are examined. For local-world networks with sparse topological configuration, compared to network size, local-world size can induce stronger influence on controllability, however, for dense networks, controllability is greatly affected by network size and local-world effect can be neglected. Secondly, relationships between controllability and topological properties are analyzed. Lastly, the robustness of local-world networks under targeted attacks regarding structural controllability is discussed. These results can help to deepen the understanding of structural complexity and connectivity patterns of complex systems. - Highlights: • Structural controllability of a class of local-world networks is investigated. • For sparse local-world networks, compared to network size, local-world size can bring stronger influence on controllability. • For dense networks, controllability is greatly affected by network size and the effect of local-world size can be neglected. • Structural controllability against targeted node attacks is discussed.

  5. Community detection using global and local structural information

    Indian Academy of Sciences (India)

    Community detection is of considerable importance for understanding both the structure and function of complex networks. In this paper, we introduced the general procedure of the community detection algorithms using global and local structural information, where the edge betweenness and the local similarity measures ...

  6. Comment: Towards a Viable Local Government Structure in Nigeria ...

    African Journals Online (AJOL)

    Local governments are principally established for development at the grassroots and they must be structured in a manner that makes them viable and capable of achieving this purpose. The objective of this comment is to appraise the current local government structure under the Nigerian constitutional framework with a view ...

  7. Sampling Realistic Protein Conformations Using Local Structural Bias

    DEFF Research Database (Denmark)

    Hamelryck, Thomas Wim; Kent, John T.; Krogh, A.

    2006-01-01

    The prediction of protein structure from sequence remains a major unsolved problem in biology. The most successful protein structure prediction methods make use of a divide-and-conquer strategy to attack the problem: a conformational sampling method generates plausible candidate structures, which...... are subsequently accepted or rejected using an energy function. Conceptually, this often corresponds to separating local structural bias from the long-range interactions that stabilize the compact, native state. However, sampling protein conformations that are compatible with the local structural bias encoded...... for protein structure prediction, determination, simulation, and design....

  8. Guanine quadruplex structures localize to heterochromatin

    NARCIS (Netherlands)

    R.F. Hoffmann; Y.M. Moshkin (Yuri); Mouton, S. (Stijn); Grzeschik, N.A. (Nicola A.); R.D. Kalicharan (Ruby); J. Kuipers (Jeroen); Wolters, A.H.G. (Anouk H.G.); Nishida, K. (Kazuki); A.V. Romashchenko; Postberg, J. (Jan); Lipps, H. (Hans); E. Berezikov (Eugene); O.C.M. Sibon (Ody); B.N.G. Giepmans (Ben); Lansdorp, P.M. (Peter M.)

    2016-01-01

    textabstractIncreasing amounts of data support a role for guanine quadruplex (G4) DNA and RNA structures in various cellular processes. We stained different organisms with monoclonal antibody 1H6 specific for G4 DNA. Strikingly, immuno-electron microscopy showed exquisite specificity for

  9. Guanine quadruplex structures localize to heterochromatin

    NARCIS (Netherlands)

    Hoffmann, Roland F.; Moshkin, Yuri M.; Mouton, Stijn; Grzeschik, Nicola A.; Kalicharan, Ruby D.; Kuipers, Jeroen; Wolters, Anouk H. G.; Nishida, Kazuki; Romashchenko, Aleksander V.; Postberg, Jan; Lipps, Hans; Berezikov, Eugene; Sibon, Ody C. M.; Giepmans, Ben N. G.; Lansdorp, Peter M.

    2016-01-01

    Increasing amounts of data support a role for guanine quadruplex (G4) DNA and RNA structures in various cellular processes. We stained different organisms with monoclonal antibody 1H6 specific for G4 DNA. Strikingly, immuno-electron microscopy showed exquisite specificity for heterochromatin.

  10. Mapping the local structure of nanowires

    DEFF Research Database (Denmark)

    Persson, Johan Mikael; Wagner, Jakob Birkedal

    2013-01-01

    The crystallographic and compositional structure of heterostructured semiconductor nanowires has been studied by means of transmission electron microscopy. The native geometry of the studied InP-GaAs nanowires (80-100 nm in diameter) is in general too thick for reliable high-resolution TEM imaging...

  11. Structural change in a local urban housing market

    OpenAIRE

    Colin Jones; Chris Leishman; Craig Watkins

    2003-01-01

    This paper addresses the structural change in a local urban housing market within a submarket framework. There is a voluminous literature examining the economic structure and operation of urban housing submarkets, with much of the associated empirical work based on static cross-sectional studies. Analysis of the temporal dynamics of local markets has tended to be perfunctory. As such, our understanding of structural change over time remains underdeveloped. In this paper we construct repeat-sa...

  12. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  13. Structural Health Monitoring Based on Combined Structural Global and Local Frequencies

    Directory of Open Access Journals (Sweden)

    Jilin Hou

    2014-01-01

    Full Text Available This paper presents a parameter estimation method for Structural Health Monitoring based on the combined measured structural global frequencies and structural local frequencies. First, the global test is experimented to obtain the low order modes which can reflect the global information of the structure. Secondly, the mass is added on the member of structure to increase the local dynamic characteristic and to make the member have local primary frequency, which belongs to structural local frequency and is sensitive to local parameters. Then the parameters of the structure can be optimized accurately using the combined structural global frequencies and structural local frequencies. The effectiveness and accuracy of the proposed method are verified by the experiment of a space truss.

  14. Identifying local structural states in atomic imaging by computer vision.

    Science.gov (United States)

    Laanait, Nouamane; Ziatdinov, Maxim; He, Qian; Borisevich, Albina

    2017-01-01

    The availability of atomically resolved imaging modalities enables an unprecedented view into the local structural states of materials, which manifest themselves by deviations from the fundamental assumptions of periodicity and symmetry. Consequently, approaches that aim to extract these local structural states from atomic imaging data with minimal assumptions regarding the average crystallographic configuration of a material are indispensable to advances in structural and chemical investigations of materials. Here, we present an approach to identify and classify local structural states that is rooted in computer vision. This approach introduces a definition of a structural state that is composed of both local and nonlocal information extracted from atomically resolved images, and is wholly untethered from the familiar concepts of symmetry and periodicity. Instead, this approach relies on computer vision techniques such as feature detection, and concepts such as scale invariance. We present the fundamental aspects of local structural state extraction and classification by application to simulated scanning transmission electron microscopy images, and analyze the robustness of this approach in the presence of common instrumental factors such as noise, limited spatial resolution, and weak contrast. Finally, we apply this computer vision-based approach for the unsupervised detection and classification of local structural states in an experimental electron micrograph of a complex oxides interface, and a scanning tunneling micrograph of a defect-engineered multilayer graphene surface.

  15. Mapping chemical performance on molecular structures using locally interpretable explanations

    CERN Document Server

    Whitmore, Leanne S; Hudson, Corey M

    2016-01-01

    In this work, we present an application of Locally Interpretable Machine-Agnostic Explanations to 2-D chemical structures. Using this framework we are able to provide a structural interpretation for an existing black-box model for classifying biologically produced fuel compounds with regard to Research Octane Number. This method of "painting" locally interpretable explanations onto 2-D chemical structures replicates the chemical intuition of synthetic chemists, allowing researchers in the field to directly accept, reject, inform and evaluate decisions underlying inscrutably complex quantitative structure-activity relationship models.

  16. A generative, probabilistic model of local protein structure

    DEFF Research Database (Denmark)

    Boomsma, Wouter; Mardia, Kanti V.; Taylor, Charles C.

    2008-01-01

    Despite significant progress in recent years, protein structure prediction maintains its status as one of the prime unsolved problems in computational biology. One of the key remaining challenges is an efficient probabilistic exploration of the structural space that correctly reflects the relative...... conformational stabilities. Here, we present a fully probabilistic, continuous model of local protein structure in atomic detail. The generative model makes efficient conformational sampling possible and provides a framework for the rigorous analysis of local sequence-structure correlations in the native state...

  17. Localized Structures Embedded in the Eigenfunctions of Chaotic Hamiltonian Systems

    CERN Document Server

    Vergini, E G

    1998-01-01

    We study quantum localization phenomena in chaotic systems with a parameter. The parametric motion of energy levels proceeds without crossing any other and the defined avoided crossings quantify the interaction between states. We propose the elimination of avoided crossings as the natural mechanism to uncover localized structures. We describe an efficient method for the elimination of avoided crossings in chaotic billiards and apply it to the stadium billiard. We find many scars of short periodic orbits revealing the skeleton on which quantum mechanics is built. Moreover, we have observed strong interaction between similar localized structures.

  18. Local structure preserving sparse coding for infrared target recognition

    Science.gov (United States)

    Han, Jing; Yue, Jiang; Zhang, Yi; Bai, Lianfa

    2017-01-01

    Sparse coding performs well in image classification. However, robust target recognition requires a lot of comprehensive template images and the sparse learning process is complex. We incorporate sparsity into a template matching concept to construct a local sparse structure matching (LSSM) model for general infrared target recognition. A local structure preserving sparse coding (LSPSc) formulation is proposed to simultaneously preserve the local sparse and structural information of objects. By adding a spatial local structure constraint into the classical sparse coding algorithm, LSPSc can improve the stability of sparse representation for targets and inhibit background interference in infrared images. Furthermore, a kernel LSPSc (K-LSPSc) formulation is proposed, which extends LSPSc to the kernel space to weaken the influence of the linear structure constraint in nonlinear natural data. Because of the anti-interference and fault-tolerant capabilities, both LSPSc- and K-LSPSc-based LSSM can implement target identification based on a simple template set, which just needs several images containing enough local sparse structures to learn a sufficient sparse structure dictionary of a target class. Specifically, this LSSM approach has stable performance in the target detection with scene, shape and occlusions variations. High performance is demonstrated on several datasets, indicating robust infrared target recognition in diverse environments and imaging conditions. PMID:28323824

  19. Local factors determine plant community structure on closely neighbored islands.

    Directory of Open Access Journals (Sweden)

    Jianbo Lu

    Full Text Available Despite the recent popularity of the metacommunity concept, ecologists have not evaluated the applicability of different metacommunity frameworks to insular organisms. We surveyed 50 closely spaced islands in the Thousand-Island Lake of China to examine the role of local (environmental and regional (dispersal factors in structuring woody plant assemblages (tree and shrub species on these islands. By partitioning the variation in plant community structure into local and regional causes, we showed that local environmental conditions, specifically island morphometric characteristics, accounted for the majority of the variation in plant community structure among the studied islands. Spatial variables, representing the potential importance of species dispersal, explained little variation. We conclude that one metacommunity framework-species sorting-best characterizes these plant communities. This result reinforces the idea that the traditional approach of emphasizing the local perspective when studying ecological communities continues to hold its value.

  20. Local factors determine plant community structure on closely neighbored islands.

    Science.gov (United States)

    Lu, Jianbo; Jiang, Lin; Yu, Lin; Sun, Que

    2011-05-10

    Despite the recent popularity of the metacommunity concept, ecologists have not evaluated the applicability of different metacommunity frameworks to insular organisms. We surveyed 50 closely spaced islands in the Thousand-Island Lake of China to examine the role of local (environmental) and regional (dispersal) factors in structuring woody plant assemblages (tree and shrub species) on these islands. By partitioning the variation in plant community structure into local and regional causes, we showed that local environmental conditions, specifically island morphometric characteristics, accounted for the majority of the variation in plant community structure among the studied islands. Spatial variables, representing the potential importance of species dispersal, explained little variation. We conclude that one metacommunity framework-species sorting-best characterizes these plant communities. This result reinforces the idea that the traditional approach of emphasizing the local perspective when studying ecological communities continues to hold its value.

  1. Measurement of local relative displacements in large structures

    DEFF Research Database (Denmark)

    Tesauro, Angelo; Eder, Martin Alexander; Nielsen, Magda

    2014-01-01

    This paper presents a novel measurement technique to measure local relative displacements between parts of large-scale structures. The measured deformations can be of significant importance for fracture analyses in many different types of structures in general, and for adhesive connections...... in particular. The measurement of small local relative displacements in structures subjected to large global deformations is complex and hardly feasible with conventional measurement methods. Therefore, a Small Displacement Measurement System (SDMS) has been devised. The SDMS is based on stereo photogrammetry...... and capable of measuring 3D local displacements with a high degree of accuracy. In this article, the technique is used to measure local deformations in the vicinity of the adhesive trailing edge joint of a wind turbine rotor blade. The SDMS results correspond well with another independent measurement method....

  2. DELORES - A System for Detection and Localization of Structural Damages

    DEFF Research Database (Denmark)

    Johansen, Rasmus Johan; Ulriksen, Martin Dalgaard; Damkilde, Lars

    2016-01-01

    that monitors the structures remotely without human involvement. DELORES (DEtection and LOcalization of RESponse anomalies) is a first version of a system, which utilizes vibration recordings from the healthy and current states of a structure to declare its current health. DELORES employs extended versions...

  3. Deriving quantum theory from its local structure and reversibility.

    Science.gov (United States)

    de la Torre, Gonzalo; Masanes, Lluís; Short, Anthony J; Müller, Markus P

    2012-08-31

    We investigate the class of physical theories with the same local structure as quantum theory but potentially different global structure. It has previously been shown that any bipartite correlations generated by such a theory can be simulated in quantum theory but that this does not hold for tripartite correlations. Here we explore whether imposing an additional constraint on this space of theories-that of dynamical reversibility-will allow us to recover the global quantum structure. In the particular case in which the local systems are identical qubits, we show that any theory admitting at least one continuous reversible interaction must be identical to quantum theory.

  4. Structure of local interactions in complex financial dynamics

    Science.gov (United States)

    Jiang, X. F.; Chen, T. T.; Zheng, B.

    2014-06-01

    With the network methods and random matrix theory, we investigate the interaction structure of communities in financial markets. In particular, based on the random matrix decomposition, we clarify that the local interactions between the business sectors (subsectors) are mainly contained in the sector mode. In the sector mode, the average correlation inside the sectors is positive, while that between the sectors is negative. Further, we explore the time evolution of the interaction structure of the business sectors, and observe that the local interaction structure changes dramatically during a financial bubble or crisis.

  5. Local thermal energy as a structural indicator in glasses

    Science.gov (United States)

    Zylberg, Jacques; Lerner, Edan; Bar-Sinai, Yohai; Bouchbinder, Eran

    2017-07-01

    Identifying heterogeneous structures in glasses—such as localized soft spots—and understanding structure-dynamics relations in these systems remain major scientific challenges. Here, we derive an exact expression for the local thermal energy of interacting particles (the mean local potential energy change caused by thermal fluctuations) in glassy systems by a systematic low-temperature expansion. We show that the local thermal energy can attain anomalously large values, inversely related to the degree of softness of localized structures in a glass, determined by a coupling between internal stresses—an intrinsic signature of glassy frustration—anharmonicity and low-frequency vibrational modes. These anomalously large values follow a fat-tailed distribution, with a universal exponent related to the recently observed universal ω4ω4 density of states of quasilocalized low-frequency vibrational modes. When the spatial thermal energy field—a “softness field”—is considered, this power law tail manifests itself by highly localized spots, which are significantly softer than their surroundings. These soft spots are shown to be susceptible to plastic rearrangements under external driving forces, having predictive powers that surpass those of the normal modes-based approach. These results offer a general, system/model-independent, physical/observable-based approach to identify structural properties of quiescent glasses and relate them to glassy dynamics.

  6. The Local Physical Structure of Amorphous Boron Carbide Thin Films

    Science.gov (United States)

    Paquette, M. M.; Li, Wenjing; Driver, M. S.; Oyler, N. A.; Caruso, A. N.

    2011-03-01

    Thin-film amorphous hydrogenated boron carbide (a-B5 C:Hx) and technical boron carbide (B4 C:Cy) are important materials in next-generation solid-state neutron detectors and refractory electronics. Optimizing the electrical carrier transport and electronic structure of these films for the stated applications has been severely hindered by: (1) their lack of long-range periodicity; (2) the ability of boron-rich solids to form complex polyhedra; and, (3) the possibility that carbon atoms incorporate into the polyhedral structures in an intraicosahedral fashion or that they bridge polyhedral structures in an intericosahedral fashion. The use of traditional spectroscopies that are sensitive to local coordination environment have been inadequate in the determination of the local physical structure because of either poor resolution or very low interaction cross sections. However, magic spinning angle (MAS) solid-state nuclear magnetic resonance (SSNMR), does have the signal-to-noise and rigor to extract the local physical coordination structure of these materials, despite the challenges associated with deltahedra-based structures. This poster will describe the progress and challenges in structure determination through a comparison of unknown samples to known calibration standards using MAS techniques, in the context of furthering the general understanding of the electronic structure of a-B5 C:Hx and B4 C:Cy thin films.

  7. Influences of consolidation processes on local paper structure

    Science.gov (United States)

    Sung, Yongjoo

    The accurate measurement of the structural parameters such as thickness, grammage, apparent density and surface topography, and the proper evaluation of the variation of each parameter, are very important not only for predicting the end use properties of the paper, but also for diagnosing the pa permaking processes. The difficulty of the measurement of thickness at fine scale ˜1 mm has been an impediment to the understanding of local paper structure. To address this problem, a twin laser profilometer instrument (TLP) for non-contacting measurement of local thickness and surface topography was developed, characterized and calibrated in this work. The fundamental relationships between structural parameters were reexamined with various handsheet samples. The effects of wet pressing on the local paper structure were evaluated using laboratory static press and commercial press felts. The different press pressure had no significant influence on the local density variation of the handsheet samples. The influences of felts on the surface topography were also successfully observed. The different densification effects of soft nip and hard nip calendering processes were evaluated by direct comparison of structural parameters before and after processing. The much higher selective reduction in local thickness (larger reduction for the thicker area) by the hard nip calendering process resulted in different relationships between structural parameters. The various periodic variations in the paper structure were also detected, analyzed and identified. The effects of different forming elements such as the conventional foil system and the velocity induced drainage (VID) system on the paper structure and end use properties were evaluated with pilot machine trials and commercial product produced using different forming elements. Generally, the VID samples showed better formation, less two sidedness in the fine distribution through thickness direction, and less densification during

  8. Local electronic structure in the Peyrard-Bishop-Holstein model

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Jianxin; Rasmussen, K Oe; Balatsky, A V; Bishop, A R [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2007-04-04

    There is increasing evidence for polaronic effects on charge localization and dynamics in DNA. The Peyrard-Bishop-Holstein model has been previously suggested as an appropriate model for the description of such effects. Here we report a self-consistent study of local electronic structure within this model for both homopolymer and realistic viral P5 promoter segments. Our results indicate that both the inter-base-pair stacking interaction and the electron filling can qualitatively influence the polaronic properties in a specific DNA sequence, including features of two distinct length scales and competition with sequence-disorder induced localization.

  9. A novel method to compare protein structures using local descriptors

    Directory of Open Access Journals (Sweden)

    Daniluk Paweł

    2011-08-01

    Full Text Available Abstract Background Protein structure comparison is one of the most widely performed tasks in bioinformatics. However, currently used methods have problems with the so-called "difficult similarities", including considerable shifts and distortions of structure, sequential swaps and circular permutations. There is a demand for efficient and automated systems capable of overcoming these difficulties, which may lead to the discovery of previously unknown structural relationships. Results We present a novel method for protein structure comparison based on the formalism of local descriptors of protein structure - DEscriptor Defined Alignment (DEDAL. Local similarities identified by pairs of similar descriptors are extended into global structural alignments. We demonstrate the method's capability by aligning structures in difficult benchmark sets: curated alignments in the SISYPHUS database, as well as SISY and RIPC sets, including non-sequential and non-rigid-body alignments. On the most difficult RIPC set of sequence alignment pairs the method achieves an accuracy of 77% (the second best method tested achieves 60% accuracy. Conclusions DEDAL is fast enough to be used in whole proteome applications, and by lowering the threshold of detectable structure similarity it may shed additional light on molecular evolution processes. It is well suited to improving automatic classification of structure domains, helping analyze protein fold space, or to improving protein classification schemes. DEDAL is available online at http://bioexploratorium.pl/EP/DEDAL.

  10. Structure-aware Local Sparse Coding for Visual Tracking

    KAUST Repository

    Qi, Yuankai

    2018-01-24

    Sparse coding has been applied to visual tracking and related vision problems with demonstrated success in recent years. Existing tracking methods based on local sparse coding sample patches from a target candidate and sparsely encode these using a dictionary consisting of patches sampled from target template images. The discriminative strength of existing methods based on local sparse coding is limited as spatial structure constraints among the template patches are not exploited. To address this problem, we propose a structure-aware local sparse coding algorithm which encodes a target candidate using templates with both global and local sparsity constraints. For robust tracking, we show local regions of a candidate region should be encoded only with the corresponding local regions of the target templates that are the most similar from the global view. Thus, a more precise and discriminative sparse representation is obtained to account for appearance changes. To alleviate the issues with tracking drifts, we design an effective template update scheme. Extensive experiments on challenging image sequences demonstrate the effectiveness of the proposed algorithm against numerous stateof- the-art methods.

  11. Study of the local structure of materials with novel properties

    Science.gov (United States)

    Cao, Daliang

    The Local structure of a material is important information needed in order to fully understand its macroscopic properties. The X-ray Absorption Fine Structure (XAFS) technique is a local probe that is very useful when studying a system without long range order or a system with significant local distortions. The XAFS technique is also very useful for studying some defects or very lightly doped elements in a system to determine their local physical and chemical environment. A brief introduction to the XAFS theory and experimental setup will be presented in the first part of this thesis. The second part of this thesis is the experimental study of the local structure of several colossal magnetoresistive (CMR) materials, which include La1-xCaxMnO 3 (LCMO) systems as well as Ti and Ga doped LCMO materials. The local distortions of the Mn atoms were studied and compared with the transport properties and magnetization data for each sample. We found that the Mn local distortions are strongly correlated with the magnetization of the material. Although the electron transport in a CMR sample was proposed to have a direct coupling with the sample's magnetization in the Double Exchange (DE) mechanism, we found that was not always the case. The XAFS results for the negative thermal expansion (NTE) material, ZrW 2O8, and thermoelectric materials, filled skutterudites, are presented in the third part. The measurements of the local structure for ZrW2O8 shows that the originally proposed model with a large transverse vibration of the middle O atom in the WO-Zr linkage cannot be the primary origin of NTE in ZrW2O8. A rigid-tentpole model is presented to explain both the XAFS results as well as the absence of a soft-mode displacive phase transition in this material. As to the filled skutterudite, which has a general form of RT4X12 (R = Lanthanide, actinide, or alkali earth; T = Fe, Ru, Os; X = P, As, Sb), both X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption

  12. Damage localization in offshore structures using shaped inputs

    DEFF Research Database (Denmark)

    Ulriksen, Martin Dalgaard; Bernal, Dionisio; Nielsen, Morten Eggert

    2017-01-01

    Input shaping is an active control procedure by which vibrations in a structural subdomain are suppressed. Recently, a scheme based on shaped inputs has been proposed for damage localization purposes; cast on the premise that the vibration signature of a structural domain in a damaged phase...... will be identical to the signature of the healthy, reference counterpart if, for the same loading conditions, the subdomain containing damage is inactive in terms of vibrations. The methodological idea is, thus, to apply controllable inputs that are shaped such that particular vibration quantities (depending...... on the type of damage one seeks to localize) are suppressed in one subdomain at the time, hereby resulting in damage being localized when the vibration signature induced by the shaped inputs in the damaged phase corresponds to that obtained in the reference phase. The present paper treats an application study...

  13. Local densities of states for some embedded structures

    Energy Technology Data Exchange (ETDEWEB)

    Losev, A [Bulgarian Academy of Sciences, Institute of General and Inorganic Chemistry, 11 G Bonchev Street, Sofia BU-1113 (Bulgaria)

    2004-02-04

    The convolution method for calculations of the local densities of states is applied to some simple embedded model structures and quasiperiodic sequences of two types of layers are briefly considered. Some analytic results are derived along with a discussion about the limitations of this approach.

  14. Genetic structure among the local chicken ecotypes of Tanzania ...

    African Journals Online (AJOL)

    A study was conducted to evaluate the genetic structure of local chicken ecotypes of Tanzania using 20 polymorphic microsatellite DNA markers. A standard PCR was followed by manual genotyping (6% native polyacrylamide gel visualized by silver staining). Phylogenetic analysis of 13 individuals from each of the nine ...

  15. Identifying multiple influential spreaders via local structural similarity

    Science.gov (United States)

    Liu, J.-G.; Wang, Z.-Y.; Guo, Q.; Guo, L.; Chen, Q.; Ni, Y.-Z.

    2017-07-01

    Identifying the nodes with largest spreading influence is of significance for information diffusion, product exposure and contagious disease detection. In this letter, based on the local structural similarity, we present a method (LSS) to identify the multiple influential spreaders. Firstly, we choose the node with the largest degree as the first spreader. Then the new spreaders would be selected if they belong to the first- or second-order-neighbor node set of the spreaders and their local structural similarities with other spreaders are smaller than the threshold parameter r. Comparing with the susceptible-infected-recovered model, the experimental results for four empirical networks show that the spreading influences of spreaders selected by the local structural similarity method are larger than that of the color method, the degree, betweenness and closeness centralities. The further experimental results for the Barabàsi-Albert and random networks show that the LSS method could identify the multiple influential spreaders more accurately, which suggests that the local structural property plays a more important role than the distance for identifying multiple influential spreaders.

  16. Monaural Sound Localization Based on Reflective Structure and Homomorphic Deconvolution

    Science.gov (United States)

    Park, Yeonseok; Choi, Anthony

    2017-01-01

    The asymmetric structure around the receiver provides a particular time delay for the specific incoming propagation. This paper designs a monaural sound localization system based on the reflective structure around the microphone. The reflective plates are placed to present the direction-wise time delay, which is naturally processed by convolutional operation with a sound source. The received signal is separated for estimating the dominant time delay by using homomorphic deconvolution, which utilizes the real cepstrum and inverse cepstrum sequentially to derive the propagation response’s autocorrelation. Once the localization system accurately estimates the information, the time delay model computes the corresponding reflection for localization. Because of the structure limitation, two stages of the localization process perform the estimation procedure as range and angle. The software toolchain from propagation physics and algorithm simulation realizes the optimal 3D-printed structure. The acoustic experiments in the anechoic chamber denote that 79.0% of the study range data from the isotropic signal is properly detected by the response value, and 87.5% of the specific direction data from the study range signal is properly estimated by the response time. The product of both rates shows the overall hit rate to be 69.1%. PMID:28946625

  17. Analysis of local influences in structural details of the bridges

    Directory of Open Access Journals (Sweden)

    Adam RUDZIK

    2015-03-01

    Full Text Available The article analyses the problems of local influences in structural details of bridges as the critical locations, whose damages or excessive force may directly affect the safety of users. These analyses are shown on selected examples. Presented is the example of local changes in the forms of proper vibrations in the node of the truss bridge that can be used in expert issues concerning the causes of damages. The second example are the changes in stresses in the stay cable anchorage element including the nonlinear material models. Models of this type can be successfully used by engineers as they allow for analysis of selected structural details without the need for detailed mapping of the entire structure, but only a selected section.

  18. Understanding water’s anomalies with locally favoured structures

    Science.gov (United States)

    Russo, John; Tanaka, Hajime

    2014-04-01

    Water is a complex liquid that displays a surprising array of unusual properties, the most famous being the density maximum at about 4 °C. The origin of these anomalies is still a matter of debate, and so far a quantitative description of water’s phase behaviour starting from the molecular arrangements is still missing. Here we report a study of the microscopic structural features of water as obtained from computer simulations. We identify locally favoured structures having a high degree of translational order in the second shell, and a two-state model is used to describe the behaviour of liquid water over a wide region of the phase diagram. Furthermore, we show that locally favoured structures not only have translational order in the second shell but also contain five-membered rings of hydrogen-bonded molecules. This suggests their mixed character: the former helps crystallization, whereas the latter causes frustration against crystallization.

  19. Parametric localized modes in quadratic nonlinear photonic structures

    DEFF Research Database (Denmark)

    Sukhorukov, Andrey A.; Kivshar, Yuri S.; Bang, Ole

    2001-01-01

    We analyze two-color spatially localized nonlinear modes formed by parametrically coupled fundamental and second-harmonic fields excited at quadratic (or chi2) nonlinear interfaces embedded in a linear layered structure-a quadratic nonlinear photonic crystal. For a periodic lattice of nonlinear...... interfaces, we derive an effective discrete model for the amplitudes of the fundamental and second-harmonic waves at the interfaces (the so-called discrete chi2 equations) and find, numerically and analytically, the spatially localized solutions-discrete gap solitons. For a single nonlinear interface...... in a linear superlattice, we study the properties of two-color localized modes, and describe both similarities to and differences from quadratic solitons in homogeneous media....

  20. Local Structure and Magnetism of (Ga,Mn)As

    CERN Document Server

    AUTHOR|(CDS)2093111; Temst, Kristiaan

    Throughout the years, dilute magnetic semiconductors (DMS) have emerged as promising materials for semiconductor-based spintronics. In particular, (Ga,Mn)As has become the model system in which to explore the physics of carrier-mediated ferromagnetism in semiconductors and the associated spintronic phenomena, with a number of interesting functionalities and demonstrated proof-of-concept devices. It constitutes the perfect example of how the magnetic behavior of DMS materials is strongly influenced by local structure. In this thesis, we address key aspects of the interplay between local structure and ferromagnetism of (Ga,Mn)As. We unambiguously identify the lattice site occupied by interstitial Mn as the tetrahedral interstitial site with As nearest neighbors T(As). We show, furthermore, that the T(As) is the most energetically favorable site regardless of the interstitial atom forming or not complexes with substitutional Mn. We also evaluate the thermal stability of both interstitial and substitutional Mn si...

  1. Dynamics of Localized Structures in Systems with Broken Parity Symmetry

    CERN Document Server

    Javaloyes, J; Marconi, M; Giudici, M

    2016-01-01

    A great variety of nonlinear dissipative systems are known to host structures having a correlation range much shorter than the size of the system. The dynamics of these Localized Structures (LSs) have been investigated so far in situations featuring parity symmetry. In this letter we extend this analysis to systems lacking of this property. We show that the LS drifting speed in a parameter varying landscape is not simply proportional to the parameter gradient, as found in parity preserving situations. The symmetry breaking implies a new contribution to the velocity field which is a function of the parameter value, thus leading to a new paradigm for LSs manipulation. We illustrate this general concept by studying the trajectories of the LSs found in a passively mode-locked laser operated in the localization regime. Moreover, the lack of parity affects significantly LSs interactions which are governed by asymmetrical repulsive forces.

  2. Investigations on the local structure and the spin-Hamiltonian ...

    Indian Academy of Sciences (India)

    ... and the required crystal field parameters are obtained using the superposition model and the local structures of the studied [ C u ( H 2 O ) 6 ] 2 + cluster. According to the calculations, the ligand octahedra around C u 2 + suffer relative elongation\\tau{\\sim 0.085 \\AA) along the [0 0 1] (or \\tau{\\sim 0.085 \\AA) along the [0 0 1] ...

  3. On Weil homomorphism in locally free sheaves over structured spaces

    Directory of Open Access Journals (Sweden)

    Falkiewicz Ewa

    2017-04-01

    Full Text Available Inspired by the work of Heller and Sasin [1], we construct in this paper Weil homomorphism in a locally free sheaf W of ϕ-fields [2] over a structured space. We introduce the notion of G-consistent, linear connection on this sheaf, what allows us to clearly define Chern, Pontrjagin and Euler characteristic classes. We also show proper equalities between those classes.

  4. Local structure of Eu3+ ions in fluorophosphate laser glass

    Indian Academy of Sciences (India)

    Abstract. A fluorophosphate laser glass doped with 1.0 mol% of Eu3+ ions has been prepared and studied by site-selective spectroscopy to explore the local structure of Eu3+ ions. Site-selective 5D0 → 7F1,2 emission spectra have been measured under resonant excitation to the 5D0 level at different wavelengths within ...

  5. Investigations on the local structure and the spin-Hamiltonian ...

    Indian Academy of Sciences (India)

    2016-07-13

    Jul 13, 2016 ... along the [0 0 1] (or C4) axis for the tetragonal Cu2+ centres in ZnGeF6·6H2O crystal, due to the Jahn–Teller effect. The calculated results show good agreement with the experimental data. Keywords. Electron paramagnetic resonance (EPR); local structure; Cu2+; ZnGeF6·6H2O. PACS Nos 76.30.Fc; 71.70 ...

  6. Electronic Structure, Localization and 5f Occupancy in Pu Materials

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, John J. [Los Alamos National Laboratory; Beaux, Miles F. [Los Alamos National Laboratory; Durakiewicz, Tomasz [Los Alamos National Laboratory; Graham, Kevin S. [Los Alamos National Laboratory; Bauer, Eric D. [Los Alamos National Laboratory; Mitchell, Jeremy N. [Los Alamos National Laboratory; Tobash, Paul H. [Los Alamos National Laboratory; Richmond, Scott [Los Alamos National Laboratory

    2012-05-03

    The electronic structure of delta plutonium ({delta}-Pu) and plutonium compounds is investigated using photoelectron spectroscopy (PES). Results for {delta}-Pu show a small component of the valence electronic structure which might reasonably be associated with a 5f{sup 6} configuration. PES results for PuTe are used as an indication for the 5f{sup 6} configuration due to the presence of atomic multiplet structure. Temperature dependent PES data on {delta}-Pu indicate a narrow peak centered 20 meV below the Fermi energy and 100 meV wide. The first PES data for PuCoIn5 indicate a 5f electronic structure more localized than the 5fs in the closely related PuCoGa{sub 5}. There is support from the PES data for a description of Pu materials with an electronic configuration of 5f{sup 5} with some admixture of 5f{sup 6} as well as a localized/delocalized 5f{sup 5} description.

  7. Hypo-analytic structures local theory (PMS-40)

    CERN Document Server

    Treves, François

    2014-01-01

    In Hypo-Analytic Structures Franois Treves provides a systematic approach to the study of the differential structures on manifolds defined by systems of complex vector fields. Serving as his main examples are the elliptic complexes, among which the De Rham and Dolbeault are the best known, and the tangential Cauchy-Riemann operators. Basic geometric entities attached to those structures are isolated, such as maximally real submanifolds and orbits of the system. Treves discusses the existence, uniqueness, and approximation of local solutions to homogeneous and inhomogeneous equations and delimits their supports. The contents of this book consist of many results accumulated in the last decade by the author and his collaborators, but also include classical results, such as the Newlander-Nirenberg theorem. The reader will find an elementary description of the FBI transform, as well as examples of its use. Treves extends the main approximation and uniqueness results to first-order nonlinear equations by means of ...

  8. Structural eigenfrequency optimization based on local sub-domain "frequencies"

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2013-01-01

    eigenfrequencies may also be controlled in this manner.The presented examples are based on 2D finite element models with the use of subspace iteration for analysis and a recursive design procedure based on the derived optimality condition. The design that maximize a frequency depend on the total amount......The engineering approach of fully stressed design is a practical tool with a theoretical foundation. The analog approach to structural eigenfrequency optimization is presented here with its theoretical foundation. A numerical redesign procedure is proposed and illustrated with examples.......For the ideal case, an optimality criterion is fulfilled if the design have the same sub-domain ”frequency” (local Rayleigh quotient). Sensitivity analysis shows an important relation between squared system eigenfrequency and squared local sub-domain frequency for a given eigenmode. Higher order...

  9. Local pulmonary structure classification for computer-aided nodule detection

    Science.gov (United States)

    Bahlmann, Claus; Li, Xianlin; Okada, Kazunori

    2006-03-01

    We propose a new method of classifying the local structure types, such as nodules, vessels, and junctions, in thoracic CT scans. This classification is important in the context of computer aided detection (CAD) of lung nodules. The proposed method can be used as a post-process component of any lung CAD system. In such a scenario, the classification results provide an effective means of removing false positives caused by vessels and junctions thus improving overall performance. As main advantage, the proposed solution transforms the complex problem of classifying various 3D topological structures into much simpler 2D data clustering problem, to which more generic and flexible solutions are available in literature, and which is better suited for visualization. Given a nodule candidate, first, our solution robustly fits an anisotropic Gaussian to the data. The resulting Gaussian center and spread parameters are used to affine-normalize the data domain so as to warp the fitted anisotropic ellipsoid into a fixed-size isotropic sphere. We propose an automatic method to extract a 3D spherical manifold, containing the appropriate bounding surface of the target structure. Scale selection is performed by a data driven entropy minimization approach. The manifold is analyzed for high intensity clusters, corresponding to protruding structures. Techniques involve EMclustering with automatic mode number estimation, directional statistics, and hierarchical clustering with a modified Bhattacharyya distance. The estimated number of high intensity clusters explicitly determines the type of pulmonary structures: nodule (0), attached nodule (1), vessel (2), junction (>3). We show accurate classification results for selected examples in thoracic CT scans. This local procedure is more flexible and efficient than current state of the art and will help to improve the accuracy of general lung CAD systems.

  10. Topology Optimization of Continuum Structures with Local Stress Constraints

    DEFF Research Database (Denmark)

    Duysinx, Pierre; Bendsøe, Martin P

    1997-01-01

    materials. Then, an empirical model is proposed for the power law materials (also called SIMP materials). In a second part, solution aspects of topology problems are considered. To deal with the so-called 'singularity' phenomenon of stress constraints in topology design, an $\\epsilon$ constraint relaxation......We introduce an extension of current technologies for topology optimization of continuum structures which allows for treating local stress criteria. We first consider relevant stress criteria for porous composite materials, initially by studying the stress states of the so-called rank~2 layered...

  11. Localized structures in dissipative media: from optics to plant ecology

    Science.gov (United States)

    Tlidi, M.; Staliunas, K.; Panajotov, K.; Vladimirov, A. G.; Clerc, M. G.

    2014-01-01

    Localized structures (LSs) in dissipative media appear in various fields of natural science such as biology, chemistry, plant ecology, optics and laser physics. The proposal for this Theme Issue was to gather specialists from various fields of nonlinear science towards a cross-fertilization among active areas of research. This is a cross-disciplinary area of research dominated by nonlinear optics due to potential applications for all-optical control of light, optical storage and information processing. This Theme Issue contains contributions from 18 active groups involved in the LS field and have all made significant contributions in recent years. PMID:25246688

  12. Local and regional factors influence the structure of treehole metacommunities

    Science.gov (United States)

    Paradise, Christopher J; Blue, Jarrod D; Burkhart, John Q; Goldberg, Justin; Harshaw, Lauren; Hawkins, Katherine D; Kegan, Benjamin; Krentz, Tyler; Smith, Leslie; Villalpando, Shawn

    2008-01-01

    Background Abiotic and biotic factors in a local habitat may strongly impact the community residing within, but spatially structured metacommunities are also influenced by regional factors such as immigration and colonization. We used three years of monthly treehole census data to evaluate the relative influence of local and regional factors on our study system. Results Every species responded to at least one of three local environmental factors measured: water volume, leaf litter mass, and presence of a top predator. Several species were affected by water volume, and a non-exclusive group of species were influenced by leaf litter mass. Relative abundance of Aedes triseriatus was higher in treeholes with higher volumes of water, and relative abundances of three out of six other species were lower in treeholes with higher volumes of water. Leaf litter mass positively affected densities of Aedes triseriatus and relative abundance of several dipteran species. The density of the top predator, Toxorhynchites rutilus, affected the relative abundance of the two most common species, A. triseriatus and Culicoides guttipennis. Treeholes with T. rutilus had an average of two more species than treeholes without T. rutilus. We found little evidence of synchrony between pairs of treeholes, either spatially or temporally. There were high levels of spatial and temporal turnover, and spatial turnover increased with distance between patches. Conclusion The strong effects of water volume, leaf litter mass, and presence of a top predator, along with the high temporal turnover strongly suggest that species presence and density are determined by local factors and changes in those factors over time. Both low water volume and high predator densities can eliminate populations in local patches, and those populations can recolonize patches when rain refills or predators exit treeholes. Population densities of the same species were not matched between pairs of treeholes, suggesting variation

  13. Local and regional factors influence the structure of treehole metacommunities

    Directory of Open Access Journals (Sweden)

    Kegan Benjamin

    2008-12-01

    Full Text Available Abstract Background Abiotic and biotic factors in a local habitat may strongly impact the community residing within, but spatially structured metacommunities are also influenced by regional factors such as immigration and colonization. We used three years of monthly treehole census data to evaluate the relative influence of local and regional factors on our study system. Results Every species responded to at least one of three local environmental factors measured: water volume, leaf litter mass, and presence of a top predator. Several species were affected by water volume, and a non-exclusive group of species were influenced by leaf litter mass. Relative abundance of Aedes triseriatus was higher in treeholes with higher volumes of water, and relative abundances of three out of six other species were lower in treeholes with higher volumes of water. Leaf litter mass positively affected densities of Aedes triseriatus and relative abundance of several dipteran species. The density of the top predator, Toxorhynchites rutilus, affected the relative abundance of the two most common species, A. triseriatus and Culicoides guttipennis. Treeholes with T. rutilus had an average of two more species than treeholes without T. rutilus. We found little evidence of synchrony between pairs of treeholes, either spatially or temporally. There were high levels of spatial and temporal turnover, and spatial turnover increased with distance between patches. Conclusion The strong effects of water volume, leaf litter mass, and presence of a top predator, along with the high temporal turnover strongly suggest that species presence and density are determined by local factors and changes in those factors over time. Both low water volume and high predator densities can eliminate populations in local patches, and those populations can recolonize patches when rain refills or predators exit treeholes. Population densities of the same species were not matched between pairs of

  14. Vacuum arc localization in CLIC prototype radio frequency accelerating structures

    CERN Document Server

    AUTHOR|(CDS)2091976; Koivunen, Visa

    2016-04-04

    A future linear collider capable of reaching TeV collision energies should support accelerating gradients beyond 100 MV/m. At such high fields, the occurrence of vacuum arcs have to be mitigated through conditioning, during which an accelerating structure’s resilience against breakdowns is slowly increased through repeated radio frequency pulsing. Conditioning is very time and resource consuming, which is why developing more efficient procedures is desirable. At CERN, conditioning related research is conducted at the CLIC high-power X-band test stands. Breakdown localization is an important diagnostic tool of accelerating structure tests. Abnormal position distributions highlight issues in structure design, manufacturing or operation and may consequently help improve these processes. Additionally, positioning can provide insight into the physics of vacuum arcs. In this work, two established positioning methods based on the time-difference-ofarrival of radio frequency waves are extended. The first method i...

  15. Embrittlement and Flow Localization in Reactor Structural Materials

    Energy Technology Data Exchange (ETDEWEB)

    Xianglin Wu; Xiao Pan; James Stubbins

    2006-10-06

    Many reactor components and structural members are made from metal alloys due, in large part, to their strength and ability to resist brittle fracture by plastic deformation. However, brittle fracture can occur when structural material cannot undergo extensive, or even limited, plastic deformation due to irradiation exposure. Certain irradiation conditions lead to the development of a damage microstructure where plastic flow is limited to very small volumes or regions of material, as opposed to the general plastic flow in unexposed materials. This process is referred to as flow localization or plastic instability. The true stress at the onset of necking is a constant regardless of the irradiation level. It is called 'critical stress' and this critical stress has strong temperature dependence. Interrupted tensile testes of 316L SS have been performed to investigate the microstructure evolution and competing mechanism between mechanic twinning and planar slip which are believed to be the controlling mechanism for flow localization. Deformation twinning is the major contribution of strain hardening and good ductility for low temperatures, and the activation of twinning system is determined by the critical twinning stress. Phases transform and texture analyses are also discussed in this study. Finite element analysis is carried out to complement the microstructural analysis and for the prediction of materaials performance with and without stress concentration and irradiation.

  16. A local immunization strategy for networks with overlapping community structure

    Science.gov (United States)

    Taghavian, Fatemeh; Salehi, Mostafa; Teimouri, Mehdi

    2017-02-01

    Since full coverage treatment is not feasible due to limited resources, we need to utilize an immunization strategy to effectively distribute the available vaccines. On the other hand, the structure of contact network among people has a significant impact on epidemics of infectious diseases (such as SARS and influenza) in a population. Therefore, network-based immunization strategies aim to reduce the spreading rate by removing the vaccinated nodes from contact network. Such strategies try to identify more important nodes in epidemics spreading over a network. In this paper, we address the effect of overlapping nodes among communities on epidemics spreading. The proposed strategy is an optimized random-walk based selection of these nodes. The whole process is local, i.e. it requires contact network information in the level of nodes. Thus, it is applicable to large-scale and unknown networks in which the global methods usually are unrealizable. Our simulation results on different synthetic and real networks show that the proposed method outperforms the existing local methods in most cases. In particular, for networks with strong community structures, high overlapping membership of nodes or small size communities, the proposed method shows better performance.

  17. Lamin B Receptor: Interplay between Structure, Function and Localization.

    Science.gov (United States)

    Nikolakaki, Eleni; Mylonis, Ilias; Giannakouros, Thomas

    2017-08-31

    Lamin B receptor (LBR) is an integral protein of the inner nuclear membrane, containing a hydrophilic N-terminal end protruding into the nucleoplasm, eight hydrophobic segments that span the membrane and a short, nucleoplasmic C-terminal tail. Two seemingly unrelated functions have been attributed to LBR. Its N-terminal domain tethers heterochromatin to the nuclear periphery, thus contributing to the shape of interphase nuclear architecture, while its transmembrane domains exhibit sterol reductase activity. Mutations within the transmembrane segments result in defects in cholesterol synthesis and are associated with diseases such as the Pelger-Huët anomaly and Greenberg skeletal dysplasia, whereas no such harmful mutations related to the anchoring properties of LBR have been reported so far. Recent evidence suggests a dynamic regulation of LBR expression levels, structural organization, localization and function, in response to various signals. The molecular mechanisms underlying this dynamic behavior have not yet been fully unraveled. Here, we provide an overview of the current knowledge of the interplay between the structure, function and localization of LBR, and hint at the interconnection of the two distinct functions of LBR.

  18. Lamin B Receptor: Interplay between Structure, Function and Localization

    Directory of Open Access Journals (Sweden)

    Eleni Nikolakaki

    2017-08-01

    Full Text Available Lamin B receptor (LBR is an integral protein of the inner nuclear membrane, containing a hydrophilic N-terminal end protruding into the nucleoplasm, eight hydrophobic segments that span the membrane and a short, nucleoplasmic C-terminal tail. Two seemingly unrelated functions have been attributed to LBR. Its N-terminal domain tethers heterochromatin to the nuclear periphery, thus contributing to the shape of interphase nuclear architecture, while its transmembrane domains exhibit sterol reductase activity. Mutations within the transmembrane segments result in defects in cholesterol synthesis and are associated with diseases such as the Pelger–Huët anomaly and Greenberg skeletal dysplasia, whereas no such harmful mutations related to the anchoring properties of LBR have been reported so far. Recent evidence suggests a dynamic regulation of LBR expression levels, structural organization, localization and function, in response to various signals. The molecular mechanisms underlying this dynamic behavior have not yet been fully unraveled. Here, we provide an overview of the current knowledge of the interplay between the structure, function and localization of LBR, and hint at the interconnection of the two distinct functions of LBR.

  19. Local structural ordering in surface-confined liquid crystals

    Science.gov (United States)

    Śliwa, I.; Jeżewski, W.; Zakharov, A. V.

    2017-06-01

    The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.

  20. Local structure of solid Rb at megabar pressures

    Energy Technology Data Exchange (ETDEWEB)

    De Panfilis, S. [Centre for Life Nano Science IIT@Sapienza, Istituto Italiano di Tecnologia, I-00161 Roma (Italy); Gorelli, F.; Santoro, M. [INO-CNR and LENS, I-50019 Sesto Fiorentino, Firenze (Italy); Ulivi, L. [ISC-CNR, I-50019 Sesto Fiorentino, Firenze (Italy); Gregoryanz, E. [School of Physics and Astronomy, Centre for Science Under Extreme Conditions, University of Edinburgh, Edinburgh EH9 3JZ (United Kingdom); Irifune, T.; Shinmei, T. [Geodynamics Research Center, Ehime University, Matsuyama 790-8577 (Japan); Kantor, I.; Mathon, O.; Pascarelli, S. [European Synchrotron Radiation Facility, F-38043 Grenoble (France)

    2015-06-07

    We have investigated the local and electronic structure of solid rubidium by means of x-ray absorption spectroscopy up to 101.0 GPa, thus doubling the maximum investigated experimental pressure. This study confirms the predicted stability of phase VI and was completed by the combination of two pivotal instrumental solutions. On one side, we made use of nanocrystalline diamond anvils, which, contrary to the more commonly used single crystal diamond anvils, do not generate sharp Bragg peaks (glitches) at specific energies that spoil the weak fine structure oscillations in the x-ray absorption cross section. Second, we exploited the performance of a state-of-the-art x-ray focussing device yielding a beam spot size of 5 × 5 μm{sup 2}, spatially stable over the entire energy scan. An advanced data analysis protocol was implemented to extract the pressure dependence of the structural parameters in phase VI of solid Rb from 51.2 GPa up to the highest pressure. A continuous reduction of the nearest neighbour distances was observed, reaching about 6% over the probed pressure range. We also discuss a phenomenological model based on the Einstein approximation to describe the pressure behaviour of the mean-square relative displacement. Within this simplified scheme, we estimate the Grüneisen parameter for this high pressure Rb phase to be in the 1.3–1.5 interval.

  1. Evaluating the Importance of Local Environment on Tree Structural Allometries

    Science.gov (United States)

    Duncanson, L.; Cook, B. D.; Rourke, O.; Hurtt, G. C.; Dubayah, R.

    2013-12-01

    Allometric relationships relating various forest structural properties such as DBH, tree height and aboveground biomass have been developed through detailed field data collection both in the United States, and globally. However, there has been limited attention to explaining observed variability in these relationships. Often, a single relationship is developed for a single species, and is applied irrespective of environment. In this research, we attempt to explain allometry as a function of environment by focusing on the relationship between DBH, crown radius and tree height. Two primary datasets are used to conduct this research. First, the Forest Inventory Analysis (FIA) dataset, including tree DBH and height information for the United States, are used to investigate variability in the relationship between DBH and tree height. Second, high-resolution airborne lidar datasets were collected from areas across the US, Canada and Costa Rica and are applied to investigate variability in the relationship between crown radius and height. The lidar datasets are run through a generalized canopy delineation algorithm to produce multilayered estimates of individual tree location, height, and crown radius. Power law functions are fit to the relationships between DBH and tree height, and crown radius and tree height. The mean and standard deviation of the power law exponents are compared to environmental attributes including precipitation, temperature, topography, and age since disturbance. This research demonstrates that although universal tendencies are observed in average power law exponents, considerable local variability exists that can be partially attributed to local environment. Therefore local environment, as well as tree species, should be accounted for in the development and application of allometric equations for forest studies.

  2. Topology Optimization of Continuum Structures with Local Stress Constraints

    DEFF Research Database (Denmark)

    Duysinx, Pierre; Bendsøe, Martin P

    1998-01-01

    We introduce an extension of current technologies for topology optimization of continuum structures which allows for treating local stress criteria. We first consider relevant stress criteria for porous composite materials, initially by studying the stress states of the so-called rank 2 layered...... materials. Then, on the basis of the theoretical study of the rank 2 microstructures, we propose an empirical model, that extends the power penalized stiffness model (also called SIMP for Solid Isotropic Microstructure with Penalization for intermediate densities). In a second part, solution aspects...... of topology problems are considered. To deal with the so-called 'singularity' phenomenon of stress constraints in topology design, an epsilon-constraint relaxation of the stress constraints is used. We describe the mathematical programming approach that is used to solve the numerical optimization problems...

  3. Quantum correlations and light localization in disordered nanophotonic structures

    DEFF Research Database (Denmark)

    Smolka, Stephan

    photon uctuations that is larger than the predicted enhancement of the backscattered light intensity. Characterizing the quantum properties of multiply scattered light forms the basis for studies of quantum interference and quantum entanglement in disordered media. Anderson localization of light......This thesis reports results on quantum properties of light in multiple-scattering nano-structured materials. Spatial quantum correlations of photons are demonstrated experimentally that are induced by multiple scattering of squeezed light and of purely quantum origin. By varying the quantum state...... of the light source, positive and negative spatial quantum correlations are observed. Angular-resolved measurements of multiply scattered photons show the innite range of the correlation function in the diusive regime. The multiply scattered light is characterized in frequency-resolved quantum noise...

  4. Localized structures in dissipative media: from optics to plant ecology.

    Science.gov (United States)

    Tlidi, M; Staliunas, K; Panajotov, K; Vladimirov, A G; Clerc, M G

    2014-10-28

    Localized structures (LSs) in dissipative media appear in various fields of natural science such as biology, chemistry, plant ecology, optics and laser physics. The proposal for this Theme Issue was to gather specialists from various fields of nonlinear science towards a cross-fertilization among active areas of research. This is a cross-disciplinary area of research dominated by nonlinear optics due to potential applications for all-optical control of light, optical storage and information processing. This Theme Issue contains contributions from 18 active groups involved in the LS field and have all made significant contributions in recent years. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  5. Image Registration Based on Autocorrelation of Local Structure.

    Science.gov (United States)

    Li, Zhang; Mahapatra, Dwarikanath; Tielbeek, Jeroen A W; Stoker, Jaap; van Vliet, Lucas J; Vos, Frans M

    2016-01-01

    Registration of images in the presence of intra-image signal fluctuations is a challenging task. The definition of an appropriate objective function measuring the similarity between the images is crucial for accurate registration. This paper introduces an objective function that embeds local phase features derived from the monogenic signal in the modality independent neighborhood descriptor (MIND). The image similarity relies on the autocorrelation of local structure (ALOST) which has two important properties: 1) low sensitivity to space-variant intensity distortions (e.g., differences in contrast enhancement in MRI); 2) high distinctiveness for 'salient' image features such as edges. The ALOST method is quantitatively compared to the MIND approach based on three different datasets: thoracic CT images, synthetic and real abdominal MR images. The proposed method outperformed the NMI and MIND similarity measures on these three datasets. The registration of dynamic contrast enhanced and post-contrast MR images of patients with Crohn's disease led to relative contrast enhancement measures with the highest correlation (r=0.56) to the Crohn's disease endoscopic index of severity.

  6. Compare local pocket and global protein structure models by small structure patterns

    KAUST Repository

    Cui, Xuefeng

    2015-09-09

    Researchers proposed several criteria to assess the quality of predicted protein structures because it is one of the essential tasks in the Critical Assessment of Techniques for Protein Structure Prediction (CASP) competitions. Popular criteria include root mean squared deviation (RMSD), MaxSub score, TM-score, GDT-TS and GDT-HA scores. All these criteria require calculation of rigid transformations to superimpose the the predicted protein structure to the native protein structure. Yet, how to obtain the rigid transformations is unknown or with high time complexity, and, hence, heuristic algorithms were proposed. In this work, we carefully design various small structure patterns, including the ones specifically tuned for local pockets. Such structure patterns are biologically meaningful, and address the issue of relying on a sufficient number of backbone residue fragments for existing methods. We sample the rigid transformations from these small structure patterns; and the optimal superpositions yield by these small structures are refined and reported. As a result, among 11; 669 pairs of predicted and native local protein pocket models from the CASP10 dataset, the GDT-TS scores calculated by our method are significantly higher than those calculated by LGA. Moreover, our program is computationally much more efficient. Source codes and executables are publicly available at http://www.cbrc.kaust.edu.sa/prosta/

  7. Local field enhancement and thermoplasmonics in multimodal aluminum structures

    Science.gov (United States)

    Wiecha, Peter R.; Mennemanteuil, Marie-Maxime; Khlopin, Dmitry; Martin, Jérôme; Arbouet, Arnaud; Gérard, Davy; Bouhelier, Alexandre; Plain, Jérôme; Cuche, Aurélien

    2017-07-01

    Aluminum nanostructures have recently been at the focus of numerous studies due to their properties including oxidation stability and surface plasmon resonances covering the ultraviolet and visible spectral windows. In this article, we reveal a facet of this metal relevant for both plasmonic purposes and photothermal conversion. The field distribution of high-order plasmonic resonances existing in two-dimensional Al structures is studied by nonlinear photoluminescence microscopy in a spectral region where electronic interband transitions occur. The polarization sensitivity of the field intensity maps shows that the electric field concentration can be addressed and controlled on demand. We use a numerical tool based on the Green dyadic method to analyze our results and to simulate the absorbed energy that is locally converted into heat. The polarization-dependent temperature increase of the Al structures is experimentally quantitatively measured, and is in an excellent agreement with theoretical predictions. Our work highlights Al as a promising candidate for designing thermal nanosources integrated in coplanar geometries for thermally assisted nanomanipulation or biophysical applications.

  8. Band gaps in grid structure with periodic local resonator subsystems

    Science.gov (United States)

    Zhou, Xiaoqin; Wang, Jun; Wang, Rongqi; Lin, Jieqiong

    2017-09-01

    The grid structure is widely used in architectural and mechanical field for its high strength and saving material. This paper will present a study on an acoustic metamaterial beam (AMB) based on the normal square grid structure with local resonators owning both flexible band gaps and high static stiffness, which have high application potential in vibration control. Firstly, the AMB with variable cross-section frame is analytically modeled by the beam-spring-mass model that is provided by using the extended Hamilton’s principle and Bloch’s theorem. The above model is used for computing the dispersion relation of the designed AMB in terms of the design parameters, and the influences of relevant parameters on band gaps are discussed. Then a two-dimensional finite element model of the AMB is built and analyzed in COMSOL Multiphysics, both the dispersion properties of unit cell and the wave attenuation in a finite AMB have fine agreement with the derived model. The effects of design parameters of the two-dimensional model in band gaps are further examined, and the obtained results can well verify the analytical model. Finally, the wave attenuation performances in three-dimensional AMBs with equal and unequal thickness are presented and discussed.

  9. Understanding Local Structure versus Long-Range Structure: The Case of UO2.

    Science.gov (United States)

    Desgranges, Lionel; Ma, Yue; Garcia, Philippe; Baldinozzi, Gianguido; Siméone, David; Fischer, Henry E

    2018-02-09

    A recent trend in the development of new optimized materials makes use of crystalline domains having nanometer sizes for which characterization methods at the atomic scale are mandatory. Amongst them is pair-distribution function analysis (PDF-analysis), a diffraction technique that has already shown that a short-range or "local" atomic structure of a given domain, having a lower symmetry than the average long-range structure, often exists in many compounds having valuable properties for industrial applications, such as pyrochlores, spinels, and doped ceria among others. However, the manner by which these domains are arranged to produce the average long-range structure is still an open question. Herein, the first structural model that accounts for both the local structure (inside a given domain) and the long-range structure (averaged over all domains) that is observed in the PDF of uranium dioxide is presented. The structural model describes domain walls in such a way as to preserve the uranium coordination polyhedron and to obey the needed symmetry rules. The proper description of domain walls is an important step in the understanding and the modelling of nanostructured materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Probing the band structure and local electronic properties of low-dimensional semiconductor structures

    Science.gov (United States)

    Walrath, Jenna Cherie

    Low-dimensional semiconductor structures are important for a wide variety of applications, and recent advances in nanoscale fabrication are paving the way for increasingly precise nano-engineering of a wide range of materials. It is therefore essential that the physics of materials at the nanoscale are thoroughly understood to unleash the full potential of nanotechnology, requiring the development of increasingly sophisticated instrumentation and modeling. Of particular interest is the relationship between the local density of states (LDOS) of low-dimensional structures and the band structure and local electronic properties. This dissertation presents the investigation of the band structure, LDOS, and local electronic properties of nanostructures ranging from zero-dimensional (0D) quantum dots (QDs) to two-dimensional (2D) thin films, synthesizing computational and experimental approaches including Poisson-Schrodinger band structure calculations, scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and scanning thermoelectric microscopy (SThEM). A method is presented for quantifying the local Seebeck coefficient (S) with SThEM, using a quasi-3D conversion matrix approach to directly convert temperature gradient-induced voltages S. For a GaAs p-n junction, the resulting S-profile is consistent with that computed using the free carrier concentration profile. This combined computational-experimental approach is expected to enable nanoscale measurements of S across a wide variety of heterostructure interfaces. The local carrier concentration, n, is profiled across epitaxial InAs/GaAs QDs, where SThEM is used to profile the temperature gradient-induced voltage, which is converted to a profile of the local S and finally to an n profile. The S profile is converted to a conduction band-edge profile and compared with Poisson-Schrodinger band-edge simulations. The combined computational-experimental approach suggests a reduced n in the QD center in

  11. Historic timber skeleton structures and the local seismic culture

    Science.gov (United States)

    Bostenaru, M.

    2009-04-01

    This presentation deals with the employment of timber skeleton structure and the local seismic culture. After the 1755 earthquake in the reconstruction of Lisbon a type of building with timber skeleton and masonry infill called "gaiola pombalina" was promoted, since this was designed to better resists earthquakes. "Gaiola" means cage, and it was also named after the Marques de Pombal who introduced it in the reconstruction following the earthquake. The „gaiola pombalina" presents a timber skeleton with Saint Andrew crosses in the interior walls with masonry infill and thick masonry load bearing walls loosing in thickness to the upper floors in the exterior walls. The masonry can fall out during earthquakes but the building remains staying given the interior timber skeleton. The type of buildings with timber structure and (masonry) infill behaved well in earthquakes in various parts of the earth, like Nepal (the dhaji dewary type), Pakistan, Turkey (the himiş type after the 1999 earthquake) [both latter types were researched by Langenbach, www.conservationtech.com and www.traditional-is-modern.net] and also in Germany after the 1356 earthquake (the Southern German subtype of Fachwerk). Also in Italy a subtype called "casa baraccata" was promoted in a construction code to a similar time (following the 1783 earthquake in Southern Italy, see Tobriner 1983) as that of the "gaiola pombalina", the time of the Baroque, when town planning acquired another status. Unlike at the "gaiola pombalina" the "casa baraccata" the timber skeleton is at the exterior walls. For this reason this type of buildings is considered to be an expression of the local seismic culture. However, this type of buildings is common also for areas where seismic risk is not an issue, like half-timbered in England and the northern subtype of Fachwerk in Northern Germany, and in some high seismic risk regions with mountains and timber resources like Romania is not spread. Given these premises the author

  12. The Structure of Shocks in the Very Local Interstellar Medium

    Science.gov (United States)

    Mostafavi, P.; Zank, G. P.

    2018-02-01

    The Voyager 1 magnetometer has detected several shock waves in the very local interstellar medium (VLISM). Interplanetary shock waves can be transmitted across the heliopause (HP) into the VLISM. The first in situ shock observed by Voyager 1 inside the VLISM was remarkably broad and had properties different than those of shocks inside the heliosphere. We present a model of the 2012 VLISM shock, which was observed to be a weak, quasi-perpendicular, low magnetosonic Mach number, low beta, and subcritical shock. Although the heliosphere is a collisionless environment, we show that the VLISM is collisional with respect to the thermal plasma, and that the thermal collisions introduce dissipative terms such as heat conduction and viscosity. The structure of the VLISM shock is determined by thermal proton–proton collisions. VLISM pickup ions (PUIs) do not introduce a significant pressure or dissipation through the shock transition, meaning that the VLISM shock is not mediated by PUIs but only by the thermal gas and magnetic field. Therefore, VLISM shocks are controlled by particle collisions and not by wave–particle interactions. We find that the weak VLISM shock is very broad with a thickness of about 0.12 au, corresponding to the characteristic thermal heat conduction scale length.

  13. Strength through structure: visualization and local assessment of the trabecular bone structure

    Science.gov (United States)

    Räth, C.; Monetti, R.; Bauer, J.; Sidorenko, I.; Müller, D.; Matsuura, M.; Lochmüller, E.-M.; Zysset, P.; Eckstein, F.

    2008-12-01

    The visualization and subsequent assessment of the inner human bone structures play an important role for better understanding the disease- or drug-induced changes of bone in the context of osteoporosis giving prospect for better predictions of bone strength and thus of the fracture risk of osteoporotic patients. In this work, we show how the complex trabecular bone structure can be visualized using μCT imaging techniques at an isotropic resolution of 26 μm. We quantify these structures by calculating global and local topological and morphological measures, namely Minkowski functionals (MFs) and utilizing the (an-)isotropic scaling index method (SIM) and by deriving suitable texture measures based on MF and SIM. Using a sample of 151 specimens taken from human vertebrae in vitro, we correlate the texture measures with the mechanically measured maximum compressive strength (MCS), which quantifies the strength of the bone probe, by using Pearson's correlation coefficient. The structure parameters derived from the local measures yield good correlations with the bone strength as measured in mechanical tests. We investigate whether the performance of the texture measures depends on the MCS value by selecting different subsamples according to MCS. Considering the whole sample the results for the newly defined parameters are better than those obtained for the standard global histomorphometric parameters except for bone volume/total volume (BV/TV). If a subsample consisting only of weak bones is analysed, the local structural analysis leads to similar and even better correlations with MCS as compared to BV/TV. Thus, the MF and SIM yield additional information about the stability of the bone especially in the case of weak bones, which corroborates the hypothesis that the bone structure (and not only its mineral mass) constitutes an important component of bone stability.

  14. Strength through structure: visualization and local assessment of the trabecular bone structure

    Energy Technology Data Exchange (ETDEWEB)

    Raeth, C; Monetti, R; Bauer, J; Sidorenko, I [Max-Planck Institut fuer Extraterrestrische Physik, Giessenbachstrasse 1, 85748 Garching (Germany); Mueller, D [Department of Radiology, Technische Universitaet Muenchen, Klinikum rechts der Isar, Ismaninger Strasse 22, 81675 Munich (Germany); Matsuura, M [Institute of Anatomy, Ludwig Maximilians Universitaet Muenchen, Pettenkoferstrasse 11, 80336 Muenchen (Germany); Lochmueller, E-M [Department of Gynaecology I, Ludwig Maximilians Universitaet Muenchen, Maistrasse 11, 80337 Muenchen (Germany); Zysset, P [Institute for Lightweight Design and Structural Biomechanics, Vienna University of Technology (TU-Wien), Gusshausstrasse 27-29, 1040 Wien (Austria); Eckstein, F [Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg (Austria)], E-mail: cwr@mpe.mpg.de

    2008-12-15

    The visualization and subsequent assessment of the inner human bone structures play an important role for better understanding the disease- or drug-induced changes of bone in the context of osteoporosis giving prospect for better predictions of bone strength and thus of the fracture risk of osteoporotic patients. In this work, we show how the complex trabecular bone structure can be visualized using {mu}CT imaging techniques at an isotropic resolution of 26 {mu}m. We quantify these structures by calculating global and local topological and morphological measures, namely Minkowski functionals (MFs) and utilizing the (an-)isotropic scaling index method (SIM) and by deriving suitable texture measures based on MF and SIM. Using a sample of 151 specimens taken from human vertebrae in vitro, we correlate the texture measures with the mechanically measured maximum compressive strength (MCS), which quantifies the strength of the bone probe, by using Pearson's correlation coefficient. The structure parameters derived from the local measures yield good correlations with the bone strength as measured in mechanical tests. We investigate whether the performance of the texture measures depends on the MCS value by selecting different subsamples according to MCS. Considering the whole sample the results for the newly defined parameters are better than those obtained for the standard global histomorphometric parameters except for bone volume/total volume (BV/TV). If a subsample consisting only of weak bones is analysed, the local structural analysis leads to similar and even better correlations with MCS as compared to BV/TV. Thus, the MF and SIM yield additional information about the stability of the bone especially in the case of weak bones, which corroborates the hypothesis that the bone structure (and not only its mineral mass) constitutes an important component of bone stability.

  15. Local Government Autonomy in Nigeria: Structural and Institutional ...

    African Journals Online (AJOL)

    The creation of more local governments was a major step by the then military administration to achieve this developmental stance and ensure popular participation. We conclude that local government in Nigeria has a crucial role to play in the development process provided there is result-oriented management with a ...

  16. Towards a Viable Local Government Structure in Nigeria:

    African Journals Online (AJOL)

    M.P._Ezekiel & D.O_Oriakhogba

    Obasanjo led Military Government. The reform brought about a single-tier uniform local government system nationwide. A further reform in 1988/1989 under General Ibrahim Babangida led Military government introduced the presidential system of administration to local government in a bid to create a. ♧. Mobolaji P. Ezekiel ...

  17. Average and local structure of selected metal deuterides

    Energy Technology Data Exchange (ETDEWEB)

    Soerby, Magnus H.

    2005-07-01

    at ambient and low temperatures. The Switendick criterion is always fulfilled. The local deuterium arrangement in the disordered cubic phase at 298 K resemble that of the ordered monoclinic low-temperature phase at 150 K for length scales up to 4 Aa or three coordination spheres. The nearest and next-nearest deuterium neighbours are statically displaced from their average positions to adapt interatomic distances in better agreement with those in the ordered structure. There are no significant differences in the short-range order around the onset temperature for ordering (252 K and 248 K) as compared to that observed at 298 K. (Author)

  18. Local Large-Scale Structure and the Assumption of Homogeneity

    Science.gov (United States)

    Keenan, Ryan C.; Barger, Amy J.; Cowie, Lennox L.

    2016-10-01

    Our recent estimates of galaxy counts and the luminosity density in the near-infrared (Keenan et al. 2010, 2012) indicated that the local universe may be under-dense on radial scales of several hundred megaparsecs. Such a large-scale local under-density could introduce significant biases in the measurement and interpretation of cosmological observables, such as the inferred effects of dark energy on the rate of expansion. In Keenan et al. (2013), we measured the K-band luminosity density as a function of distance from us to test for such a local under-density. We made this measurement over the redshift range 0.01 0.07, we measure an increasing luminosity density that by z ~ 0.1 rises to a value of ~ 1.5 times higher than that measured locally. This implies that the stellar mass density follows a similar trend. Assuming that the underlying dark matter distribution is traced by this luminous matter, this suggests that the local mass density may be lower than the global mass density of the universe at an amplitude and on a scale that is sufficient to introduce significant biases into the measurement of basic cosmological observables. At least one study has shown that an under-density of roughly this amplitude and scale could resolve the apparent tension between direct local measurements of the Hubble constant and those inferred by Planck team. Other theoretical studies have concluded that such an under-density could account for what looks like an accelerating expansion, even when no dark energy is present.

  19. Electron paramagnetic resonance parameters and local structure for ...

    Indian Academy of Sciences (India)

    (L=P, D, F, G) states via the spin–orbit coupling interactions, respectively. By analysing the above ZFSs, the local .... be described as occupying the approximate face centers of a simple cubic lattice with a cube edge half the value of the full ..... Interestingly, decline of ζ4f by about 10% is needed so as to decrease the ...

  20. Image Registration Based on Autocorrelation of Local Structure

    NARCIS (Netherlands)

    Li, Zhang; Mahapatra, Dwarikanath; Tielbeek, Jeroen A. W.; Stoker, Jaap; van Vliet, Lucas J.; Vos, Frans M.

    2016-01-01

    Registration of images in the presence of intra-image signal fluctuations is a challenging task. The definition of an appropriate objective function measuring the similarity between the images is crucial for accurate registration. This paper introduces an objective function that embeds local phase

  1. Localized surface plasmon enhanced cellular imaging using random metallic structures

    Science.gov (United States)

    Son, Taehwang; Lee, Wonju; Kim, Donghyun

    2017-02-01

    We have studied fluorescence cellular imaging with randomly distributed localized near-field induced by silver nano-islands. For the fabrication of nano-islands, a 10-nm silver thin film evaporated on a BK7 glass substrate with an adhesion layer of 2-nm thick chromium. Micrometer sized silver square pattern was defined using e-beam lithography and then the film was annealed at 200°C. Raw images were restored using electric field distribution produced on the surface of random nano-islands. Nano-islands were modeled from SEM images. 488-nm p-polarized light source was set to be incident at 60°. Simulation results show that localized electric fields were created among nano-islands and that their average size was found to be 135 nm. The feasibility was tested using conventional total internal reflection fluorescence microscopy while the angle of incidence was adjusted to maximize field enhancement. Mouse microphage cells were cultured on nano-islands, and actin filaments were selectively stained with FITC-conjugated phalloidin. Acquired images were deconvolved based on linear imaging theory, in which molecular distribution was sampled by randomly distributed localized near-field and blurred by point spread function of far-field optics. The optimum fluorophore distribution was probabilistically estimated by repetitively matching a raw image. The deconvolved images are estimated to have a resolution in the range of 100-150 nm largely determined by the size of localized near-fields. We also discuss and compare the results with images acquired with periodic nano-aperture arrays in various optical configurations to excite localized plasmonic fields and to produce super-resolved molecular images.

  2. Pulling the strings: an analysis of informal local power structures in three Dutch cities

    NARCIS (Netherlands)

    Boogers, Marcel

    2014-01-01

    The study of local power structures is highly relevant for a better understanding of local governance networks. Not only does it draw attention to the power dimension of local governance, it also brings to focus the individuals who play a role on and behind the scenes of governance networks. This

  3. Global/local methods research using a common structural analysis framework

    Science.gov (United States)

    Knight, Norman F., Jr.; Ransom, Jonathan B.; Griffin, O. H., Jr.; Thompson, Danniella M.

    1991-01-01

    Methodologies for global/local stress analysis are described including both two- and three-dimensional analysis methods. These methods are being developed within a common structural analysis framework. Representative structural analysis problems are presented to demonstrate the global/local methodologies being developed.

  4. Classification Model for Damage Localization in a Plate Structure

    Science.gov (United States)

    Janeliukstis, R.; Ruchevskis, S.; Chate, A.

    2018-01-01

    The present study is devoted to the problem of damage localization by means of data classification. The commercial ANSYS finite-elements program was used to make a model of a cantilevered composite plate equipped with numerous strain sensors. The plate was divided into zones, and, for data classification purposes, each of them housed several points to which a point mass of magnitude 5 and 10% of plate mass was applied. At each of these points, a numerical modal analysis was performed, from which the first few natural frequencies and strain readings were extracted. The strain data for every point were the input for a classification procedure involving k nearest neighbors and decision trees. The classification model was trained and optimized by finetuning the key parameters of both algorithms. Finally, two new query points were simulated and subjected to a classification in terms of assigning a label to one of the zones of the plate, thus localizing these points. Damage localization results were compared for both algorithms and were found to be in good agreement with the actual application positions of point load.

  5. Defect Structure of Localized Excitons in a WSe2 Monolayer

    KAUST Repository

    Zhang, Shuai

    2017-07-26

    The atomic and electronic structure of intrinsic defects in a WSe2 monolayer grown on graphite was revealed by low temperature scanning tunneling microscopy and spectroscopy. Instead of chalcogen vacancies that prevail in other transition metal dichalcogenide materials, intrinsic defects in WSe2 arise surprisingly from single tungsten vacancies, leading to the hole (p-type) doping. Furthermore, we found these defects to dominate the excitonic emission of the WSe2 monolayer at low temperature. Our work provided the first atomic-scale understanding of defect excitons and paved the way toward deciphering the defect structure of single quantum emitters previously discovered in the WSe2 monolayer.

  6. Local Reasoning about Programs that Alter Data Structures

    DEFF Research Database (Denmark)

    O'Hearn, Peter W.; Reynolds, John Clifton; Yang, Hongseok

    2001-01-01

    We describe an extension of Hoare's logic for reasoning about programs that alter data structures. We consider a low-level storage model based on a heap with associated lookup, update, allocation and deallocation operations, and unrestricted address arithmetic. The assertion language is based...

  7. Understanding Protein-Protein Interactions Using Local Structural Features

    DEFF Research Database (Denmark)

    Planas-Iglesias, Joan; Bonet, Jaume; García-García, Javier

    2013-01-01

    Protein-protein interactions (PPIs) play a relevant role among the different functions of a cell. Identifying the PPI network of a given organism (interactome) is useful to shed light on the key molecular mechanisms within a biological system. In this work, we show the role of structural features...... (loops and domains) to comprehend the molecular mechanisms of PPIs. A paradox in protein-protein binding is to explain how the unbound proteins of a binary complex recognize each other among a large population within a cell and how they find their best docking interface in a short timescale. We use...... interacting and non-interacting protein pairs to classify the structural features that sustain the binding (or non-binding) behavior. Our study indicates that not only the interacting region but also the rest of the protein surface are important for the interaction fate. The interpretation...

  8. Transcription inactivation through local refolding of the RNA polymerase structure

    Energy Technology Data Exchange (ETDEWEB)

    Belogurov, Georgiy A.; Vassylyeva, Marina N.; Sevostyanova, Anastasiya; Appleman, James R.; Xiang, Alan X.; Lira, Ricardo; Webber, Stephen E.; Klyuyev, Sergiy; Nudler, Evgeny; Artsimovitch, Irina; Vassylyev, Dmitry G.; (OSU); (UAB); (Anadys); (NYUSM)

    2009-02-12

    Structural studies of antibiotics not only provide a shortcut to medicine allowing for rational structure-based drug design, but may also capture snapshots of dynamic intermediates that become 'frozen' after inhibitor binding. Myxopyronin inhibits bacterial RNA polymerase (RNAP) by an unknown mechanism. Here we report the structure of dMyx - a desmethyl derivative of myxopyronin B - complexed with a Thermus thermophilus RNAP holoenzyme. The antibiotic binds to a pocket deep inside the RNAP clamp head domain, which interacts with the DNA template in the transcription bubble. Notably, binding of dMyx stabilizes refolding of the {beta}'-subunit switch-2 segment, resulting in a configuration that might indirectly compromise binding to, or directly clash with, the melted template DNA strand. Consistently, footprinting data show that the antibiotic binding does not prevent nucleation of the promoter DNA melting but instead blocks its propagation towards the active site. Myxopyronins are thus, to our knowledge, a first structurally characterized class of antibiotics that target formation of the pre-catalytic transcription initiation complex - the decisive step in gene expression control. Notably, mutations designed in switch-2 mimic the dMyx effects on promoter complexes in the absence of antibiotic. Overall, our results indicate a plausible mechanism of the dMyx action and a stepwise pathway of open complex formation in which core enzyme mediates the final stage of DNA melting near the transcription start site, and that switch-2 might act as a molecular checkpoint for DNA loading in response to regulatory signals or antibiotics. The universally conserved switch-2 may have the same role in all multisubunit RNAPs.

  9. Stability of localized nonequilibrium structural states in nickel under external loading

    Science.gov (United States)

    Korchuganov, A. V.; Zolnikov, K. P.; Kryzhevich, D. S.

    2017-12-01

    The formation and evolution of localized nonequilibrium states in nickel crystallite under a complex scheme of mechanical loading is studied in the framework of the molecular dynamics method. Local compressive and tensile loads were applied to the simulated specimens. It was revealed that nanobands of elastic deformation localization are generated and propagated in the specimens. The crystal lattice within nanobands was elastically curved. The influence of mechanical loading on the nanoband structure was studied. Estimates of elastic curvature of the crystal lattice for the formed localized nonequilibrium structural states were obtained. Thermal and mechanical stability of nanobands was investigated. The simulation results were compared with the available experimental data.

  10. Sea urchin vault structure, composition, and differential localization during development

    Directory of Open Access Journals (Sweden)

    Dickey-Sims Carrie

    2005-02-01

    Full Text Available Abstract Background Vaults are intriguing ribonucleoprotein assemblies with an unknown function that are conserved among higher eukaryotes. The Pacific coast sea urchin, Strongylocentrotus purpuratus, is an invertebrate model organism that is evolutionarily closer to humans than Drosophila and C. elegans, neither of which possesses vaults. Here we compare the structures of sea urchin and mammalian vaults and analyze the subcellular distribution of vaults during sea urchin embryogenesis. Results The sequence of the sea urchin major vault protein (MVP was assembled from expressed sequence tags and genome traces, and the predicted protein was found to have 64% identity and 81% similarity to rat MVP. Sea urchin MVP includes seven ~50 residue repeats in the N-terminal half of the protein and a predicted coiled coil domain in the C-terminus, as does rat MVP. A cryoelectron microscopy (cryoEM reconstruction of isolated sea urchin vaults reveals the assembly to have a barrel-shaped external structure that is nearly identical to the rat vault structure. Analysis of the molecular composition of the sea urchin vault indicates that it contains components that may be homologs of the mammalian vault RNA component (vRNA and protein components (VPARP and TEP1. The sea urchin vault appears to have additional protein components in the molecular weight range of 14–55 kDa that might correspond to molecular contents. Confocal experiments indicate a dramatic relocalization of MVP from the cytoplasm to the nucleus during sea urchin embryogenesis. Conclusions These results are suggestive of a role for the vault in delivering macromolecules to the nucleus during development.

  11. Local atomic structure and discommensurations in the charge density wave of CeTe3.

    Science.gov (United States)

    Kim, H J; Malliakas, C D; Tomić, A T; Tessmer, S H; Kanatzidis, M G; Billinge, S J L

    2006-06-09

    The local structure of in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.

  12. Local and average structure of Mn- and La-substituted BiFeO3

    Science.gov (United States)

    Jiang, Bo; Selbach, Sverre M.

    2017-06-01

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.

  13. PDBlocal: A web-based tool for local inspection of biological macromolecular 3D structures

    Directory of Open Access Journals (Sweden)

    Pan Wang

    2018-03-01

    Full Text Available Functional research on biological macromolecules must focus on specific local regions. PDBlocal is a web-based tool developed to overcome the limitations of traditional molecular visualization tools for three-dimensional (3D inspection of local regions. PDBlocal provides an intuitive and easy-to-manipulate web page interface and some new useful functions. It can keep local regions flashing, display sequence text that is dynamically consistent with the 3D structure in local appearance under multiple local manipulations, use two scenes to help users inspect the same local region with different statuses, list all historical manipulation statuses with a tree structure, allow users to annotate regions of interest, and save all historical statuses and other data to a web server for future research. PDBlocal has met expectations and shown satisfactory performance for both expert and novice users. This tool is available at http://labsystem.scuec.edu.cn/pdblocal/.

  14. Seismic data filtering using non-local means algorithm based on structure tensor

    Science.gov (United States)

    Yang, Shuai; Chen, Anqing; Chen, Hongde

    2017-05-01

    Non-Local means algorithm is a new and effective filtering method. It calculates weights of all similar neighborhoods' center points relative to filtering point within searching range by Gaussian weighted Euclidean distance between neighborhoods, then gets filtering point's value by weighted average to complete the filtering operation. In this paper, geometric distance of neighborhood's center point is taken into account in the distance measure calculation, making the non-local means algorithm more reasonable. Furthermore, in order to better protect the geometry structure information of seismic data, we introduce structure tensor that can depict the local geometrical features of seismic data. The coherence measure, which reflects image local contrast, is extracted from the structure tensor, is integrated into the non-local means algorithm to participate in the weight calculation, the control factor of geometry structure similarity is added to form a non-local means filtering algorithm based on structure tensor. The experimental results prove that the algorithm can effectively restrain noise, with strong anti-noise and amplitude preservation effect, improving PSNR and protecting structure information of seismic image. The method has been successfully applied in seismic data processing, indicating that it is a new and effective technique to conduct the structure-preserved filtering of seismic data.

  15. Seismic data filtering using non-local means algorithm based on structure tensor

    Directory of Open Access Journals (Sweden)

    Yang Shuai

    2017-05-01

    Full Text Available Non-Local means algorithm is a new and effective filtering method. It calculates weights of all similar neighborhoods’ center points relative to filtering point within searching range by Gaussian weighted Euclidean distance between neighborhoods, then gets filtering point’s value by weighted average to complete the filtering operation. In this paper, geometric distance of neighborhood’s center point is taken into account in the distance measure calculation, making the non-local means algorithm more reasonable. Furthermore, in order to better protect the geometry structure information of seismic data, we introduce structure tensor that can depict the local geometrical features of seismic data. The coherence measure, which reflects image local contrast, is extracted from the structure tensor, is integrated into the non-local means algorithm to participate in the weight calculation, the control factor of geometry structure similarity is added to form a non-local means filtering algorithm based on structure tensor. The experimental results prove that the algorithm can effectively restrain noise, with strong anti-noise and amplitude preservation effect, improving PSNR and protecting structure information of seismic image. The method has been successfully applied in seismic data processing, indicating that it is a new and effective technique to conduct the structure-preserved filtering of seismic data.

  16. Austromegabalanus psittacus barnacle shell structure and proteoglycan localization and functionality.

    Science.gov (United States)

    Fernández, M S; Arias, J I; Neira-Carrillo, A; Arias, J L

    2015-09-01

    Comparative analyzes of biomineralization models have being crucial for the understanding of the functional properties of biominerals and the elucidation of the processes through which biomacromolecules control the synthesis and structural organization of inorganic mineral-based biomaterials. Among calcium carbonate-containing bioceramics, egg, mollusk and echinoderm shells, and crustacean carapaces, have being fairly well characterized. However, Thoraceca barnacles, although being crustacea, showing molting cycle, build a quite stable and heavily mineralized shell that completely surround the animal, which is for life firmly cemented to the substratum. This makes barnacles an interesting model for studying processes of biomineralization. Here we studied the main microstructural and ultrastructural features of Austromegabalanus psittacus barnacle shell, characterize the occurrence of specific proteoglycans (keratan-, dermatan- and chondroitin-6-sulfate proteoglycans) in different soluble and insoluble organic fractions extracted from the shell, and tested them for their ability to crystallize calcium carbonate in vitro. Our results indicate that, in the barnacle model, proteoglycans are good candidates for the modification of the calcite crystal morphology, although the cooperative effect of some additional proteins in the shell could not be excluded. Copyright © 2015 Elsevier Inc. All rights reserved.

  17. Pose Estimation using Local Structure-Specific Shape and Appearance Context

    DEFF Research Database (Denmark)

    Buch, Anders Glent; Kraft, Dirk; Kämäräinen, Joni-Kristian

    2013-01-01

    We address the problem of estimating the alignment pose between two models using structure-specific local descriptors. Our descriptors are generated using a combination of 2D image data and 3D contextual shape data, resulting in a set of semi-local descriptors containing rich appearance and shape...

  18. Local Synthesis of Carbon Nanotubes in Silicon Microsystems: The Effect of Temperature Distribution on Growth Structure

    Science.gov (United States)

    Ta, Bao Q.; Haugen, Tormod B.; Hoivik, Nils; Halvorsen, Einar; Aasmundtveit, Knut E.

    2013-01-01

    Local synthesis and direct integration of carbon nanotubes (CNTs) into microsystems is a promising method for producing CNT-based devices in a single step, low-cost, and wafer-level, CMOS/MEMS-compatible process. In this report, the structure of the locally grown CNTs are studied by transmission imaging in scanning electron microscopy—S(T)EM. The characterization is performed directly on the microsystem, without any post-synthesis processing required. The results show an effect of temperature on the structure of CNTs: high temperature favors thin and regular structures, whereas low temperature favors “bamboo-like" structures. PMID:28811428

  19. Local Synthesis of Carbon Nanotubes in Silicon Microsystems: The Effect of Temperature Distribution on Growth Structure

    Directory of Open Access Journals (Sweden)

    Knut E. Aasmundtveit

    2013-07-01

    Full Text Available Local synthesis and direct integration of carbon nanotubes (CNTs into microsystems is a promising method for producing CNT-based devices in a single step, low-cost, and wafer-level, CMOS/MEMS-compatible process. In this report, the structure of the locally grown CNTs are studied by transmission imaging in scanning electron microscopy—S(TEM. The characterization is performed directly on the microsystem, without any post-synthesis processing required. The results show an effect of temperature on the structure of CNTs: high temperature favors thin and regular structures, whereas low temperature favors “bamboo-like” structures.

  20. Unique local structures of Ca, Ti, Fe and Zr in natural glasses formed by meteorite impact

    Science.gov (United States)

    Yoshiasa, Akira; Tobase, Tsubasa; Okube, Maki; Wang, Ling; Isobe, Hiroshi; Mashimo, Tsutomu; Graduate School of Science; Technology Collaboration; Materials; Structures Laboratory, Tokyo Institute of Technology Collaboration

    2015-06-01

    The local structures of cation in tektite from six strewn fields, impact-related glass, and non-impact-related glass were studied by Ca, Ti, Fe and Zr K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS). Shock compression also causes local structural changes of gest and minor elements as well as transition of host structures. How to be left a record is peculiar by each element. The XAFS measurements were performed at the beam lines BL-NW10A and BL-9C, KEK, Japan. The comparison of XANES spectra and bonding distances between crystalline reference minerals and natural glasses was done. Based on the different valence states of iron, the degrees of oxidation states were estimated. The local structures of Ca, Ti and Zr ions are useful probe for physical conditions and formation process of glasses. Tektites experienced high quenching rates and a reduced atmospheric environment when they were ejected into outer space. Other impact-related glass, which was remained close to the crater, experienced a more complicated environment. The local structural changes of cation in the impact-related glass are rich in a variety. Analysis of local structure is help to compare their formation process and distinguish them.

  1. Deciphering the shape and deformation of secondary structures through local conformation analysis

    Directory of Open Access Journals (Sweden)

    Camproux Anne-Claude

    2011-02-01

    Full Text Available Abstract Background Protein deformation has been extensively analysed through global methods based on RMSD, torsion angles and Principal Components Analysis calculations. Here we use a local approach, able to distinguish among the different backbone conformations within loops, α-helices and β-strands, to address the question of secondary structures' shape variation within proteins and deformation at interface upon complexation. Results Using a structural alphabet, we translated the 3 D structures of large sets of protein-protein complexes into sequences of structural letters. The shape of the secondary structures can be assessed by the structural letters that modeled them in the structural sequences. The distribution analysis of the structural letters in the three protein compartments (surface, core and interface reveals that secondary structures tend to adopt preferential conformations that differ among the compartments. The local description of secondary structures highlights that curved conformations are preferred on the surface while straight ones are preferred in the core. Interfaces display a mixture of local conformations either preferred in core or surface. The analysis of the structural letters transition occurring between protein-bound and unbound conformations shows that the deformation of secondary structure is tightly linked to the compartment preference of the local conformations. Conclusion The conformation of secondary structures can be further analysed and detailed thanks to a structural alphabet which allows a better description of protein surface, core and interface in terms of secondary structures' shape and deformation. Induced-fit modification tendencies described here should be valuable information to identify and characterize regions under strong structural constraints for functional reasons.

  2. ConvNet-Based Localization of Anatomical Structures in 3-D Medical Images.

    Science.gov (United States)

    de Vos, Bob D; Wolterink, Jelmer M; de Jong, Pim A; Leiner, Tim; Viergever, Max A; Isgum, Ivana

    2017-07-01

    Localization of anatomical structures is a prerequisite for many tasks in a medical image analysis. We propose a method for automatic localization of one or more anatomical structures in 3-D medical images through detection of their presence in 2-D image slices using a convolutional neural network (ConvNet). A single ConvNet is trained to detect the presence of the anatomical structure of interest in axial, coronal, and sagittal slices extracted from a 3-D image. To allow the ConvNet to analyze slices of different sizes, spatial pyramid pooling is applied. After detection, 3-D bounding boxes are created by combining the output of the ConvNet in all slices. In the experiments, 200 chest CT, 100 cardiac CT angiography (CTA), and 100 abdomen CT scans were used. The heart, ascending aorta, aortic arch, and descending aorta were localized in chest CT scans, the left cardiac ventricle in cardiac CTA scans, and the liver in abdomen CT scans. Localization was evaluated using the distances between automatically and manually defined reference bounding box centroids and walls. The best results were achieved in the localization of structures with clearly defined boundaries (e.g., aortic arch) and the worst when the structure boundary was not clearly visible (e.g., liver). The method was more robust and accurate in localization multiple structures.

  3. Workshop on Measurement Needs for Local-Structure Determination in Inorganic Materials.

    Science.gov (United States)

    Levin, Igor; Vanderah, Terrell

    2008-01-01

    The functional responses (e.g., dielectric, magnetic, catalytic, etc.) of many industrially-relevant materials are controlled by their local structure-a term that refers to the atomic arrangements on a scale ranging from atomic (sub-nanometer) to several nanometers. Thus, accurate knowledge of local structure is central to understanding the properties of nanostructured materials, thereby placing the problem of determining atomic positions on the nanoscale-the so-called "nanostructure problem"-at the center of modern materials development. Today, multiple experimental techniques exist for probing local atomic arrangements; nonetheless, finding accurate comprehensive, and robust structural solutions for the nanostructured materials still remains a formidable challenge because any one of these methods yields only a partial view of the local structure. The primary goal of this 2-day NIST-sponsored workshop was to bring together experts in the key experimental and theoretical areas relevant to local-structure determination to devise a strategy for the collaborative effort required to develop a comprehensive measurement solution on the local scale. The participants unanimously agreed that solving the nanostructure problem-an ultimate frontier in materials characterization-necessitates a coordinated interdisciplinary effort that transcends the existing capabilities of any single institution, including national laboratories, centers, and user facilities. The discussions converged on an institute dedicated to local structure determination as the most viable organizational platform for successfully addressing the nanostructure problem. The proposed "institute" would provide an intellectual infrastructure for local structure determination by (1) developing and maintaining relevant computer software integrated in an open-source global optimization framework (Fig. 2), (2) connecting industrial and academic users with experts in measurement techniques, (3) developing and

  4. Breakdown Localization Studies on the SwissFEL C-band Test Structures

    CERN Document Server

    Klavins, J; Le Pimpec, F; Locans, U; Shipman, N; Stingelin, L; Wohlmuther, M; Zennaro, R

    2013-01-01

    The SwissFEL main LINAC will consist of 104 Cband structures with a nominal accelerating gradient of 28MV/m. First power tests were performed on short constant impedance test-structures composed of eleven double-rounded cups. In order to localize breakdowns, two or three acoustic emission sensors were installed on the test-structures. In order to localize breakdowns we have analysed, in addition to acoustic measurements, the delay and phase of the RF power signals. Parasitic, acoustic noise emitted from the loads of the structure complicated the data interpretation and necessitated appropriate processing of the acoustic signals. The Goals of the experiments were to identify design and manufacturing errors of the structures. The results indicate that breakdowns occur mostly at the input power coupler, as also confirmed by vacuumevents at the same location. The experiments show that the LINAC test-structures fulfil the requirements in breakdown probability. Moreover developing a detection system based on acoust...

  5. Local likelihood estimation of complex tail dependence structures in high dimensions, applied to US precipitation extremes

    KAUST Repository

    Camilo, Daniela Castro

    2017-10-02

    In order to model the complex non-stationary dependence structure of precipitation extremes over the entire contiguous U.S., we propose a flexible local approach based on factor copula models. Our sub-asymptotic spatial modeling framework yields non-trivial tail dependence structures, with a weakening dependence strength as events become more extreme, a feature commonly observed with precipitation data but not accounted for in classical asymptotic extreme-value models. To estimate the local extremal behavior, we fit the proposed model in small regional neighborhoods to high threshold exceedances, under the assumption of local stationarity. This allows us to gain in flexibility, while making inference for such a large and complex dataset feasible. Adopting a local censored likelihood approach, inference is made on a fine spatial grid, and local estimation is performed taking advantage of distributed computing resources and of the embarrassingly parallel nature of this estimation procedure. The local model is efficiently fitted at all grid points, and uncertainty is measured using a block bootstrap procedure. An extensive simulation study shows that our approach is able to adequately capture complex, non-stationary dependencies, while our study of U.S. winter precipitation data reveals interesting differences in local tail structures over space, which has important implications on regional risk assessment of extreme precipitation events. A comparison between past and current data suggests that extremes in certain areas might be slightly wider in extent nowadays than during the first half of the twentieth century.

  6. Protein Classification Based on Analysis of Local Sequence-Structure Correspondence

    Energy Technology Data Exchange (ETDEWEB)

    Zemla, A T

    2006-02-13

    The goal of this project was to develop an algorithm to detect and calculate common structural motifs in compared structures, and define a set of numerical criteria to be used for fully automated motif based protein structure classification. The Protein Data Bank (PDB) contains more than 33,000 experimentally solved protein structures, and the Structural Classification of Proteins (SCOP) database, a manual classification of these structures, cannot keep pace with the rapid growth of the PDB. In our approach called STRALCP (STRucture Alignment based Clustering of Proteins), we generate detailed information about global and local similarities between given set of structures, identify similar fragments that are conserved within analyzed proteins, and use these conserved regions (detected structural motifs) to classify proteins.

  7. Local and average structure of Mn- and La-substituted BiFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Bo; Selbach, Sverre M., E-mail: selbach@ntnu.no

    2017-06-15

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO{sub 3} is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO{sub 3}. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions. - Graphical abstract: The experimental and simulated partial pair distribution functions (PDF) for BiFeO{sub 3}, BiFe{sub 0.875}Mn{sub 0.125}O{sub 3}, BiFe{sub 0.75}Mn{sub 0.25}O{sub 3} and Bi{sub 0.9}La{sub 0.1}FeO{sub 3}.

  8. INTERCONNECTIONS BETWEEN THE ECONOMIC STRUCTURE OF LOCAL SPENDING AND ECONOMIC GROWTH IN ROMANIA

    Directory of Open Access Journals (Sweden)

    Bilan Irina

    2015-07-01

    Full Text Available The issue of the effects of government interventions, explicitly of the taxes and expenditures of local public authorities, has generated substantial debate over time, and still gives rise to numerous controversies in theory and practice. Following the Keynesian path of reasoning, it is, at least theoretically, admitted that it is possible to influence the socio-economic activities and support for economic growth by means of government spending, but different other factors act towards enhancing or, on the contrary, impeding the achievement of the desired effects. From this point of view, the delimitation of competences and public expenditure responsibilities between different levels of government raises the issue of some possible different effects of the central and local governments’ interventions. As the macroeconomic stabilization function is usually associated with central governments, and the contribution of local governments often is of lesser importance, less attention is paid to the effectiveness of local administrative actions. In such a context, the paper aims to empirically evaluate the effects of the economic structure of local public expenditures on the local (territorial economic growth in Romania, over the period 2007 to 2012. The analysis has been conducted at the level of the 42 Romanian counties and on annual data collected from both international and national sources (World Bank, INSSE, The Romanian Ministry of Regional Development and Public Administration.The general method of estimation is the fixed effects estimation technique for panel data models. Our empirical approach is of absolute novelty, especially for Romania, where previous empirical studies have been focusing on the assessment of the overall effects of general government spending. The main findings of our study are that local public expenditures have a negative impact on territorial economic growth, confirmed both for overall expenditures and for various

  9. Mining Local Specialties for Travelers by Leveraging Structured and Unstructured Data

    Directory of Open Access Journals (Sweden)

    Kai Jiang

    2012-01-01

    Full Text Available Recently, many local review websites such as Yelp are emerging, which have greatly facilitated people's daily life such as cuisine hunting. However they failed to meet travelers' demands because travelers are more concerned about a city's local specialties instead of the city's high ranked restaurants. To solve this problem, this paper presents a local specialty mining algorithm, which utilizes both the structured data from local review websites and the unstructured user-generated content (UGC from community Q&A websites, and travelogues. The proposed algorithm extracts dish names from local review data to build a document for each city, and applies tfidf weighting algorithm on these documents to rank dishes. Dish-city correlations are calculated from unstructured UGC, and combined with the tfidf ranking score to discover local specialties. Finally, duplicates in the local specialty mining results are merged. A recommendation service is built to present local specialties to travelers, along with specialties' associated restaurants, Q&A threads, and travelogues. Experiments on a large data set show that the proposed algorithm can achieve a good performance, and compared to using local review data alone, leveraging unstructured UGC can boost the mining performance a lot, especially in large cities.

  10. In situ TEM studies of local transport and structure in nanoscale multilayer films.

    Science.gov (United States)

    Chiaramonti, A N; Thompson, L J; Egelhoff, W F; Kabius, B C; Petford-Long, A K

    2008-11-01

    This paper describes a novel technique for studying structure-transport correlations in nanoscale multilayer thin films. Here, local current-voltage characteristics from simplified magnetic tunnel junctions are measured in situ on cross-sectional transmission electron microscopy (TEM) samples and correlated directly with TEM images of the microstructure at the tunneling site. It is found that local variations in barrier properties can be detected by a point probe method, and that the tunneling barrier height and width can be extracted.

  11. Brain networks, structural realism, and local approaches to the scientific realism debate.

    Science.gov (United States)

    Yan, Karen; Hricko, Jonathon

    2017-08-01

    We examine recent work in cognitive neuroscience that investigates brain networks. Brain networks are characterized by the ways in which brain regions are functionally and anatomically connected to one another. Cognitive neuroscientists use various noninvasive techniques (e.g., fMRI) to investigate these networks. They represent them formally as graphs. And they use various graph theoretic techniques to analyze them further. We distinguish between knowledge of the graph theoretic structure of such networks (structural knowledge) and knowledge of what instantiates that structure (nonstructural knowledge). And we argue that this work provides structural knowledge of brain networks. We explore the significance of this conclusion for the scientific realism debate. We argue that our conclusion should not be understood as an instance of a global structural realist claim regarding the structure of the unobservable part of the world, but instead, as a local structural realist attitude towards brain networks in particular. And we argue that various local approaches to the realism debate, i.e., approaches that restrict realist commitments to particular theories and/or entities, are problematic insofar as they don't allow for the possibility of such a local structural realist attitude. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Modeling of local scour depth downstream hydraulic structures in trapezoidal channel using GEP and ANNs

    Directory of Open Access Journals (Sweden)

    Yasser Abdallah Mohamed Moussa

    2013-12-01

    Full Text Available Local scour downstream stilling basins is so complex that it makes it difficult to establish a general empirical model to provide accurate estimation for scour depth. Lack estimation of local scour can endanger to stability of hydraulic structure and can cause risk of failure. This paper presents Gene expression program (GEP and artificial neural network (ANNs, to simulate local scour depth downstream hydraulic structures. The experimental data is collected from the literature for the scour depth downstream the stilling basin through a trapezoidal channel. Using GEP approach gives satisfactory results compared with artificial neural network (ANN and multiple linear regression (MLR modeling in predicting the scour depth downstream of hydraulic structures.

  13. Structural-change localization and monitoring through a perturbation-based inverse problem.

    Science.gov (United States)

    Roux, Philippe; Guéguen, Philippe; Baillet, Laurent; Hamze, Alaa

    2014-11-01

    Structural-change detection and characterization, or structural-health monitoring, is generally based on modal analysis, for detection, localization, and quantification of changes in structure. Classical methods combine both variations in frequencies and mode shapes, which require accurate and spatially distributed measurements. In this study, the detection and localization of a local perturbation are assessed by analysis of frequency changes (in the fundamental mode and overtones) that are combined with a perturbation-based linear inverse method and a deconvolution process. This perturbation method is applied first to a bending beam with the change considered as a local perturbation of the Young's modulus, using a one-dimensional finite-element model for modal analysis. Localization is successful, even for extended and multiple changes. In a second step, the method is numerically tested under ambient-noise vibration from the beam support with local changes that are shifted step by step along the beam. The frequency values are revealed using the random decrement technique that is applied to the time-evolving vibrations recorded by one sensor at the free extremity of the beam. Finally, the inversion method is experimentally demonstrated at the laboratory scale with data recorded at the free end of a Plexiglas beam attached to a metallic support.

  14. A Multiatlas Approach for Segmenting Subcortical Brain Structures using Local Patch Distance

    Directory of Open Access Journals (Sweden)

    Neela RAMAMOORTHI

    2015-12-01

    Full Text Available In the diagnosis and treatment of various diseases, often segmenting the brain structures from MRI data is the key step. Since there are larger variations in the anatomical structures of the brain, segmentation becomes a crucial process. Using only the intensity information is not enough to segment structures since two or more structures may share the same tissues. Recently, the use of multiple pre-labeled images called atlases or templates are used in the process of segmentation of image data. Both single atlas and multiple atlases can be used. However, using multiple atlases in the segmentation process proves a dominant method in segmenting brain structures with challenging and overlapping structures. In this paper, we propose two multi atlas segmentation methods: Local Patch Distance Segmentation (LPDS and Weighted Local Patch Distance Segmentation (WLPDS. These methods use local patch distance in the label fusion step. LPDS uses local patch distance to find the best patch match for label propagation. WLPDS uses local patch distance to calculate local weights. The brain MRI images from the MICCAI 2012 segmentation challenge are chosen for experimental purposes. These datasets are publicly available and can be downloaded from MIDAS. The proposed techniques are compared with existing fusion methods such as majority voting and weighted majority voting using the similarity measures such as Dice overlap (DC, Jaccard coefficient (JC and Kappa statistics. For 20 test data sets, LPDS gives DICE=0.95±0.05, JACCARD=0.91±0.04 and KAPPA=0.94±0.07. WLPDS gives DICE=0.98±0.02, JACCARD=0.92±0.03 and KAPPA=0.95±0.04.

  15. Correlation between locally deformed structure and oxide film properties in austenitic stainless steel irradiated with neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Chimi, Yasuhiro, E-mail: chimi.yasuhiro@jaea.go.jp [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Kitsunai, Yuji [Nippon Nuclear Fuel Development, 2163 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki 311-1313 (Japan); Kasahara, Shigeki [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Chatani, Kazuhiro; Koshiishi, Masato [Nippon Nuclear Fuel Development, 2163 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki 311-1313 (Japan); Nishiyama, Yutaka [Japan Atomic Energy Agency (JAEA), 2-4 Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan)

    2016-07-15

    To elucidate the mechanism of irradiation-assisted stress corrosion cracking (IASCC) in high-temperature water for neutron-irradiated austenitic stainless steels (SSs), the locally deformed structures, the oxide films formed on the deformed areas, and their correlation were investigated. Tensile specimens made of irradiated 316L SSs were strained 0.1%–2% at room temperature or at 563 K, and the surface structures and crystal misorientation among grains were evaluated. The strained specimens were immersed in high-temperature water, and the microstructures of the oxide films on the locally deformed areas were observed. The appearance of visible step structures on the specimens' surface depended on the neutron dose and the applied strain. The surface oxides were observed to be prone to increase in thickness around grain boundaries (GBs) with increasing neutron dose and increasing local strain at the GBs. No penetrative oxidation was observed along GBs or along surface steps. - Highlights: • Visible step structures depend on the neutron dose and the applied strain. • Local strain at grain boundaries was accumulated with the neutron dose. • Oxide thickness increases with neutron dose and local strain at grain boundaries. • No penetrative oxidation was observed along grain boundaries or surface steps.

  16. Acoustic emission localization on ship hull structures using a deep learning approach

    DEFF Research Database (Denmark)

    Georgoulas, George; Kappatos, Vassilios; Nikolakopoulos, George

    2016-01-01

    In this paper, deep belief networks were used for localization of acoustic emission events on ship hull structures. In order to avoid complex and time consuming implementations, the proposed approach uses a simple feature extraction module, which significantly reduces the extremely high dimension......In this paper, deep belief networks were used for localization of acoustic emission events on ship hull structures. In order to avoid complex and time consuming implementations, the proposed approach uses a simple feature extraction module, which significantly reduces the extremely high...

  17. Local Atomic Structure of Semiconductor Alloys Using Pair Distribution Function Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Billinge, S.J.L.; Thorpe, M.F.

    2002-06-24

    We have been taking advantage of recent experimental developments, which involve utilizing diffraction data from x-rays or neutrons out to very large wave-vectors, to obtain a detailed structural characterization of semiconductor alloys. This approach allows an accurate Pair Distribution Function (PDF) to be obtained to 20A and beyond and reveals the local structure of the alloy directly. These data can be modeled explicitly to learn about local correlations and short-range order in materials. We are combining theory, modeling and experiments to study a range of materials from semiconductors to thermoelectrics and proton conductors.

  18. Coordination Analysis Using Global Structural Constraints and Alignment-based Local Features

    Science.gov (United States)

    Hara, Kazuo; Shimbo, Masashi; Matsumoto, Yuji

    We propose a hybrid approach to coordinate structure analysis that combines a simple grammar to ensure consistent global structure of coordinations in a sentence, and features based on sequence alignment to capture local symmetry of conjuncts. The weight of the alignment-based features, which in turn determines the score of coordinate structures, is optimized by perceptron training on a given corpus. A bottom-up chart parsing algorithm efficiently finds the best scoring structure, taking both nested or non-overlapping flat coordinations into account. We demonstrate that our approach outperforms existing parsers in coordination scope detection on the Genia corpus.

  19. Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

    Science.gov (United States)

    Zhang, F. X.; Zhao, Shijun; Jin, Ke; Xue, H.; Velisa, G.; Bei, H.; Huang, R.; Ko, J. Y. P.; Pagan, D. C.; Neuefeind, J. C.; Weber, W. J.; Zhang, Yanwen

    2017-05-01

    Multielement solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from the local structural characteristics. The local structure of a NiCoCr solid solution alloy is measured with x-ray or neutron total scattering and extended x-ray absorption fine structure (EXAFS) techniques. The atomic pair distribution function analysis does not exhibit an observable structural distortion. However, an EXAFS analysis suggests that the Cr atoms are favorably bonded with Ni and Co in the solid solution alloys. This short-range order (SRO) may make an important contribution to the low values of the electrical and thermal conductivities of the Cr-alloyed solid solutions. In addition, an EXAFS analysis of Ni ion irradiated samples reveals that the degree of SRO in NiCoCr alloys is enhanced after irradiation.

  20. Local structure in ZrW2O8 from neutron total scattering

    Science.gov (United States)

    Tucker, Matthew G.; Keen, David A.; Evans, John S. O.; Dove, Martin T.

    2007-08-01

    The local structure of the low-temperature ordered phase of the negative thermal expansion (NTE) material ZrW2O8 has been investigated by reverse Monte Carlo (RMC) modelling of neutron total scattering data. The local structure is described using the instantaneous distributions of bond lengths and angles obtained from the RMC-derived models which are simultaneously consistent with the average crystal structure. These results, together with their variation with temperature, show that the majority of the mean squared displacements of the atoms are accounted for by rigid unit mode (RUM) motions of the ZrO6 octahedra and WO4 tetrahedra. The detailed structural description presented in this paper further supports the dominance of the basic RUM interpretation of NTE in ZrW2O8 where rigid ZrO6 and WO4 polyhedra are joined by flexible Zr-O-W linkages.

  1. Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, L H; Lou, H B; Wang, X D; Debela, T T; Cao, Q P; Zhang, D X; Wang, S Y; Wang, C Z; Jiang, J Z

    2014-04-01

    The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  2. Detecting Local Residue Environment Similarity for Recognizing Near-Native Structure Models

    Science.gov (United States)

    Kim, Hyungrae; Kihara, Daisuke

    2014-01-01

    We developed a new representation of local amino acid environments in protein structures called the Side-chain Depth Environment (SDE). An SDE defines a local structural environment of a residue considering the coordinates and the depth of amino acids that locate in the vicinity of the side-chain centroid of the residue. SDEs are general enough that similar SDEs are found in protein structures with globally different folds. Using SDEs, we developed a procedure called PRESCO (Protein Residue Environment SCOre) for selecting native or near-native models from a pool of computational models. The procedure searches similar residue environments observed in a query model against a set of representative native protein structures to quantify how native-like SDEs in the model are. When benchmarked on commonly used computational model datasets, our PRESCO compared favorably with the other existing scoring functions in selecting native and near-native models. PMID:25132526

  3. Prevention of brittle fracture of steel structures by controlling the local stress and strain fields

    Directory of Open Access Journals (Sweden)

    Moyseychik Evgeniy Alekseevich

    Full Text Available In the article the author offers a classification of the methods to increase the cold resistance of steel structural shapes with a focus on the regulation of local fields of internal stresses and strains to prevent brittle fracture of steel structures. The need of a computer thermography is highlighted not only for visualization of temperature fields on the surface, but also to control the fields of residual stresses and strains in a controlled element.

  4. Local structure of Al-and Fe-based metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Kyungsoo [University of Virginia, Department of Physics, Charlottesville, VA 22904 (United States); Louca, Despina [University of Virginia, Department of Physics, Charlottesville, VA 22904 (United States); Poon, S J [University of Virginia, Department of Physics, Charlottesville, VA 22904 (United States); Shiflet, G J [University of Virginia, Department of Materials Science and Engineering, Charlottesville, VA 22904 (United States)

    2003-08-13

    The local atomic structures of Fe-and Al-based amorphous metallic glasses have been investigated by the pair density function (PDF) analysis of neutron diffraction data. In the Fe system, chemical substitution at the transition metal ion sites induces significant changes of the local structural environment. With the substitution of Nb for Zr and Mn for Fe, a pre-peak in the structure function is observed that is indicative of short-range chemical rearrangement. This is accompanied by a reduction of volume in real space and a contraction of interatomic pair correlations that could in turn be associated with stronger glass forming ability. In the Al-Ni-Nd system, using the isotope difference neutron PDF technique, the local environments for Ni and Nd were separately determined. The Ni ions tend to form strong interactions with Al with significant shortening of the bond length and weaker interactions with Nd. The local Ni-Al cluster is almost spherical with a coordination close to twelve nearest neighbours, while Ni-Ni chemical short-range ordering is quite strong as indicated by the change of amplitude of the pre-peak with the isotopic substitution. On the other hand, the local Nd environment is more disordered with two separate Nd-Al coordination environments and weaker clustering.

  5. LOCnet and LOCtarget: sub-cellular localization for structural genomics targets

    Science.gov (United States)

    Nair, Rajesh; Rost, Burkhard

    2004-01-01

    LOCtarget is a web server and database that predicts and annotates sub-cellular localization for structural genomics targets; LOCnet is one of the methods used in LOCtarget that can predict sub-cellular localization for all eukaryotic and prokaryotic proteins. Targets are taken from the central registration database for structural genomics, namely, TargetDB. LOCtarget predicts localization through a combination of four different methods: known nuclear localization signals (PredictNLS), homology-based transfer of experimental annotations (LOChom), inference through automatic text analysis of SWISS-PROT keywords (LOCkey) and de novo prediction through a system of neural networks (LOCnet). Additionally, we report predictions from SignalP. The final prediction is based on the method with the highest confidence. The web server can be used to predict sub-cellular localization of proteins from their amino acid sequence. The LOCtarget database currently contains localization predictions for all eukaryotic proteins from TargetDB and is updated every week. The server is available at http://www.rostlab.org/services/LOCtarget/. PMID:15215440

  6. Local Structural Analysis of Half-Metallic Ferromagnet CrO2

    Science.gov (United States)

    Kodama, Katsuaki; Ikeda, Kazutaka; Isobe, Masahiko; Takeda, Hikaru; Itoh, Masayuki; Ueda, Yutaka; Shamoto, Shin-ichi; Otomo, Toshiya

    2016-09-01

    We have performed powder neutron diffraction on the half-metallic ferromagnet CrO2 which has a rutile-type crystal structure with a tetragonal unit cell. Although the powder diffraction pattern can be fitted by the reported crystal structure including a single Cr site, the atomic pair distribution function (PDF) can be fitted by the structural model with an orthorhombic unit cell including two kinds of inequivalent Cr sites. The difference between the valences of the two inequivalent Cr sites, δ of Cr+4±δ, estimated from the local structural parameters is about 0.06. The shapes of the two CrO6 octahedra are slightly different, suggesting the short-range orbital ordering of the Cr 3d orbitals. The lattice distortion and the improvement of the fitting to the PDF obtained using the locally distorted structure model are apparent in the region below about 10 Å, suggesting that the domain size or correlation length of the locally distorted structure is about 10 Å, roughly corresponding to the size of two unit cells.

  7. Local Structure and Dynamics of Hydration Water in Intrinsically Disordered Proteins.

    Science.gov (United States)

    Rani, Pooja; Biswas, Parbati

    2015-08-27

    Hydration water around protein surface plays a key role in structure, folding and dynamics of proteins. Intrinsically disordered proteins lack secondary and/or tertiary structure in their native state. Thus, characterizing the local structure and dynamics of hydration water around disordered proteins is challenging for both experimentalists and theoreticians. The local structure, orientation and dynamics of hydration water in the vicinity of intrinsically disordered proteins is investigated through molecular dynamics simulations. The analysis of the hydration capacity reveals that the disordered proteins have much larger binding capacity for hydration water than globular proteins. The surface and radial distribution of water molecules around the disordered proteins depict a similar trend. The local structure of the hydration water evaluated in terms of the tetrahedral order parameter, shows a higher order among the water molecules surrounding disordered proteins/regions. The residence time of water molecules clearly exhibits slow dynamics of hydration water around the surface of disordered proteins/regions as compared to globular proteins. The orientation of water molecules is found to be distinctly different for ordered and disordered proteins/regions. This analysis provides a better insight into the structure and dynamics of hydration water around disordered proteins.

  8. Amplified vibrational circular dichroism as a probe of local biomolecular structure.

    Science.gov (United States)

    Domingos, Sérgio R; Huerta-Viga, Adriana; Baij, Lambert; Amirjalayer, Saeed; Dunnebier, Dorien A E; Walters, Annemarie J C; Finger, Markus; Nafie, Laurence A; de Bruin, Bas; Buma, Wybren Jan; Woutersen, Sander

    2014-03-05

    We show that the VCD signal intensities of amino acids and oligopeptides can be enhanced by up to 2 orders of magnitude by coupling them to a paramagnetic metal ion. If the redox state of the metal ion is changed from paramagnetic to diamagnetic the VCD amplification vanishes completely. From this observation and from complementary quantum-chemical calculations we conclude that the observed VCD amplification finds its origin in vibronic coupling with low-lying electronic states. We find that the enhancement factor is strongly mode dependent and that it is determined by the distance between the oscillator and the paramagnetic metal ion. This localized character of the VCD amplification provides a unique tool to specifically probe the local structure surrounding a paramagnetic ion and to zoom in on such local structure within larger biomolecular systems.

  9. Exciton Localization in Extended {\\pi}-electron Systems: Comparison of Linear and Cyclic Structures

    CERN Document Server

    Thiessen, Alexander; Jester, Stefan-S; Aggarwal, A Vikas; Idelson, Alissa; Bange, Sebastian; Vogelsang, Jan; Höger, Sigurd; Lupton, John M

    2015-01-01

    We employ five {\\pi}-conjugated model materials of different molecular shape --- oligomers and cyclic structures --- to investigate the extent of exciton self-trapping and torsional motion of the molecular framework following optical excitation. Our studies combine steady-state and transient fluorescence spectroscopy in the ensemble with measurements of polarization anisotropy on single molecules, supported by Monte Carlo simulations. The dimer exhibits a significant spectral red-shift within $\\sim$ 100 ps after photoexcitation which is attributed to torsional relaxation. This relaxation mechanism is inhibited in the structurally rigid macrocyclic analogue. However, both systems show a high degree of exciton localization but with very different consequences: while in the macrocycle the exciton localizes randomly on different parts of the ring, scrambling polarization memory, in the dimer, localization leads to a deterministic exciton position with luminescence characteristics of a dipole. Monte Carlo simulati...

  10. Study of rare earth local moment magnetism and strongly correlated phenomena in various crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Tai [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    Benefiting from unique properties of 4f electrons, rare earth based compounds are known for offering a versatile playground for condensed matter physics research as well as industrial applications. This thesis focuses on three specific examples that further explore the rare earth local moment magnetism and strongly correlated phenomena in various crystal structures.

  11. Influence of static habitat attributes on local and regional Rocky intertidal community structure

    Science.gov (United States)

    Konar, B.; Iken, K.; Coletti, H.; Monson, Daniel H.; Weitzman, Ben P.

    2016-01-01

    Rocky intertidal communities are structured by local environmental drivers, which can be dynamic, fluctuating on various temporal scales, or static and not greatly varying across years. We examined the role of six static drivers (distance to freshwater, tidewater glacial presence, wave exposure, fetch, beach slope, and substrate composition) on intertidal community structure across the northern Gulf of Alaska. We hypothesized that community structure is less similar at the local scale compared with the regional scale, coinciding with static drivers being less similar on smaller than larger scales. We also hypothesized that static attributes mainly drive local biological community structure. For this, we surveyed five to six sites in each of the six regions in the mid and low intertidal strata. Across regions, static attributes were not consistently different and only small clusters of sites had similar attributes. Additionally, intertidal communities were less similar on the site compared with the region level. These results suggest that these biological communities are not strongly influenced by the local static attributes measured in this study. An alternative explanation is that static attributes among our regions are not different enough to influence the biological communities. This lack of evidence for a strong static driver may be a result of our site selection, which targeted rocky sheltered communities. This suggests that this habitat may be ideal to examine the influence of dynamic drivers. We recommend that future analyses of dynamic attributes may best be performed after analyses have demonstrated that sites do not differ in static attributes.

  12. Local electronic structure of Fe(001) surfaces studied by scanning tunneling spectroscopy

    NARCIS (Netherlands)

    Bischoff, M.M.J.; Yamada, T.K.; Fang, C.M.; Groot, R.A. de; Kempen, H. van

    2003-01-01

    Scanning tunneling spectroscopy is used to study the local electronic structure of Fe(001) whiskers. The influence of a voltage dependent background on the apparent peak energies in the dI/dV curves is discussed. A relation between this background and the apparent barrier height is established. The

  13. Local spatial structure in pondweed populations : the role of propagule size

    NARCIS (Netherlands)

    Hangelbroek, Helen Harriët

    2004-01-01

    In this thesis I focused on the study of factors that determine local spatial structure of an aquatic clonal plant (Potamogeton pectinatus) at both the population and community level. Particular attention was paid to the adaptive value of propagule size under various ecological conditions, with

  14. Residual dent in locally loaded foam core sandwich structures – Analysis and use for NDI

    NARCIS (Netherlands)

    Koysin, V.; Shipsha, Andrey

    2008-01-01

    This paper addresses the residual denting in the face sheet and corresponding core damage in a locally loaded flat sandwich structure with foam core. The problem is analytically considered in the context of elastic bending of the face sheet accompanied by non-linear deformation of the crushed foam

  15. Spaghetti Politics: Local Electoral Systems and Alliance Structure in Italy, 1984-2001

    Science.gov (United States)

    Parigi, Paolo; Bearman, Peter S.

    2008-01-01

    This article describes the impact of the Italian electoral reforms of 1993 on the structure of local political alliances. The reform, which moved Italy from a purely proportional representation system to a mixed, largely majoritarian system, was designed to increase transparency, reduce corruption, limit the number of political parties, and create…

  16. Local structural investigation of SmFeAsO1 - xFx high temperature superconductors

    Science.gov (United States)

    Malavasi, Lorenzo; Artioli, Gianluca A.; Kim, Hyunjeong; Maroni, Beatrice; Joseph, Boby; Ren, Yang; Proffen, Thomas; Billinge, Simon J. L.

    2011-07-01

    A strong revitalization of the field of high temperature superconductivity (HTSC) has been induced recently by the discovery of TC around 26 K in F-doped LaFeAsO iron pnictides. Starting from this discovery, a huge amount of experimental data have been accumulated. This important corpus of results will allow the development of suitable theoretical models aimed at describing the basic electronic structure properties and nature of superconducting states in these fascinating new systems. A close correlation between structural features and physical properties of the normal and superconducting states has already been demonstrated in the current literature. Advanced theoretical models are also based on the close correlation with structural properties and in particular with the Fe-As tetrahedral array. As for other complex materials, a deeper understanding of their structure-properties correlation requires a full knowledge of the atomic arrangement within the structure. Here we report an investigation of the local structure in the SmFeAsO1 - xFx system carried out by means of x-ray total scattering measurements and pair distribution function analysis. The results presented indicate that the local structure of these HTSC significantly differs from the average structure determined by means of traditional diffraction techniques, in particular the distribution of Fe-As bond lengths. In addition, a model for describing the observed discrepancies is presented.

  17. Local structural investigation of SmFeAsO₁₋xF(x) high temperature superconductors.

    Science.gov (United States)

    Malavasi, Lorenzo; Artioli, Gianluca A; Kim, Hyunjeong; Maroni, Beatrice; Joseph, Boby; Ren, Yang; Proffen, Thomas; Billinge, Simon J L

    2011-07-13

    A strong revitalization of the field of high temperature superconductivity (HTSC) has been induced recently by the discovery of T(C) around 26 K in F-doped LaFeAsO iron pnictides. Starting from this discovery, a huge amount of experimental data have been accumulated. This important corpus of results will allow the development of suitable theoretical models aimed at describing the basic electronic structure properties and nature of superconducting states in these fascinating new systems. A close correlation between structural features and physical properties of the normal and superconducting states has already been demonstrated in the current literature. Advanced theoretical models are also based on the close correlation with structural properties and in particular with the Fe-As tetrahedral array. As for other complex materials, a deeper understanding of their structure-properties correlation requires a full knowledge of the atomic arrangement within the structure. Here we report an investigation of the local structure in the SmFeAsO₁₋ xF(x) system carried out by means of x-ray total scattering measurements and pair distribution function analysis. The results presented indicate that the local structure of these HTSC significantly differs from the average structure determined by means of traditional diffraction techniques, in particular the distribution of Fe-As bond lengths. In addition, a model for describing the observed discrepancies is presented.

  18. Ultrafast Raman Spectroscopy as a Probe of Local Structure and Dynamics in Photoexcited Conjugated Materials.

    Science.gov (United States)

    Bragg, Arthur E; Yu, Wenjian; Zhou, Jiawang; Magnanelli, Timothy

    2016-10-06

    An important challenge in the study of conjugated organic materials is to relate the properties of transient states underlying macroscopic material responses directly with intra- and intermolecular structure. We discuss recent efforts using the vibrational sensitivity of time-resolved Raman spectroscopy to interrogate structural properties of transient excited and charge-separated states in conjugated oligomers and polymers in order to relate them to molecular conformations and material microstructures. We focus on recent work with excited-state Raman spectroscopy that provides mode-specific signatures of structural relaxation in oligo- and polythiophenes, examination of structural heterogeneities associated with exciton localization in different structural motifs of amorphous polymers, and interrogation of correlations between microstructure and properties and dynamics of charge-separated states within polymer aggregates. On the basis of these recent efforts, we provide an outlook for further applying this method to elucidate relationships between the structure and properties of transient states and the photoresponses of conjugated materials.

  19. Machine-learning approach for local classification of crystalline structures in multiphase systems

    Science.gov (United States)

    Dietz, C.; Kretz, T.; Thoma, M. H.

    2017-07-01

    Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.

  20. Local kernel nonparametric discriminant analysis for adaptive extraction of complex structures

    Science.gov (United States)

    Li, Quanbao; Wei, Fajie; Zhou, Shenghan

    2017-05-01

    The linear discriminant analysis (LDA) is one of popular means for linear feature extraction. It usually performs well when the global data structure is consistent with the local data structure. Other frequently-used approaches of feature extraction usually require linear, independence, or large sample condition. However, in real world applications, these assumptions are not always satisfied or cannot be tested. In this paper, we introduce an adaptive method, local kernel nonparametric discriminant analysis (LKNDA), which integrates conventional discriminant analysis with nonparametric statistics. LKNDA is adept in identifying both complex nonlinear structures and the ad hoc rule. Six simulation cases demonstrate that LKNDA have both parametric and nonparametric algorithm advantages and higher classification accuracy. Quartic unilateral kernel function may provide better robustness of prediction than other functions. LKNDA gives an alternative solution for discriminant cases of complex nonlinear feature extraction or unknown feature extraction. At last, the application of LKNDA in the complex feature extraction of financial market activities is proposed.

  1. Strong influence of regional species pools on continent-wide structuring of local communities

    DEFF Research Database (Denmark)

    Lessard, Jean-Philippe; Borregaard, Michael Krabbe; Fordyce, James A.

    2012-01-01

    pool, to examine the interplay between broad-scale evolutionary and fine-scale ecological processes. Finally, a renewed interest in the influence of species source pools on communities has shown that the definition of the source pool influences interpretations of patterns of community structure. We use...... a continent-wide dataset of local ant communities and implement ecologically explicit source pool definitions to examine the relative importance of regional species pools and local interactions for shaping community structure. Then we assess which factors underlie systematic variation in the structure...... of communities along climatic gradients. We find that the average phylogenetic relatedness of species in ant communities decreases from tropical to temperate regions, but the strength of this relationship depends on the level of ecological realism in the definition of source pools. We conclude that the evolution...

  2. LOCUSTRA: accurate prediction of local protein structure using a two-layer support vector machine approach.

    Science.gov (United States)

    Zimmermann, Olav; Hansmann, Ulrich H E

    2008-09-01

    Constraint generation for 3d structure prediction and structure-based database searches benefit from fine-grained prediction of local structure. In this work, we present LOCUSTRA, a novel scheme for the multiclass prediction of local structure that uses two layers of support vector machines (SVM). Using a 16-letter structural alphabet from de Brevern et al. (Proteins: Struct., Funct., Bioinf. 2000, 41, 271-287), we assess its prediction ability for an independent test set of 222 proteins and compare our method to three-class secondary structure prediction and direct prediction of dihedral angles. The prediction accuracy is Q16=61.0% for the 16 classes of the structural alphabet and Q3=79.2% for a simple mapping to the three secondary classes helix, sheet, and coil. We achieve a mean phi(psi) error of 24.74 degrees (38.35 degrees) and a median RMSDA (root-mean-square deviation of the (dihedral) angles) per protein chain of 52.1 degrees. These results compare favorably with related approaches. The LOCUSTRA web server is freely available to researchers at http://www.fz-juelich.de/nic/cbb/service/service.php.

  3. Functional annotation by identification of local surface similarities: a novel tool for structural genomics

    Directory of Open Access Journals (Sweden)

    Zanzoni Andreas

    2005-08-01

    Full Text Available Abstract Background Protein function is often dependent on subsets of solvent-exposed residues that may exist in a similar three-dimensional configuration in non homologous proteins thus having different order and/or spacing in the sequence. Hence, functional annotation by means of sequence or fold similarity is not adequate for such cases. Results We describe a method for the function-related annotation of protein structures by means of the detection of local structural similarity with a library of annotated functional sites. An automatic procedure was used to annotate the function of local surface regions. Next, we employed a sequence-independent algorithm to compare exhaustively these functional patches with a larger collection of protein surface cavities. After tuning and validating the algorithm on a dataset of well annotated structures, we applied it to a list of protein structures that are classified as being of unknown function in the Protein Data Bank. By this strategy, we were able to provide functional clues to proteins that do not show any significant sequence or global structural similarity with proteins in the current databases. Conclusion This method is able to spot structural similarities associated to function-related similarities, independently on sequence or fold resemblance, therefore is a valuable tool for the functional analysis of uncharacterized proteins. Results are available at http://cbm.bio.uniroma2.it/surface/structuralGenomics.html

  4. Emergence of coherent localized structures in shear deformations of temperature dependent fluids

    KAUST Repository

    Katsaounis, Theodoros

    2016-11-25

    Shear localization occurs in various instances of material instability in solid mechanics and is typically associated with Hadamard-instability for an underlying model. While Hadamard instability indicates the catastrophic growth of oscillations around a mean state, it does not by itself explain the formation of coherent structures typically observed in localization. The latter is a nonlinear effect and its analysis is the main objective of this article. We consider a model that captures the main mechanisms observed in high strain-rate deformation of metals, and describes shear motions of temperature dependent non-Newtonian fluids. For a special dependence of the viscosity on the temperature, we carry out a linearized stability analysis around a base state of uniform shearing solutions, and quantitatively assess the effects of the various mechanisms affecting the problem: thermal softening, momentum diffusion and thermal diffusion. Then, we turn to the nonlinear model, and construct localized states - in the form of similarity solutions - that emerge as coherent structures in the localization process. This justifies a scenario for localization that is proposed on the basis of asymptotic analysis in \\\\cite{KT}.

  5. Emergence of Coherent Localized Structures in Shear Deformations of Temperature Dependent Fluids

    Science.gov (United States)

    Katsaounis, Theodoros; Olivier, Julien; Tzavaras, Athanasios E.

    2017-04-01

    Shear localization occurs in various instances of material instability in solid mechanics and is typically associated with Hadamard-instability for an underlying model. While Hadamard instability indicates the catastrophic growth of oscillations around a mean state, it does not by itself explain the formation of coherent structures typically observed in localization. The latter is a nonlinear effect and its analysis is the main objective of this article. We consider a model that captures the main mechanisms observed in high strain-rate deformation of metals, and describes shear motions of temperature dependent non-Newtonian fluids. For a special dependence of the viscosity on the temperature, we carry out a linearized stability analysis around a base state of uniform shearing solutions, and quantitatively assess the effects of the various mechanisms affecting the problem: thermal softening, momentum diffusion and thermal diffusion. Then, we turn to the nonlinear model, and construct localized states—in the form of similarity solutions—that emerge as coherent structures in the localization process. This justifies a scenario for localization that is proposed on the basis of asymptotic analysis in Katsaounis and Tzavaras (SIAM J Appl Math 69:1618-1643, 2009).

  6. Cultural order and participatory local development: structure for the occupational therapist practice

    Directory of Open Access Journals (Sweden)

    Ricardo Lopes Correia

    2016-01-01

    Full Text Available The Cultural Order is understood as the expression of a game of interdependencies determinations between local and global social groups, pairs identified by productions, values and behavior that consciously guide the life projects and the expansion of a collective freedom. Based on a Social Science research and with theoretical mark of Nobert Elias and Amartya Sen, this article aims to present a theoretical-practice structure of the approach in participatory local development- PLD to the occupational therapist surround by the construction of collective life projects, in order to operationalize in the practice of the community question, understood as the strengths that singularize the participation. We discuss the use of the PLD approach to the occupational therapist in a flexible structure, aiming to guarantee its domain, the Human Occupation, and the set of interventions, technologies, sustained in the management of the activities of daily living. The approach in participatory local development presents itself as an important structural outline to the community actions, and it is the occupational therapist role to be an articulator of the Local Cultural Order dimensions, to deal with the target population their work processes of continuity in collective life projects and expansion of freedom.

  7. Visualizing cell structure and function with point-localization superresolution imaging.

    Science.gov (United States)

    Sengupta, Prabuddha; Van Engelenburg, Schuyler; Lippincott-Schwartz, Jennifer

    2012-12-11

    Fundamental to the success of cell and developmental biology is the ability to tease apart molecular organization in cells and tissues by localizing specific proteins with respect to one another in a native cellular context. However, many key cellular structures (from mitochondrial cristae to nuclear pores) lie below the diffraction limit of visible light, precluding analysis of their organization by conventional approaches. Point-localization superresolution microscopy techniques, such as PALM and STORM, are poised to resolve, with unprecedented clarity, the organizational principles of macromolecular complexes within cells, thus leading to deeper insights into cellular function in both health and disease. Copyright © 2012 Elsevier Inc. All rights reserved.

  8. Locally self-consistent Green’s function approach to the electronic structure problem

    DEFF Research Database (Denmark)

    Abrikosov, I.A.; Simak, S.I.; Johansson, B.

    1997-01-01

    The locally self-consistent Green's function (LSGF) method is an order-N method for calculation of the electronic structure of systems with an arbitrary distribution of atoms of different kinds on an underlying crystal lattice. For each atom Dyson's equation is used to solve the electronic multiple...... scattering problem in a local interaction zone (LIZ) embedded in an effective medium judiciously chosen to minimize the size of the, LIZ. The excellent real-space convergence of the LSGF calculations and the reliability of its results are demonstrated for a broad spectrum of metallic alloys with different...

  9. Average and local structure, debye temperature, and structural rigidity in some oxide compounds related to phosphor hosts.

    Science.gov (United States)

    Denault, Kristin A; Brgoch, Jakoah; Kloss, Simon D; Gaultois, Michael W; Siewenie, Joan; Page, Katharine; Seshadri, Ram

    2015-04-08

    The average and local structure of the oxides Ba2SiO4, BaAl2O4, SrAl2O4, and Y2SiO5 are examined to evaluate crystal rigidity in light of recent studies suggesting that highly connected and rigid structures yield the best phosphor hosts. Simultaneous momentum-space refinements of synchrotron X-ray and neutron scattering yield accurate average crystal structures, with reliable atomic displacement parameters. The Debye temperature ΘD, which has proven to be a useful proxy for structural rigidity, is extracted from the experimental atomic displacement parameters and compared with predictions from density functional theory calculations and experimental low-temperature heat capacity measurements. The role of static disorder on the measured displacement parameters, and the resulting Debye temperatures, are also analyzed using pair distribution function of total neutron scattering, as refined over varying distance ranges of the pair distribution function. The interplay between optimal bonding in the structure, structural rigidity, and correlated motion in these structures is examined, and the different contributions are delineated.

  10. Local structure, composition, and crystallization mechanism of a model two-phase “composite nanoglass”

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, Soma; Shibata, Tomohiro [CSRRI-IIT, MRCAT, Sector 10, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kelly, S. D. [EXAFS Analysis, Bolingbrook, Illinois 60440 (United States); Balasubramanian, M. [Sector 20 XOR, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Srinivasan, S. G.; Du, Jincheng; Banerjee, Rajarshi [Department of Materials Science and Engineering, University of North Texas, Denton, Texas 76203-5017 (United States); Ayyub, Pushan, E-mail: pushan@tifr.res.in [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Mumbai 400005 (India)

    2016-02-14

    We report a detailed study of the local composition and structure of a model, bi-phasic nanoglass with nominal stoichiometry Cu{sub 55}Nb{sub 45}. Three dimensional atom probe data suggest a nanoscale-phase-separated glassy structure having well defined Cu-rich and Nb-rich regions with a characteristic length scale of ≈3 nm. However, extended x-ray absorption fine structure analysis indicates subtle differences in the local environments of Cu and Nb. While the Cu atoms displayed a strong tendency to cluster and negligible structural order beyond the first coordination shell, the Nb atoms had a larger fraction of unlike neighbors (higher chemical order) and a distinctly better-ordered structural environment (higher topological order). This provides the first experimental indication that metallic glass formation may occur due to frustration arising from the competition between chemical ordering and clustering. These observations are complemented by classical as well as ab initio molecular dynamics simulations. Our study indicates that these nanoscale phase-separated glasses are quite distinct from the single phase nanoglasses (studied by Gleiter and others) in the following three respects: (i) they contain at least two structurally and compositionally distinct, nanodispersed, glassy phases, (ii) these phases are separated by comparatively sharp inter-phase boundaries, and (iii) thermally induced crystallization occurs via a complex, multi-step mechanism. Such materials, therefore, appear to constitute a new class of disordered systems that may be called a composite nanoglass.

  11. Local structure, composition, and crystallization mechanism of a model two-phase “composite nanoglass”

    Energy Technology Data Exchange (ETDEWEB)

    Chattopadhyay, Soma; Kelly, S. D.; Shibata, Tomohiro; Balasubramanian, M.; Srinivasan, S. G.; Du, Jincheng; Banerjee, Rajarshi; Ayyub, Pushan

    2016-02-14

    We report a detailed study of the local composition and structure of a model, bi-phasic nanoglass with nominal stoichiometry Cu55Nb45. Three dimensional atom probe data suggest a nanoscale-phase-separated glassy structure having well defined Cu-rich and Nb-rich regions with a characteristic length scale of ≈3 nm. However, extended x-ray absorption fine structure analysis indicates subtle differences in the local environments of Cu and Nb. While the Cu atoms displayed a strong tendency to cluster and negligible structural order beyond the first coordination shell, the Nb atoms had a larger fraction of unlike neighbors (higher chemical order) and a distinctly better-ordered structural environment (higher topological order). This provides the first experimental indication that metallic glass formation may occur due to frustration arising from the competition between chemical ordering and clustering. These observations are complemented by classical as well as ab initio molecular dynamics simulations. Our study indicates that these nanoscale phase-separated glasses are quite distinct from the single phase nanoglasses (studied by Gleiter and others) in the following three respects: (i) they contain at least two structurally and compositionally distinct, nanodispersed, glassy phases, (ii) these phases are separated by comparatively sharp inter-phase boundaries, and (iii) thermally induced crystallization occurs via a complex, multi-step mechanism. Such materials, therefore, appear to constitute a new class of disordered systems that may be called a composite nanoglass.

  12. Multi-cavity locally resonant structure with the low frequency and broad band-gaps

    Directory of Open Access Journals (Sweden)

    Jiulong Jiang

    2016-11-01

    Full Text Available A multi-cavity periodic structure with the characteristic of local resonance was proposed in the paper. The low frequency band-gap structure was comparatively analyzed by the finite element method (FEM and electric circuit analogy (ECA. Low frequency band-gap can be opened through the dual influence of the coupling’s resonance in the cavity and the interaction among the couplings between structures. Finally, the influence of the structural factors on the band-gap was analyzed. The results show that the structure, which is divided into three parts equally, has a broader effective band-gap below the frequency of 200 Hz. It is also proved that reducing the interval between unit structures can increase the intensity of the couplings among the structures. And in this way, the width of band-gap would be expanded significantly. Through the parameters adjustment, the structure enjoys a satisfied sound insulation effect below the frequency of 500Hz. In the area of low frequency noise reduction, the structure has a lot of potential applications.

  13. Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs)

    Science.gov (United States)

    2013-01-01

    Background The prediction of biochemical function from the 3D structure of a protein has proved to be much more difficult than was originally foreseen. A reliable method to test the likelihood of putative annotations and to predict function from structure would add tremendous value to structural genomics data. We report on a new method, Structurally Aligned Local Sites of Activity (SALSA), for the prediction of biochemical function based on a local structural match at the predicted catalytic or binding site. Results Implementation of the SALSA method is described. For the structural genomics protein PY01515 (PDB ID 2aqw) from Plasmodium yoelii, it is shown that the putative annotation, Orotidine 5'-monophosphate decarboxylase (OMPDC), is most likely correct. SALSA analysis of YP_001304206.1 (PDB ID 3h3l), a putative sugar hydrolase from Parabacteroides distasonis, shows that its active site does not bear close resemblance to any previously characterized member of its superfamily, the Concanavalin A-like lectins/glucanases. It is noted that three residues in the active site of the thermophilic beta-1,4-xylanase from Nonomuraea flexuosa (PDB ID 1m4w), Y78, E87, and E176, overlap with POOL-predicted residues of similar type, Y168, D153, and E232, in YP_001304206.1. The substrate recognition regions of the two proteins are rather different, suggesting that YP_001304206.1 is a new functional type within the superfamily. A structural genomics protein from Mycobacterium avium (PDB ID 3q1t) has been reported to be an enoyl-CoA hydratase (ECH), but SALSA analysis shows a poor match between the predicted residues for the SG protein and those of known ECHs. A better local structural match is obtained with Anabaena beta-diketone hydrolase (ABDH), a known β-diketone hydrolase from Cyanobacterium anabaena (PDB ID 2j5s). This suggests that the reported ECH function of the SG protein is incorrect and that it is more likely a β-diketone hydrolase. Conclusions A local site match

  14. Numerical modeling of local scour around hydraulic structure in sandy beds by dynamic mesh method

    Science.gov (United States)

    Fan, Fei; Liang, Bingchen; Bai, Yuchuan; Zhu, Zhixia; Zhu, Yanjun

    2017-10-01

    Local scour, a non-negligible factor in hydraulic engineering, endangers the safety of hydraulic structures. In this work, a numerical model for simulating local scour was constructed, based on the open source code computational fluid dynamics model OpenFOAM. We consider both the bedload and suspended load sediment transport in the scour model and adopt the dynamic mesh method to simulate the evolution of the bed elevation. We use the finite area method to project data between the three-dimensional flow model and the two-dimensional (2D) scour model. We also improved the 2D sand slide method and added it to the scour model to correct the bed bathymetry when the bed slope angle exceeds the angle of repose. Moreover, to validate our scour model, we conducted and compared the results of three experiments with those of the developed model. The validation results show that our developed model can reliably simulate local scour.

  15. Local chromatin structure of heterochromatin regulates repeated DNA stability, nucleolus structure, and genome integrity

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Jamy C. [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Heterochromatin constitutes a significant portion of the genome in higher eukaryotes; approximately 30% in Drosophila and human. Heterochromatin contains a high repeat DNA content and a low density of protein-encoding genes. In contrast, euchromatin is composed mostly of unique sequences and contains the majority of single-copy genes. Genetic and cytological studies demonstrated that heterochromatin exhibits regulatory roles in chromosome organization, centromere function and telomere protection. As an epigenetically regulated structure, heterochromatin formation is not defined by any DNA sequence consensus. Heterochromatin is characterized by its association with nucleosomes containing methylated-lysine 9 of histone H3 (H3K9me), heterochromatin protein 1 (HP1) that binds H3K9me, and Su(var)3-9, which methylates H3K9 and binds HP1. Heterochromatin formation and functions are influenced by HP1, Su(var)3-9, and the RNA interference (RNAi) pathway. My thesis project investigates how heterochromatin formation and function impact nuclear architecture, repeated DNA organization, and genome stability in Drosophila melanogaster. H3K9me-based chromatin reduces extrachromosomal DNA formation; most likely by restricting the access of repair machineries to repeated DNAs. Reducing extrachromosomal ribosomal DNA stabilizes rDNA repeats and the nucleolus structure. H3K9me-based chromatin also inhibits DNA damage in heterochromatin. Cells with compromised heterochromatin structure, due to Su(var)3-9 or dcr-2 (a component of the RNAi pathway) mutations, display severe DNA damage in heterochromatin compared to wild type. In these mutant cells, accumulated DNA damage leads to chromosomal defects such as translocations, defective DNA repair response, and activation of the G2-M DNA repair and mitotic checkpoints that ensure cellular and animal viability. My thesis research suggests that DNA replication, repair, and recombination mechanisms in heterochromatin differ from those in

  16. Local mechanical properties of white matter structures in the human brain

    Science.gov (United States)

    Johnson, Curtis L; McGarry, Matthew DJ; Gharibans, Armen A; Weaver, John B; Paulsen, Keith D; Wang, Huan; Olivero, William C; Sutton, Bradley P; Georgiadis, John G

    2013-01-01

    The noninvasive measurement of the mechanical properties of brain tissue using magnetic resonance elastography (MRE) has emerged as a promising method for investigating neurological disorders. To date, brain MRE investigations have been limited to reporting global mechanical properties, though quantification of the stiffness of specific structures in the white matter architecture may be valuable in assessing the localized effects of disease. This paper reports the mechanical properties of the corpus callosum and corona radiata measured in healthy volunteers using MRE and atlas-based segmentation. Both structures were found to be significantly stiffer than overall white matter, with the corpus callosum exhibiting greater stiffness and less viscous damping than the corona radiata. Reliability of both local and global measures was assessed through repeated experiments, and the coefficient of variation for each measure was less than 10%. Mechanical properties within the corpus callosum and corona radiata demonstrated correlations with measures from diffusion tensor imaging pertaining to axonal microstructure. PMID:23644001

  17. Structural Health Monitoring of Wind Turbine Blades: Acoustic Source Localization Using Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Omar Mabrok Bouzid

    2015-01-01

    Full Text Available Structural health monitoring (SHM is important for reducing the maintenance and operation cost of safety-critical components and systems in offshore wind turbines. This paper proposes an in situ wireless SHM system based on an acoustic emission (AE technique. By using this technique a number of challenges are introduced due to high sampling rate requirements, limitations in the communication bandwidth, memory space, and power resources. To overcome these challenges, this paper focused on two elements: (1 the use of an in situ wireless SHM technique in conjunction with the utilization of low sampling rates; (2 localization of acoustic sources which could emulate impact damage or audible cracks caused by different objects, such as tools, bird strikes, or strong hail, all of which represent abrupt AE events and could affect the structural health of a monitored wind turbine blade. The localization process is performed using features extracted from aliased AE signals based on a developed constraint localization model. To validate the performance of these elements, the proposed system was tested by testing the localization of the emulated AE sources acquired in the field.

  18. Impact localization on composite structures using time difference and MUSIC approach

    Science.gov (United States)

    Zhong, Yongteng; Xiang, Jiawei

    2017-05-01

    1-D uniform linear array (ULA) has the shortcoming of the half-plane mirror effect, which does not allow discriminating between a target placed above the array and a target placed below the array. This paper presents time difference (TD) and multiple signal classification (MUSIC) based omni-directional impact localization on a large stiffened composite structure using improved linear array, which is able to perform omni-directional 360° localization. This array contains 2M+3 PZT sensors, where 2M+1 PZT sensors are arranged as a uniform linear array, and the other two PZT sensors are placed above and below the array. Firstly, the arrival times of impact signals observed by the other two sensors are determined using the wavelet transform. Compared with each other, the direction range of impact source can be decided in general, 0°to 180° or 180°to 360°. And then, two dimensional multiple signal classification (2D-MUSIC) based spatial spectrum formula using the uniform linear array is applied for impact localization by the general direction range. When the arrival times of impact signals observed by upper PZT is equal to that of lower PZT, the direction can be located in x axis (0°or 180°). And time difference based MUSIC method is present to locate impact position. To verify the proposed approach, the proposed approach is applied to a composite structure. The localization results are in good agreement with the actual impact occurring positions.

  19. Temperature Dependent Local Atomic Structure of LuFe2O4

    Science.gov (United States)

    Liu, S.; Zhang, H.; Ghose, S.; Cheong, S.-W.; Emge, T.; Chen, Y.-S.; Tyson, T.

    The LuFe2O4 system has be studied intensively as a novel material with charge ordered driven ferroelectricity. However, the existence and origin of electric polarization and it coupling to the magnetic structure are open questions still to be addressed. Distinctly differing experiments yield different results. In this work, structural measurements on multiple length scales have been conducted over a broad range of temperatures. We have studied the correlation between the structural distortion and the electronic/magnetic properties in single-crystalline LuFe2O4 by using X-ray diffraction (XRD), temperature and orientation dependent Raman spectroscopy, temperature dependent X-ray pair distribution function (PDF) measurements and DFT modeling. The nature of the observed local atomic and electronic structural changes will be discussed and compared with previous work. This work is supported by DOE Grant DE-FG02-07ER46402.

  20. Localized structures and front propagation in the Lengyel-Epstein model

    DEFF Research Database (Denmark)

    Jensen, O.; Pannbacker, Viggo Ole; Mosekilde, Erik

    1994-01-01

    Pattern selection, localized structure formation, and front propagation are analyzed within the framework of a model for the chlorine dioxide-iodine-malonic acid reaction that represents a key to understanding recently obtained Turing structures. This model is distinguished from previously studied......, simple reaction-diffusion models by producing a strongly subcritical transition to stripes. The wave number for the modes of maximum linear gain is calculated and compared with the dominant wave number for the finally selected, stationary structures grown from the homogeneous steady state or developed...... behind a traveling front. The speed of propagation for a front between the homogeneous steady state and a one-dimensional (ID) Turing structure is obtained. This velocity shows a characteristic change in behavior at the crossover between the subcritical and supercritical regimes for the Turing...

  1. The local structure and optical absorption characteristic investigation on Fe doped TiO2 nanoparticles

    CERN Document Server

    Zhao, Tianxing; Huang, Junheng; He, Jinfu; Liu, Qinghua; Pan, Zhiyun; Wu, Ziyu

    2014-01-01

    The local structures and optical absorption characteristic of Fe doped TiO2 nanoparticles synthesized by the sol-gel method were characterized by X-ray Diffraction (XRD), X-ray absorption fine structure spectroscopy (XAFS) and UV-Vis absorption spectroscopy (UV-Vis). XRD patterns show that all Fe-doped TiO2 samples have the characteristic anatase structure. Accurate Fe and Ti K-edge EXAFS analysis further reveal that all Fe atoms replace Ti atoms in the anatase lattice. The analysis of UV-Vis data shows a red shift to the visible range. According to the above results, we claim that substitutional Fe atoms lead to the formation of structural defects and new intermediate energy levels appear, narrowing the band gap and extending the optical absorption edge towards the visible region.

  2. Stabilization of enhanced field emission of the film DLC structure in conditions of field localization

    Science.gov (United States)

    Aban'shin, Nikolay P.; Akchurin, Garif G.; Avetisyan, Yuri A.; Loginov, Alexander P.; Mosiyash, Denis S.; Yakunin, Alexander N.

    2017-04-01

    Multiple factors and their impact on the stability of DLC field emission structures are discussed in the present work. Planar multi-electrode structures, in which the formation of zones of localization the electrostatic field of a certain topology performed, are examined. Estimates carried out demonstrated the existence of an effective solution for creating reliable and durable vacuum devices for electronics and photonics. Conclusions are confirmed by the results of experimental studies. Samples of devices showed an average current density of field emission 0.30-0.35 A/cm2.

  3. Efficient Model Order Reduction of Structural Dynamic Systems with Local Nonlinearities under Periodic Motion

    Directory of Open Access Journals (Sweden)

    M. Mohammadali

    2014-01-01

    Full Text Available In many nonlinear structural systems, compared with the local regions with induced nonlinear effects, the main portions of the structures are linear. An exact condensation technique based on the harmonic balance method (HBM in conjunction with the modal expansion technique is employed to convert the motion equations of such a system to a set of nonlinear algebraic equations that are considerably small and adequately accurate to determine periodic responses. To demonstrate the capability of the suggested method, few case studies consisting of discrete systems with weak and essential nonlinearities are studied, and the results are compared to other methodologies results.

  4. Probing the local, electronic and magnetic structure of matter under extreme conditions of temperature and pressure

    DEFF Research Database (Denmark)

    Torchio, R.; Boccato, S.; Cerantola, V.

    2016-01-01

    In this paper we present recent achievements in the field of investigation of the local, electronic and magnetic structure of the matter under extreme conditions of pressure and temperature. These results were obtained thanks to the coupling of a compact laser heating system to the energy......-dispersive XAS technique available on the ID24 beamline at the ESRF synchrotron. The examples chosen concern the melting and the liquid structure of 3d metals and alloys under high pressures (HPs) and the observation of temperature-induced spin crossover in FeCO3 at HP....

  5. Direct Visualization of Local Electromagnetic Field Structures by Scanning Transmission Electron Microscopy.

    Science.gov (United States)

    Shibata, Naoya; Findlay, Scott D; Matsumoto, Takao; Kohno, Yuji; Seki, Takehito; Sánchez-Santolino, Gabriel; Ikuhara, Yuichi

    2017-07-18

    The functional properties of materials and devices are critically determined by the electromagnetic field structures formed inside them, especially at nanointerface and surface regions, because such structures are strongly associated with the dynamics of electrons, holes and ions. To understand the fundamental origin of many exotic properties in modern materials and devices, it is essential to directly characterize local electromagnetic field structures at such defect regions, even down to atomic dimensions. In recent years, rapid progress in the development of high-speed area detectors for aberration-corrected scanning transmission electron microscopy (STEM) with sub-angstrom spatial resolution has opened new possibilities to directly image such electromagnetic field structures at very high-resolution. In this Account, we give an overview of our recent development of differential phase contrast (DPC) microscopy for aberration-corrected STEM and its application to many materials problems. In recent years, we have developed segmented-type STEM detectors which divide the detector plane into 16 segments and enable simultaneous imaging of 16 STEM images which are sensitive to the positions and angles of transmitted/scattered electrons on the detector plane. These detectors also have atomic-resolution imaging capability. Using these segmented-type STEM detectors, we show DPC STEM imaging to be a very powerful tool for directly imaging local electromagnetic field structures in materials and devices in real space. For example, DPC STEM can clearly visualize the local electric field variation due to the abrupt potential change across a p-n junction in a GaAs semiconductor, which cannot be observed by normal in-focus bright-field or annular type dark-field STEM imaging modes. DPC STEM is also very effective for imaging magnetic field structures in magnetic materials, such as magnetic domains and skyrmions. Moreover, real-time imaging of electromagnetic field structures can

  6. Local deformation method for measuring element tension in space deployable structures

    Directory of Open Access Journals (Sweden)

    Belov Sergey

    2017-01-01

    Full Text Available The article describes the local deformation method to determine the tension of cord and thin membrane elements in space deployable structure as antenna reflector. Possible measuring instrument model, analytical and numerical solutions and experimental results are presented. The boundary effects on measurement results of metallic mesh reflector surface tension are estimated. The study case depicting non-uniform reflector surface tension is considered.

  7. Structures et dynamiques spatiales des villes portuaires: du local au mondial

    Directory of Open Access Journals (Sweden)

    César Ducruet

    2005-04-01

    Full Text Available More than other cities, port cities must constantly adapt to a rapidly changing international trade environment. This adaptation is spurred by their ties to both maritime and land networks and by specific spatio-functional relations between cities and ports, from the local to the global level. For comparative purposes, this paper proposes a new way to interpret the basic structures and trends underlying these complex, and sometimes contradictory, ties.

  8. Localization to Chromosomes of Structural Genes for the Major Protease Inhibitors of Barley Grains

    DEFF Research Database (Denmark)

    Hejgaard, Jørn; Bjørn, S.E.; Nielsen, Gunnar Gissel

    1984-01-01

    Wheat-barley chromosome addition lines were compared by isoelectric focusing of protein extracts to identify chromosomes carrying loci for the major immunochemically distinct protease inhibitors of barley grains. Structural genes for the following inhibitors were localized: an inhibitor of both...... endogenous α-amylase 2 and subtilisin (ASI) on chromosome 2, two chymotrypsin/subtilisin inhibitors (CI-1 and CI-2) on chromosome 5 (long arm) and the major trypsin inhibitor (TI-1) on chromosome 3....

  9. Revisiting local structural changes in GeO2 glass at high pressure.

    Science.gov (United States)

    Dong, Juncai; Yao, HuRong; Guo, Zhiying; Jia, Quanjie; Wang, Yan; An, Pengfei; Gong, Yu; Liang, Yaxiang; Chen, Dongliang

    2017-09-18

    Despite the great importance in fundamental and industrial fields, understanding structural changes for pressure-induced polyamorphism in network-forming glasses remains a formidable challenge. Here, we revisited the local structural transformations in GeO2 glass up to 54 GPa using x-ray absorption fine structure (XAFS) spectroscopy via a combination diamond anvil cell and polycapillary half-lens. Three polyamorphic transitions can be clearly identified by XAFS structure refinement. First, a progressive increase of the nearest Ge-O distance and bond disorder to a maximum at ~5-16 GPa, in the same pressure region of previously observed tetrahedral-octahedral transformation. Second, a markedly decrease of the nearest Ge-O distance at ~16-22.6 GPa but a slight increase at ~22.6-32.7 GPa, with a concomitant decrease of bond disorder. This stage can be related to a second-order-like transition from less dense to dense octahedral glass. Third, another decrease in the nearest Ge-O distance at ~32.7-41.4 GPa but a slight increase up to 54 GPa, synchronized with a gradual increase of bond disorder. This stage provides strong evidence for ultrahigh-pressure polyamorphism with coordination number >6. Furthermore, cooperative modification is observed in more distant shells. Those results provide a unified local structural picture for elucidating the polyamorphic transitions and densification process in GeO2 glass. © 2017 IOP Publishing Ltd.

  10. Near-Field Sound Localization Based on the Small Profile Monaural Structure.

    Science.gov (United States)

    Kim, Youngwoong; Kim, Keonwook

    2015-11-13

    The acoustic wave around a sound source in the near-field area presents unconventional properties in the temporal, spectral, and spatial domains due to the propagation mechanism. This paper investigates a near-field sound localizer in a small profile structure with a single microphone. The asymmetric structure around the microphone provides a distinctive spectral variation that can be recognized by the dedicated algorithm for directional localization. The physical structure consists of ten pipes of different lengths in a vertical fashion and rectangular wings positioned between the pipes in radial directions. The sound from an individual direction travels through the nearest open pipe, which generates the particular fundamental frequency according to the acoustic resonance. The Cepstral parameter is modified to evaluate the fundamental frequency. Once the system estimates the fundamental frequency of the received signal, the length of arrival and angle of arrival (AoA) are derived by the designed model. From an azimuthal distance of 3-15 cm from the outer body of the pipes, the extensive acoustic experiments with a 3D-printed structure show that the direct and side directions deliver average hit rates of 89% and 73%, respectively. The closer positions to the system demonstrate higher accuracy, and the overall hit rate performance is 78% up to 15 cm away from the structure body.

  11. Near-Field Sound Localization Based on the Small Profile Monaural Structure

    Directory of Open Access Journals (Sweden)

    Youngwoong Kim

    2015-11-01

    Full Text Available The acoustic wave around a sound source in the near-field area presents unconventional properties in the temporal, spectral, and spatial domains due to the propagation mechanism. This paper investigates a near-field sound localizer in a small profile structure with a single microphone. The asymmetric structure around the microphone provides a distinctive spectral variation that can be recognized by the dedicated algorithm for directional localization. The physical structure consists of ten pipes of different lengths in a vertical fashion and rectangular wings positioned between the pipes in radial directions. The sound from an individual direction travels through the nearest open pipe, which generates the particular fundamental frequency according to the acoustic resonance. The Cepstral parameter is modified to evaluate the fundamental frequency. Once the system estimates the fundamental frequency of the received signal, the length of arrival and angle of arrival (AoA are derived by the designed model. From an azimuthal distance of 3–15 cm from the outer body of the pipes, the extensive acoustic experiments with a 3D-printed structure show that the direct and side directions deliver average hit rates of 89% and 73%, respectively. The closer positions to the system demonstrate higher accuracy, and the overall hit rate performance is 78% up to 15 cm away from the structure body.

  12. Imaging chromatin nanostructure with binding-activated localization microscopy based on DNA structure fluctuations.

    Science.gov (United States)

    Szczurek, Aleksander; Klewes, Ludger; Xing, Jun; Gourram, Amine; Birk, Udo; Knecht, Hans; Dobrucki, Jurek W; Mai, Sabine; Cremer, Christoph

    2017-05-05

    Advanced light microscopy is an important tool for nanostructure analysis of chromatin. In this report we present a general concept for Single Molecule localization Microscopy (SMLM) super-resolved imaging of DNA-binding dyes based on modifying the properties of DNA and the dye. By careful adjustment of the chemical environment leading to local, reversible DNA melting and hybridization control over the fluorescence signal of the DNA-binding dye molecules can be introduced. We postulate a transient binding as the basis for our variation of binding-activated localization microscopy (BALM). We demonstrate that several intercalating and minor-groove binding DNA dyes can be used to register (optically isolate) only a few DNA-binding dye signals at a time. To highlight this DNA structure fluctuation-assisted BALM (fBALM), we applied it to measure, for the first time, nanoscale differences in nuclear architecture in model ischemia with an anticipated structural resolution of approximately 50 nm. Our data suggest that this approach may open an avenue for the enhanced microscopic analysis of chromatin nano-architecture and hence the microscopic analysis of nuclear structure aberrations occurring in various pathological conditions. It may also become possible to analyse nuclear nanostructure differences in different cell types, stages of development or environmental stress conditions. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  13. Using local chromatin structure to improve CRISPR/Cas9 efficiency in zebrafish.

    Science.gov (United States)

    Chen, Yunru; Zeng, Shiyang; Hu, Ruikun; Wang, Xiangxiu; Huang, Weilai; Liu, Jiangfang; Wang, Luying; Liu, Guifen; Cao, Ying; Zhang, Yong

    2017-01-01

    Although the CRISPR/Cas9 has been successfully applied in zebrafish, considerable variations in efficiency have been observed for different gRNAs. The workload and cost of zebrafish mutant screening is largely dependent on the mutation rate of injected embryos; therefore, selecting more effective gRNAs is especially important for zebrafish mutant construction. Besides the sequence features, local chromatin structures may have effects on CRISPR/Cas9 efficiency, which remain largely unexplored. In the only related study in zebrafish, nucleosome organization was not found to have an effect on CRISPR/Cas9 efficiency, which is inconsistent with recent studies in vitro and in mammalian cell lines. To understand the effects of local chromatin structure on CRISPR/Cas9 efficiency in zebrafish, we first determined that CRISPR/Cas9 introduced genome editing mainly before the dome stage. Based on this observation, we reanalyzed our published nucleosome organization profiles and generated chromatin accessibility profiles in the 256-cell and dome stages using ATAC-seq technology. Our study demonstrated that chromatin accessibility showed positive correlation with CRISPR/Cas9 efficiency, but we did not observe a clear correlation between nucleosome organization and CRISPR/Cas9 efficiency. We constructed an online database for zebrafish gRNA selection based on local chromatin structure features that could prove beneficial to zebrafish homozygous mutant construction via CRISPR/Cas9.

  14. Effect of oxygen deficiency on electronic properties and local structure of amorphous tantalum oxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Denny, Yus Rama [Department of Physics Education, University of Sultan Ageng Tirtayasa, Banten 42435 (Indonesia); Firmansyah, Teguh [Department of Electrical Engineering, University of Sultan Ageng Tirtayasa, Banten 42435 (Indonesia); Oh, Suhk Kun [Department of Physics, Chungbuk National University, Cheongju 28644 (Korea, Republic of); Kang, Hee Jae, E-mail: hjkang@cbu.ac.kr [Department of Physics, Chungbuk National University, Cheongju 28644 (Korea, Republic of); Yang, Dong-Seok [Department of Physics Education, Chungbuk National University, Cheongju 28644 (Korea, Republic of); Heo, Sung; Chung, JaeGwan; Lee, Jae Cheol [Analytical Engineering Center, Samsung Advanced Institute of Technology, Suwon 16678 (Korea, Republic of)

    2016-10-15

    Highlights: • The effect of oxygen flow rate on electronic properties and local structure of tantalum oxide thin films was studied. • The oxygen deficiency induced the nonstoichiometric state a-TaOx. • A small peak at 1.97 eV above the valence band side appeared on nonstoichiometric Ta{sub 2}O{sub 5} thin films. • The oxygen flow rate can change the local electronic structure of tantalum oxide thin films. - Abstract: The dependence of electronic properties and local structure of tantalum oxide thin film on oxygen deficiency have been investigated by means of X-ray photoelectron spectroscopy (XPS), Reflection Electron Energy Loss Spectroscopy (REELS), and X-ray absorption spectroscopy (XAS). The XPS results showed that the oxygen flow rate change results in the appearance of features in the Ta 4f at the binding energies of 23.2 eV, 24.4 eV, 25.8, and 27.3 eV whose peaks are attributed to Ta{sup 1+}, Ta{sup 2+}, Ta{sup 3+}/Ta{sup 4+}, and Ta{sup 5+}, respectively. The presence of nonstoichiometric state from tantalum oxide (TaOx) thin films could be generated by the oxygen vacancies. In addition, XAS spectra manifested both the increase of coordination number of the first Ta-O shell and a considerable reduction of the Ta-O bond distance with the decrease of oxygen deficiency.

  15. Beyond co-localization: inferring spatial interactions between sub-cellular structures from microscopy images

    Directory of Open Access Journals (Sweden)

    Paul Grégory

    2010-07-01

    Full Text Available Abstract Background Sub-cellular structures interact in numerous direct and indirect ways in order to fulfill cellular functions. While direct molecular interactions crucially depend on spatial proximity, other interactions typically result in spatial correlations between the interacting structures. Such correlations are the target of microscopy-based co-localization analysis, which can provide hints of potential interactions. Two complementary approaches to co-localization analysis can be distinguished: intensity correlation methods capitalize on pattern discovery, whereas object-based methods emphasize detection power. Results We first reinvestigate the classical co-localization measure in the context of spatial point pattern analysis. This allows us to unravel the set of implicit assumptions inherent to this measure and to identify potential confounding factors commonly ignored. We generalize object-based co-localization analysis to a statistical framework involving spatial point processes. In this framework, interactions are understood as position co-dependencies in the observed localization patterns. The framework is based on a model of effective pairwise interaction potentials and the specification of a null hypothesis for the expected pattern in the absence of interaction. Inferred interaction potentials thus reflect all significant effects that are not explained by the null hypothesis. Our model enables the use of a wealth of well-known statistical methods for analyzing experimental data, as demonstrated on synthetic data and in a case study considering virus entry into live cells. We show that the classical co-localization measure typically under-exploits the information contained in our data. Conclusions We establish a connection between co-localization and spatial interaction of sub-cellular structures by formulating the object-based interaction analysis problem in a spatial statistics framework based on nearest-neighbor distance

  16. Impact of aquifer heterogeneity structure and local-scale dispersion on solute concentration uncertainty

    Science.gov (United States)

    Srzic, Veljko; Cvetkovic, Vladimir; Andricevic, Roko; Gotovac, Hrvoje

    2013-06-01

    In this paper, we study the influence of high log-conductivity variance (σY2) and local-scale dispersion on the first two concentration moments as well as on higher-order moments, skewness, and kurtosis, in a 2-D heterogeneous aquifer. Three different heterogeneity structures are considered, defined with one and the same global isotropic Gaussian variogram. The three structures differ in terms of spatial connectivity patterns at extreme log-conductivity values. Our numerical approach to simulate contaminant transport through heterogeneous porous media is based on the Lagrangian framework with a reverse tracking formulation. Advection and local-scale dispersion are two competing and controlling mechanisms, with a relative ratio defined by the Peclet number (Pe); hydraulic log-conductivity variance σY2 in the simulations is assumed to be one or eight. The term local-scale dispersion is used as a combined effect of molecular diffusion and mechanical dispersion. Uncertainty of the concentration field is quantified by the second-order moment, or the coefficient of variation (CVC) as a function of the sampling position along a centerline, Peclet number, and σY2, as well as by higher-order moments, i.e., skewness and kurtosis. The parameter σY2 shows a strong influence on the concentration statistics, while the three different structures have a minor impact in the case of low heterogeneity. The results also indicate that for σY2=8, the influence of local-scale dispersion is significant after five integral scales (IY) from the source for the connected (CN) field, while in case of a disconnected field, the local-scale dispersion effect is observed after 20IY from the source. In the case of unit σY2, local-scale dispersion acts very slowly affecting concentration uncertainty at distances higher than 20IY from the source. Our inspection of Monte Carlo concentration skewness and kurtosis with the ones obtained from the Beta distribution show the discrepancies for high

  17. Local atomic structure in iron copper binary alloys: An extended X-ray absorption fine structure study

    Energy Technology Data Exchange (ETDEWEB)

    Kuri, G. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)]. E-mail: goutam.kuri@psi.ch; Degueldre, C. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Bertsch, J. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Rothe, J. [INE, Forschungszentrum Karlsruhe, 76344 Karlsruhe (Germany)

    2007-05-31

    Understanding the clustering process and the evolution of the precipitate structure of copper in Fe-Cu system is an important step in the description of material hardening and the embrittlement process normally observed under irradiation conditions. In this work, an extended X-ray absorption fine structure (EXAFS) spectroscopy characterization of Fe-0.3 wt%Cu and Fe-1.0 wt%Cu binary model alloys has been performed in order to investigate the local structure around Cu and Fe atoms in the matrix. The effect of thermal ageing was studied on one Fe-Cu specimen containing 1.0 wt% Cu annealed at 775 K for a duration of 1 h. The near-neighbour environment of Cu and Fe was examined by determining the best-fit structural parameters after curve fitting to the first-few-shells EXAFS functions. The results provide an indication of the formation of sub-nanometer-size Cu clusters in Fe matrix for the specimens examined. The average structural parameters estimated from the EXAFS data are presented and discussed.

  18. Translation-rotation decoupling of tracers of locally favorable structures in glass-forming liquids

    Science.gov (United States)

    Park, Yoonjae; Kim, Jeongmin; Sung, Bong June

    2017-09-01

    Particles in glass-forming liquids may form domains of locally favorable structures (LFSs) upon supercooling. Whether and how the LFS domains would relate to the slow relaxation of the glass-forming liquids have been issues of interest. In this study, we employ tracers of which structures resemble the LFS domains in Wahnström and Kob-Andersen (KA) glass-forming liquids and investigate the translation-rotation decoupling of the tracers. We find that the tracer structure affects how the translation and the rotation of tracers decouple and that information on the local mobility around the LFS domains may be gleaned from the tracer dynamics. According to the Stokes-Einstein relation and the Debye-Stokes-Einstein relation, the ratio of the translational (DT) and rotational (DR) diffusion coefficients is expected to be a constant over a range of T /η , where η and T denote the medium viscosity and temperature, respectively. In supercooled liquids and glasses, however, DT and DR decouple due to dynamic heterogeneity, thus DT/DR not being constant any more. In Wahnström glass-forming liquids, icosahedron LFS domains are the most long-lived ones and the mobility of neighbor particles around the icosahedron LFS domain is suppressed. We find from our simulations that the icosahedron tracers, similar in size and shape to the icosahedron LFS domains, experience drastic translation-rotation decoupling upon cooling. The local mobility of liquid particles around the icosahedron tracers is also suppressed significantly. On the other hand, tracers of FCC and HCP structures do not show translation-rotation decoupling in the Wahnström liquid. In KA glass-forming liquids, bicapped square antiprism LFS domains are the most long-lived LFS domains but are not correlated significantly with the local mobility. We find from our simulations that DT and DR of bicapped square antiprism tracers, also similar in size and shape to the bicapped square antiprism LFS domains, do not decouple

  19. Broadband locally resonant band gaps in periodic beam structures with embedded acoustic black holes

    Science.gov (United States)

    Tang, Liling; Cheng, Li

    2017-05-01

    The Acoustic Black Hole (ABH) effect can be used to effectively reduce structural vibrations by trapping flexural waves in a thin-walled structure with a power-law thickness variation. In the present study, we used a wavelet-decomposed energy method to investigate an Euler-Bernoulli beam embedded with multiple ABHs. Broadband transmission attenuation bands at relatively low frequencies are observed in a beam containing only a few ABH elements. To explain the underlying phenomena, an infinite structure with periodic ABH elements is analyzed. Numerical results show that the periodic boundary conditions in terms of displacement and rotational slope of a unit cell, based on the finite model, are sufficient to describe the band structures, without requiring full treatment of the entire infinite structure. This provides an efficient and flexible means to predict, and eventually optimize, the band structure based on a single element. Meanwhile, the ABH-induced locally resonant band gaps coincide with the attenuation bands observed in the finite beams. Because of the unique ABH feature, the proposed beam requires only a small number of elements to obtain broad attenuation bands, which offers great potential for vibrational isolation applications and wave filter designs in beam structures.

  20. Global localization of 3D anatomical structures by pre-filtered Hough forests and discrete optimization.

    Science.gov (United States)

    Donner, René; Menze, Bjoern H; Bischof, Horst; Langs, Georg

    2013-12-01

    The accurate localization of anatomical landmarks is a challenging task, often solved by domain specific approaches. We propose a method for the automatic localization of landmarks in complex, repetitive anatomical structures. The key idea is to combine three steps: (1) a classifier for pre-filtering anatomical landmark positions that (2) are refined through a Hough regression model, together with (3) a parts-based model of the global landmark topology to select the final landmark positions. During training landmarks are annotated in a set of example volumes. A classifier learns local landmark appearance, and Hough regressors are trained to aggregate neighborhood information to a precise landmark coordinate position. A non-parametric geometric model encodes the spatial relationships between the landmarks and derives a topology which connects mutually predictive landmarks. During the global search we classify all voxels in the query volume, and perform regression-based agglomeration of landmark probabilities to highly accurate and specific candidate points at potential landmark locations. We encode the candidates' weights together with the conformity of the connecting edges to the learnt geometric model in a Markov Random Field (MRF). By solving the corresponding discrete optimization problem, the most probable location for each model landmark is found in the query volume. We show that this approach is able to consistently localize the model landmarks despite the complex and repetitive character of the anatomical structures on three challenging data sets (hand radiographs, hand CTs, and whole body CTs), with a median localization error of 0.80 mm, 1.19 mm and 2.71 mm, respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Demographic History, Population Structure, and Local Adaptation in Alpine Populations of Cardamine impatiens and Cardamine resedifolia.

    Directory of Open Access Journals (Sweden)

    Lino Ometto

    Full Text Available Species evolution depends on numerous and distinct forces, including demography and natural selection. For example, local adaptation and population structure affect the evolutionary history of species living along environmental clines. This is particularly relevant in plants, which are often characterized by limited dispersal ability and the need to respond to abiotic and biotic stress factors specific to the local environment. Here we study the demographic history and the possible existence of local adaptation in two related species of Brassicaceae, Cardamine impatiens and Cardamine resedifolia, which occupy separate habitats along the elevation gradient. Previous genome-wide analyses revealed the occurrence of distinct selective pressures in the two species, with genes involved in cold response evolving particularly fast in C. resedifolia. In this study we surveyed patterns of molecular evolution and genetic variability in a set of 19 genes, including neutral and candidate genes involved in cold response, across 10 populations each of C. resedifolia and C. impatiens from the Italian Alps (Trentino. We inferred the population structure and demographic history of the two species, and tested the occurrence of signatures of local adaptation in these genes. The results indicate that, despite a slightly higher population differentiation in C. resedifolia than in C. impatiens, both species are only weakly structured and that populations sampled at high altitude experience less gene flow than low-altitude ones. None of the genes showed signatures of positive selection, suggesting that they do not seem to play relevant roles in the current evolutionary processes of adaptation to alpine environments of these species.

  2. Demographic History, Population Structure, and Local Adaptation in Alpine Populations of Cardamine impatiens and Cardamine resedifolia

    Science.gov (United States)

    Ometto, Lino; Li, Mingai; Bresadola, Luisa; Barbaro, Enrico; Neteler, Markus; Varotto, Claudio

    2015-01-01

    Species evolution depends on numerous and distinct forces, including demography and natural selection. For example, local adaptation and population structure affect the evolutionary history of species living along environmental clines. This is particularly relevant in plants, which are often characterized by limited dispersal ability and the need to respond to abiotic and biotic stress factors specific to the local environment. Here we study the demographic history and the possible existence of local adaptation in two related species of Brassicaceae, Cardamine impatiens and Cardamine resedifolia, which occupy separate habitats along the elevation gradient. Previous genome-wide analyses revealed the occurrence of distinct selective pressures in the two species, with genes involved in cold response evolving particularly fast in C. resedifolia. In this study we surveyed patterns of molecular evolution and genetic variability in a set of 19 genes, including neutral and candidate genes involved in cold response, across 10 populations each of C. resedifolia and C. impatiens from the Italian Alps (Trentino). We inferred the population structure and demographic history of the two species, and tested the occurrence of signatures of local adaptation in these genes. The results indicate that, despite a slightly higher population differentiation in C. resedifolia than in C. impatiens, both species are only weakly structured and that populations sampled at high altitude experience less gene flow than low-altitude ones. None of the genes showed signatures of positive selection, suggesting that they do not seem to play relevant roles in the current evolutionary processes of adaptation to alpine environments of these species. PMID:25933225

  3. Metal-dielectric composite optical structures with novel dynamic tunable localized surface-plasmonic effects

    Science.gov (United States)

    Feng, Yuyang; Willatzen, Morten; Andersen, Niels L.

    2007-05-01

    A tunable MEMS sub-wavelength surface plasmonic apparatus is proposed based on localized surface-plasmon resonance effects. Optical tunneling is obtained through Surface Plasmon Polaritons (SPP) and Localized Surface Plasmon (LSP) by using a periodic sub-wavelength narrow-grooved metal-dielectric-metal (MDM) composite structure. Only p-polarized light can excite the SPP and LSP resonantly. The excited LSP mode with a strong field enhancement at the incident side grooves, resonantly excites the LSP mode on the other side of the thin structure. Then, with matched radiative modes, photons are radiated and tunneled. Nano/micro electromechanical actuation of small elastic deformations makes it possible to dynamically tune the localized surface plasmons via shape changes. Numerical simulations based on the Finite-Difference Time-Domain (FDTD) method are carried out on sub-wavelength structures and the results discussed. The MDM concept provides a new method to achieve real-time, dynamic tunable control and manipulation of light transmission and reflection via LSP which is different from novel tunable SPP apparatus where refractive index modulation is obtained using a voltage-controlled liquid crystal or tunable spaced air-gapped micro-prisms based on a convential SPP arrangement. This is important for the manipulation of LSP and plasmonic device design applications. Furthermore, a proposed Localized Surface Plasmon Resonance (LSPR) sensor mechanism with MDM-LSPR are demonstrated with numerical results. We believe that the MDM-LSPR is a novel principle for LSPR sensors in dielectric sensing for chemical or biologic applications which compares to current LSPR sensors with nano-particle LSPR and nanosphere lithography (NSL).

  4. Vicus: Exploiting local structures to improve network-based analysis of biological data.

    Science.gov (United States)

    Wang, Bo; Huang, Lin; Zhu, Yuke; Kundaje, Anshul; Batzoglou, Serafim; Goldenberg, Anna

    2017-10-01

    Biological networks entail important topological features and patterns critical to understanding interactions within complicated biological systems. Despite a great progress in understanding their structure, much more can be done to improve our inference and network analysis. Spectral methods play a key role in many network-based applications. Fundamental to spectral methods is the Laplacian, a matrix that captures the global structure of the network. Unfortunately, the Laplacian does not take into account intricacies of the network's local structure and is sensitive to noise in the network. These two properties are fundamental to biological networks and cannot be ignored. We propose an alternative matrix Vicus. The Vicus matrix captures the local neighborhood structure of the network and thus is more effective at modeling biological interactions. We demonstrate the advantages of Vicus in the context of spectral methods by extensive empirical benchmarking on tasks such as single cell dimensionality reduction, protein module discovery and ranking genes for cancer subtyping. Our experiments show that using Vicus, spectral methods result in more accurate and robust performance in all of these tasks.

  5. In situ KPFM imaging of local photovoltaic characteristics of structured organic photovoltaic devices.

    Science.gov (United States)

    Watanabe, Satoshi; Fukuchi, Yasumasa; Fukasawa, Masako; Sassa, Takafumi; Kimoto, Atsushi; Tajima, Yusuke; Uchiyama, Masanobu; Yamashita, Takashi; Matsumoto, Mutsuyoshi; Aoyama, Tetsuya

    2014-02-12

    Here, we discuss the local photovoltaic characteristics of a structured bulk heterojunction, organic photovoltaic devices fabricated with a liquid carbazole, and a fullerene derivative based on analysis by scanning kelvin probe force microscopy (KPFM). Periodic photopolymerization induced by an interference pattern from two laser beams formed surface relief gratings (SRG) in the structured films. The surface potential distribution in the SRGs indicates the formation of donor and acceptor spatial distribution. Under illumination, the surface potential reversibly changed because of the generation of fullerene anions and hole transport from the films to substrates, which indicates that we successfully imaged the local photovoltaic characteristics of the structured photovoltaic devices. Using atomic force microscopy, we confirmed the formation of the SRG because of the material migration to the photopolymerized region of the films, which was induced by light exposure through photomasks. The structuring technique allows for the direct fabrication and the control of donor and acceptor spatial distribution in organic photonic and electronic devices with minimized material consumption. This in situ KPFM technique is indispensable to the fabrication of nanoscale electron donor and electron acceptor spatial distribution in the devices.

  6. Propagation of localized structures in relativistic magnetized electron-positron plasmas using particle-in-cell simulations

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción 4070386 (Chile); Muñoz, Víctor [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Viñas, Adolfo F. [Geospace Physics Laboratory, Heliophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Valdivia, Juan A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología (CEDENNA), Santiago 9170124 (Chile)

    2015-09-15

    We use a particle-in-cell simulation to study the propagation of localized structures in a magnetized electron-positron plasma with relativistic finite temperature. We use as initial condition for the simulation an envelope soliton solution of the nonlinear Schrödinger equation, derived from the relativistic two fluid equations in the strongly magnetized limit. This envelope soliton turns out not to be a stable solution for the simulation and splits in two localized structures propagating in opposite directions. However, these two localized structures exhibit a soliton-like behavior, as they keep their profile after they collide with each other due to the periodic boundary conditions. We also observe the formation of localized structures in the evolution of a spatially uniform circularly polarized Alfvén wave. In both cases, the localized structures propagate with an amplitude independent velocity.

  7. Analysing taxonomic structures and local ecological processes in temperate forests in North Eastern China.

    Science.gov (United States)

    Fan, Chunyu; Tan, Lingzhao; Zhang, Chunyu; Zhao, Xiuhai; von Gadow, Klaus

    2017-10-30

    One of the core issues of forest community ecology is the exploration of how ecological processes affect community structure. The relative importance of different processes is still under debate. This study addresses four questions: (1) how is the taxonomic structure of a forest community affected by spatial scale? (2) does the taxonomic structure reveal effects of local processes such as environmental filtering, dispersal limitation or interspecific competition at a local scale? (3) does the effect of local processes on the taxonomic structure vary with the spatial scale? (4) does the analysis based on taxonomic structures provide similar insights when compared with the use of phylogenetic information? Based on the data collected in two large forest observational field studies, the taxonomic structures of the plant communities were analyzed at different sampling scales using taxonomic ratios (number of genera/number of species, number of families/number of species), and the relationship between the number of higher taxa and the number of species. Two random null models were used and the "standardized effect size" (SES) of taxonomic ratios was calculated, to assess possible differences between the observed and simulated taxonomic structures, which may be caused by specific ecological processes. We further applied a phylogeny-based method to compare results with those of the taxonomic approach. As expected, the taxonomic ratios decline with increasing grain size. The quantitative relationship between genera/families and species, described by a linearized power function, showed a good fit. With the exception of the family-species relationship in the Jiaohe study area, the exponents of the genus/family-species relationships did not show any scale dependent effects. The taxonomic ratios of the observed communities had significantly lower values than those of the simulated random community under the test of two null models at almost all scales. Null Model 2 which

  8. Local structures of ions at ion-exchange resin/solution interface.

    Science.gov (United States)

    Harada, Makoto; Okada, Tetsuo

    2005-08-26

    The local structures of Cl- and Br- in anion-exchange resins have been studied by X-ray absorption fine structure (XAFS), and separation selectivity is discussed on the basis of results. When two different anion-exchange resins having trimethylammonium and dimethylammonium groups as anion-exchange groups are employed for ion-exchange experiments, slightly higher Br- selectivity has been obtained with the former. XAFS has indicated that the average hydration numbers for a given anion is not affected by the structure of the ion-exchange group, but that the extent of ion-association between the anion and the ion-exchange groups depends on the type of the ion-exchange group. Shorter interaction distance (and in turn stronger ion-association) has been confirmed for the dimethylammonium-type resin, and is consistent with lower Br- selectivity of this resin.

  9. Text localization using standard deviation analysis of structure elements and support vector machines

    Science.gov (United States)

    Zagoris, Konstantinos; Chatzichristofis, Savvas A.; Papamarkos, Nikos

    2011-12-01

    A text localization technique is required to successfully exploit document images such as technical articles and letters. The proposed method detects and extracts text areas from document images. Initially a connected components analysis technique detects blocks of foreground objects. Then, a descriptor that consists of a set of suitable document structure elements is extracted from the blocks. This is achieved by incorporating an algorithm called Standard Deviation Analysis of Structure Elements (SDASE) which maximizes the separability between the blocks. Another feature of the SDASE is that its length adapts according to the requirements of the application. Finally, the descriptor of each block is used as input to a trained support vector machines that classify the block as text or not. The proposed technique is also capable of adjusting to the text structure of the documents. Experimental results on benchmarking databases demonstrate the effectiveness of the proposed method.

  10. Correlation between Local Structure Order and Spatial Heterogeneity in a Metallic Glass

    Science.gov (United States)

    Zhu, Fan; Hirata, Akihiko; Liu, Pan; Song, Shuangxi; Tian, Yuan; Han, Jiuhui; Fujita, Takeshi; Chen, Mingwei

    2017-11-01

    Although nanoscale spatial heterogeneity of metallic glasses has been demonstrated by extensive experimental and theoretical investigations, the nature of spatial heterogeneity remains poorly known owing to the absence of a structural depiction of the inhomogeneity from experimental insight. Here we report the experimental characterization of the spatial heterogeneity of a metallic glass by utilizing state-of-the-art angstrom-beam electron diffraction and scanning transmission electron microscopy. The subnanoscale electron diffraction reveals that the nanoscale spatial heterogeneity and corresponding density fluctuation have a close correlation with the local structure variation from icosahedronlike to tetragonal crystal-like order. The structural insights of spatial heterogeneity have important implications in understanding the properties and dynamics of metallic glasses.

  11. Local concurrent error detection and correction in data structures using virtual backpointers

    Science.gov (United States)

    Li, Chung-Chi Jim; Chen, Paul Peichuan; Fuchs, W. Kent

    1989-01-01

    A new technique, based on virtual backpointers, for local concurrent error detection and correction in linked data strutures is presented. Two new data structures, the Virtual Double Linked List, and the B-tree with Virtual Backpointers, are described. For these structures, double errors can be detected in 0(1) time and errors detected during forward moves can be corrected in 0(1) time. The application of a concurrent auditor process to data structure error detection and correction is analyzed, and an implementation is described, to determine the effect on mean time to failure of a multi-user shared database system. The implementation utilizes a Sequent shared memory multiprocessor system operating on a shared database of Virtual Double Linked Lists.

  12. Text localization using standard deviation analysis of structure elements and support vector machines

    Directory of Open Access Journals (Sweden)

    Zagoris Konstantinos

    2011-01-01

    Full Text Available Abstract A text localization technique is required to successfully exploit document images such as technical articles and letters. The proposed method detects and extracts text areas from document images. Initially a connected components analysis technique detects blocks of foreground objects. Then, a descriptor that consists of a set of suitable document structure elements is extracted from the blocks. This is achieved by incorporating an algorithm called Standard Deviation Analysis of Structure Elements (SDASE which maximizes the separability between the blocks. Another feature of the SDASE is that its length adapts according to the requirements of the application. Finally, the descriptor of each block is used as input to a trained support vector machines that classify the block as text or not. The proposed technique is also capable of adjusting to the text structure of the documents. Experimental results on benchmarking databases demonstrate the effectiveness of the proposed method.

  13. Hierarchical pictorial structures for simultaneously localizing multiple organs in volumetric pre-scan CT

    Science.gov (United States)

    Montillo, Albert; Song, Qi; Das, Bipul; Yin, Zhye

    2015-03-01

    Parsing volumetric computed tomography (CT) into 10 or more salient organs simultaneously is a challenging task with many applications such as personalized scan planning and dose reporting. In the clinic, pre-scan data can come in the form of very low dose volumes acquired just prior to the primary scan or from an existing primary scan. To localize organs in such diverse data, we propose a new learning based framework that we call hierarchical pictorial structures (HPS) which builds multiple levels of models in a tree-like hierarchy that mirrors the natural decomposition of human anatomy from gross structures to finer structures. Each node of our hierarchical model learns (1) the local appearance and shape of structures, and (2) a generative global model that learns probabilistic, structural arrangement. Our main contribution is twofold. First we embed the pictorial structures approach in a hierarchical framework which reduces test time image interpretation and allows for the incorporation of additional geometric constraints that robustly guide model fitting in the presence of noise. Second we guide our HPS framework with the probabilistic cost maps extracted using random decision forests using volumetric 3D HOG features which makes our model fast to train and fast to apply to novel test data and posses a high degree of invariance to shape distortion and imaging artifacts. All steps require approximate 3 mins to compute and all organs are located with suitably high accuracy for our clinical applications such as personalized scan planning for radiation dose reduction. We assess our method using a database of volumetric CT scans from 81 subjects with widely varying age and pathology and with simulated ultra-low dose cadaver pre-scan data.

  14. G-LoSA: An efficient computational tool for local structure-centric biological studies and drug design.

    Science.gov (United States)

    Lee, Hui Sun; Im, Wonpil

    2016-04-01

    Molecular recognition by protein mostly occurs in a local region on the protein surface. Thus, an efficient computational method for accurate characterization of protein local structural conservation is necessary to better understand biology and drug design. We present a novel local structure alignment tool, G-LoSA. G-LoSA aligns protein local structures in a sequence order independent way and provides a GA-score, a chemical feature-based and size-independent structure similarity score. Our benchmark validation shows the robust performance of G-LoSA to the local structures of diverse sizes and characteristics, demonstrating its universal applicability to local structure-centric comparative biology studies. In particular, G-LoSA is highly effective in detecting conserved local regions on the entire surface of a given protein. In addition, the applications of G-LoSA to identifying template ligands and predicting ligand and protein binding sites illustrate its strong potential for computer-aided drug design. We hope that G-LoSA can be a useful computational method for exploring interesting biological problems through large-scale comparison of protein local structures and facilitating drug discovery research and development. G-LoSA is freely available to academic users at http://im.compbio.ku.edu/GLoSA/. © 2016 The Protein Society.

  15. Fusion of multichannel local and global structural cues for photo aesthetics evaluation.

    Science.gov (United States)

    Luming Zhang; Yue Gao; Zimmermann, Roger; Qi Tian; Xuelong Li

    2014-03-01

    Photo aesthetic quality evaluation is a fundamental yet under addressed task in computer vision and image processing fields. Conventional approaches are frustrated by the following two drawbacks. First, both the local and global spatial arrangements of image regions play an important role in photo aesthetics. However, existing rules, e.g., visual balance, heuristically define which spatial distribution among the salient regions of a photo is aesthetically pleasing. Second, it is difficult to adjust visual cues from multiple channels automatically in photo aesthetics assessment. To solve these problems, we propose a new photo aesthetics evaluation framework, focusing on learning the image descriptors that characterize local and global structural aesthetics from multiple visual channels. In particular, to describe the spatial structure of the image local regions, we construct graphlets small-sized connected graphs by connecting spatially adjacent atomic regions. Since spatially adjacent graphlets distribute closely in their feature space, we project them onto a manifold and subsequently propose an embedding algorithm. The embedding algorithm encodes the photo global spatial layout into graphlets. Simultaneously, the importance of graphlets from multiple visual channels are dynamically adjusted. Finally, these post-embedding graphlets are integrated for photo aesthetics evaluation using a probabilistic model. Experimental results show that: 1) the visualized graphlets explicitly capture the aesthetically arranged atomic regions; 2) the proposed approach generalizes and improves four prominent aesthetic rules; and 3) our approach significantly outperforms state-of-the-art algorithms in photo aesthetics prediction.

  16. Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

    KAUST Repository

    Chen, Chen

    2017-12-20

    We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (DMA) and 5,10,15,20-tetrakis(4-aminophenyl) porphyrin (TAPP) onto a Au(111) surface in ultrahigh vacuum followed by annealing to facilitate Schiff-base condensations between monomers. Scanning tunneling spectroscopy (STS) experiments conducted on isolated TAPP precursor molecules and the covalently linked COF networks yield similar transport (HOMO-LUMO) gaps of 1.85 ± 0.05 eV and 1.98 ± 0.04 eV, respectively. The COF orbital energy alignment, however, undergoes a significant downward shift compared to isolated TAPP molecules due to the electron-withdrawing nature of the imine bond formed during COF synthesis. Direct imaging of the COF local density of states (LDOS) via dI/dV mapping reveals that the COF HOMO and LUMO states are localized mainly on the porphyrin cores and that the HOMO displays reduced symmetry. DFT calculations reproduce the imine-induced negative shift in orbital energies and reveal that the origin of the reduced COF wave function symmetry is a saddle-like structure adopted by the porphyrin macrocycle due to its interactions with the Au(111) substrate.

  17. Probing the local structure of doped manganites using the atomic pair distribution function

    Science.gov (United States)

    Proffen, T.; Billinge, S. J. L.

    We have used atomic pair distribution function (PDF) analysis based on neutron powder diffraction data to investigate the local structure of the colossal magnetoresistant manganite La0.75Ca0.25MnO3 as a function of temperature. In the doping range 0.17materials show a metal-to-insulator transition, transforming from a ferromagnetic metal (FM) at low temperature to a paramagnetic insulator (PI). We can probe the charge distribution of the sample using the PDF by searching for evidence of Jahn-Teller (JT) distorted octahedra, implying the presence of Mn3+ ions. A two-phase model based on the local structures of the FM and PI phases was used to refine the experimental PDFs quantitatively. We observe the co-existence of both phases over a wide temperature range: approximately 10% of the localized JT phase (PI) is present even at the lowest temperature (T=20K), whereas at room temperature nearly half of the sample remains in the delocalized (FM) phase.

  18. Kinetic Model of Electric Potentials in Localized Collisionless Plasma Structures under Steady Quasi-gyrotropic Conditions

    Science.gov (United States)

    Schindler, K.; Birn, J.; Hesse, M.

    2012-01-01

    Localized plasma structures, such as thin current sheets, generally are associated with localized magnetic and electric fields. In space plasmas localized electric fields not only play an important role for particle dynamics and acceleration but may also have significant consequences on larger scales, e.g., through magnetic reconnection. Also, it has been suggested that localized electric fields generated in the magnetosphere are directly connected with quasi-steady auroral arcs. In this context, we present a two-dimensional model based on Vlasov theory that provides the electric potential for a large class of given magnetic field profiles. The model uses an expansion for small deviation from gyrotropy and besides quasineutrality it assumes that electrons and ions have the same number of particles with their generalized gyrocenter on any given magnetic field line. Specializing to one dimension, a detailed discussion concentrates on the electric potential shapes (such as "U" or "S" shapes) associated with magnetic dips, bumps, and steps. Then, it is investigated how the model responds to quasi-steady evolution of the plasma. Finally, the model proves useful in the interpretation of the electric potentials taken from two existing particle simulations.

  19. Kinetic model of electric potentials in localized collisionless plasma structures under steady quasi-gyrotropic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Schindler, K. [Ruhr University Bochum, 44780 Bochum (Germany); Birn, J. [Space Science Institute, Boulder, Colorado 80301 (United States); Hesse, M. [Nasa Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States)

    2012-08-15

    Localized plasma structures, such as thin current sheets, generally are associated with localized magnetic and electric fields. In space plasmas localized electric fields not only play an important role for particle dynamics and acceleration but may also have significant consequences on larger scales, e.g., through magnetic reconnection. Also, it has been suggested that localized electric fields generated in the magnetosphere are directly connected with quasi-steady auroral arcs. In this context, we present a two-dimensional model based on Vlasov theory that provides the electric potential for a large class of given magnetic field profiles. The model uses an expansion for small deviation from gyrotropy and besides quasineutrality it assumes that electrons and ions have the same number of particles with their generalized gyrocenter on any given magnetic field line. Specializing to one dimension, a detailed discussion concentrates on the electric potential shapes (such as 'U' or 'S' shapes) associated with magnetic dips, bumps, and steps. Then, it is investigated how the model responds to quasi-steady evolution of the plasma. Finally, the model proves useful in the interpretation of the electric potentials taken from two existing particle simulations.

  20. Local adaptation in Trinidadian guppies alters stream ecosystem structure at landscape scales despite high environmental variability

    Science.gov (United States)

    Simon, Troy N.; Bassar, Ronald D.; Binderup, Andrew J.; Flecker, Alex S.; Freeman, Mary C.; Gilliam, James F.; Marshall, Michael C.; Thomas, Steve A.; Travis, Joseph; Reznick, David N.; Pringle, Catherine M.

    2017-01-01

    While previous studies have shown that evolutionary divergence alters ecological processes in small-scale experiments, a major challenge is to assess whether such evolutionary effects are important in natural ecosystems at larger spatial scales. At the landscape scale, across eight streams in the Caroni drainage, we found that the presence of locally adapted populations of guppies (Poecilia reticulata) is associated with reduced algal biomass and increased invertebrate biomass, while the opposite trends were true in streams with experimentally introduced populations of non-locally adapted guppies. Exclusion experiments conducted in two separate reaches of a single stream showed that guppies with locally adapted phenotypes significantly reduced algae with no effect on invertebrates, while non-adapted guppies had no effect on algae but significantly reduced invertebrates. These divergent effects of phenotype on stream ecosystems are comparable in strength to the effects of abiotic factors (e.g., light) known to be important drivers of ecosystem condition. They also corroborate the results of previous experiments conducted in artificial streams. Our results demonstrate that local adaptation can produce phenotypes with significantly different effects in natural ecosystems at a landscape scale, within a tropical watershed, despite high variability in abiotic factors: five of the seven physical and chemical parameters measured across the eight study streams varied by more than one order of magnitude. Our findings suggest that ecosystem structure is, in part, an evolutionary product and not simply an ecological pattern.

  1. MEMS Biomimetic Acoustic Pressure Gradient Sensitive Structure for Sound Source Localization

    Directory of Open Access Journals (Sweden)

    Sen Ren

    2009-07-01

    Full Text Available The parasitoid fly Ormia ochracea shows an astonishing localization ability with its tiny hearing organ. A novel MEMS biomimetic acoustic pressure gradient sensitive structure was designed and fabricated by mimicking the mechanically coupled tympana of the fly. Firstly, the analytic representation formulas of the resultant force and resultant moment of the incoming plane wave acting on the structure were derived. After that, structure modal analysis was performed and the results show that the structure has out-of-phase and in-phase vibration modes, and the corresponding eigenfrequency is decided by the stiffness of vertical torsional beam and horizontal beam respectively. Acoustic-structural coupled analysis was performed and the results show that phase difference and amplitude difference between the responses of the two square diaphragms of the sensitive structure are effectively enlarged through mechanical coupling beam. The phase difference and amplitude difference increase with increasing incident angle and can be used to distinguish the direction of sound arrival. At last, the fabrication process and results of the device is also presented.

  2. Crystal structure of rice importin-α and structural basis of its interaction with plant-specific nuclear localization signals.

    Science.gov (United States)

    Chang, Chiung-Wen; Couñago, Rafael Lemos Miguez; Williams, Simon J; Bodén, Mikael; Kobe, Boštjan

    2012-12-01

    In the classical nucleocytoplasmic import pathway, nuclear localization signals (NLSs) in cargo proteins are recognized by the import receptor importin-α. Importin-α has two separate NLS binding sites (the major and the minor site), both of which recognize positively charged amino acid clusters in NLSs. Little is known about the molecular basis of the unique features of the classical nuclear import pathway in plants. We determined the crystal structure of rice (Oryza sativa) importin-α1a at 2-Å resolution. The structure reveals that the autoinhibitory mechanism mediated by the importin-β binding domain of importin-α operates in plants, with NLS-mimicking sequences binding to both minor and major NLS binding sites. Consistent with yeast and mammalian proteins, rice importin-α binds the prototypical NLS from simian virus 40 large T-antigen preferentially at the major NLS binding site. We show that two NLSs, previously described as plant specific, bind to and are functional with plant, mammalian, and yeast importin-α proteins but interact with rice importin-α more strongly. The crystal structures of their complexes with rice importin-α show that they bind to the minor NLS binding site. By contrast, the crystal structures of their complexes with mouse (Mus musculus) importin-α show preferential binding to the major NLS binding site. Our results reveal the molecular basis of a number of features of the classical nuclear transport pathway specific to plants.

  3. Cross flow response of a cylindrical structure under local shear flow

    Directory of Open Access Journals (Sweden)

    Yoo-Chul Kim

    2009-12-01

    Full Text Available The VIV (Vortex-Induced Vibration analysis of a flexible cylindrical structure under locally strong shear flow is presented. The model is made of Teflon and has 9.5m length, 0.0127m diameter, and 0.001m wall thickness. 11 2-dimensional accelerometers are installed along the model. The experiment has been conducted at the ocean engineering basin in the University of Tokyo in which uniform current can be generated. The model is installed at about 30 degree of slope and submerged by almost overall length. Local shear flow is made by superposing uniform current and accelerated flow generated by an impeller. The results of frequency and modal analysis are presented.

  4. Local Order-Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid.

    Science.gov (United States)

    Faria, Luiz F O; Paschoal, Vitor H; Lima, Thamires A; Ferreira, Fabio F; Freitas, Rafael S; Ribeiro, Mauro C C

    2017-10-26

    A local order-disorder transition has been disclosed in the thermophysical behavior of the ionic liquid 1-benzyl-3-methylimidazolium dicyanamide, [Bzmim][N(CN)2], and its microscopic nature revealed by spectroscopic techniques. Differential scanning calorimetry and specific heat measurements show a thermal event of small enthalpy variation taking place in the range 250-260 K, which is not due to crystallization or melting. Molecular dynamic simulations and X-ray diffraction measurements have been used to discuss the segregation of domains in the liquid structure of [Bzmim][N(CN)2]. Raman and NMR spectroscopy measurements as a function of temperature indicate that the microscopic origin of the event observed in the calorimetric measurements comes from structural rearrangement involving the benzyl group. The results indicate that the characteristic structural heterogeneity allow for rearrangements within local domains implying the good glass-forming ability for the low viscosity ionic liquid [Bzmim][N(CN)2]. This work sheds light on our understanding of the microscopic origin behind complex thermal behavior of ionic liquids.

  5. Phylogeny, genetic relationships and population structure of five Italian local chicken breeds

    Directory of Open Access Journals (Sweden)

    Simone Ceccobelli

    2013-09-01

    Full Text Available Number and population size of local chicken breeds in Italy is considered to be critical. Molecular data can be used to provide reliable insight into the diversity of chicken breeds. The first aim of this study was to investigate the maternal genetic origin of five Italian local chicken breeds (Ancona, Livorno, Modenese, Romagnola and Valdarnese bianca based on mitochondrial DNA (mtDNA information. Secondly, the extent of the genetic diversity, population structure and the genetic relationships among these chicken populations, by using 27 microsatellite markers, were assessed. To achieve these targets, a 506 bp fragment of the D-loop region was sequenced in 50 chickens of the five breeds. Eighteen variable sites were observed which defined 12 haplotypes. They were assigned to three clades and two maternal lineages. Results indicated that 90% of the haplotypes are related to clade E, which has been described to originate from the Indian subcontinent. For the microsatellite analysis, 137 individual blood samples from the five Italian breeds were included. A total of 147 alleles were detected at 27 microsatellite loci. The five Italian breeds showed a slightly higher degree of inbreeding (FIS=0.08 than the commercial populations that served as reference. Structure analysis showed a separation of the Italian breeds from the reference populations. A further sub-clustering allowed discriminating among the five different Italian breeds. This research provides insight into population structure, relatedness and variability of the five studied breeds.

  6. Hippocampal and amygdalar local structural differences in elderly patients with schizophrenia.

    Science.gov (United States)

    Prestia, Annapaola; Cavedo, Enrica; Boccardi, Marina; Muscio, Cristina; Adorni, Andrea; Geroldi, Cristina; Bonetti, Matteo; Thompson, Paul M; Frisoni, Giovanni B

    2015-01-01

    Morphological abnormalities have been reported for the hippocampi and amygdalae in young schizophrenia patients, but very little is known about the pattern of abnormalities in elderly schizophrenia patients. Here we investigated local structural differences in the hippocampi and amygdalae of elderly schizophrenia patients compared with healthy elderly subjects. We also related these differences to clinical symptom severity. 20 schizophrenia patients (mean age: 67.4 ± 6.2 years; Mini-Mental State Exam: 22.8 ± 4.4) and 20 healthy elderly subjects (70.3 ± 7.5 years; 29.0 ± 1.1) underwent high resolution magnetic resonance imaging of the brain. The Radial Atrophy Mapping technique was used to reconstruct the 3D shape of the amygdala and the hippocampus. Local differences in tissue reductions were computed between groups and permutation tests were run to correct for multiple comparisons, in statistical maps thresholded at p = 0.05. Significant tissue reduction was observed bilaterally in the amygdala and hippocampus of schizophrenia patients. The basolateral-ventral-medial amygdalar nucleus showed the greatest involvement, with over 30% local tissue reduction. The centro-medial, cortical, and lateral nuclei were also atrophic in patients. The hippocampus showed significant tissue loss in the medio-caudal and antero-lateral aspects of CA1, and in medial section of its left head (pre- and para-subiculum). In the left amygdala and hippocampus, local tissue volumes were significantly correlated with negative symptoms. Tissue loss and altered morphology were found in elderly schizophrenia patients. Tissue loss mapped to amygdalo-hippocampal subregions known to have bidirectional and specific connections with frontal cortical and limbic structures and was related to clinical severity. Copyright © 2015 American Association for Geriatric Psychiatry. Published by Elsevier Inc. All rights reserved.

  7. Revisiting local structural changes in GeO2 glass at high pressure

    Science.gov (United States)

    Dong, Juncai; Yao, Hurong; Guo, Zhiying; Jia, Quanjie; Wang, Yan; An, Pengfei; Gong, Yu; Liang, Yaxiang; Chen, Dongliang

    2017-11-01

    Despite the great importance in fundamental and industrial fields, understanding structural changes for pressure-induced polyamorphism in network-forming glasses remains a formidable challenge. Here, we revisited the local structural transformations in GeO2 glass up to 54 GPa using x-ray absorption fine structure (XAFS) spectroscopy via a combination diamond anvil cell and polycapillary half-lens. Three polyamorphic transitions can be clearly identified by XAFS structure refinement. First, a progressive increase of the nearest Ge–O distance and bond disorder to a maximum at ~5–16 GPa, in the same pressure region of previously observed tetrahedral-octahedral transformation. Second, a marked decrease of the nearest Ge–O distance at ~16–22.6 GPa but a slight increase at ~22.6–32.7 GPa, with a concomitant decrease of bond disorder. This stage can be related to a second-order-like transition from less dense to dense octahedral glass. Third, another decrease in the nearest Ge–O distance at ~32.7–41.4 GPa but a slight increase up to 54 GPa, synchronized with a gradual increase of bond disorder. This stage provides strong evidence for ultrahigh-pressure polyamorphism with coordination number  >6. Furthermore, cooperative modification is observed in more distant shells. Those results provide a unified local structural picture for elucidating the polyamorphic transitions and densification process in GeO2 glass.

  8. Local population structure of Plasmodium: impact on malaria control and elimination

    Directory of Open Access Journals (Sweden)

    Chenet Stella M

    2012-12-01

    Full Text Available Abstract Background Regardless of the growing interest in detecting population structures in malarial parasites, there have been limited discussions on how to use this concept in control programmes. In such context, the effects of the parasite population structures will depend on interventions’ spatial or temporal scales. This investigation explores the problem of identifying genetic markers, in this case microsatellites, to unveil Plasmodium genetic structures that could affect decisions in the context of elimination. The study was performed in a low-transmission area, which offers a good proxy to better understand problems associated with surveillance at the final stages of malaria elimination. Methods Plasmodium vivax samples collected in Tumeremo, Venezuela, between March 2003 and November 2004 were analysed. Since Plasmodium falciparum also circulates in many low endemic areas, P. falciparum samples from the same locality and time period were included for comparison. Plasmodium vivax samples were assayed for an original set of 25 microsatellites and P. falciparum samples were assayed for 12 microsatellites. Results Not all microsatellite loci assayed offered reliable local data. A complex temporal-cluster dynamics is found in both P. vivax and P. falciparum. Such dynamics affect the numbers and the type of microsatellites required for identifying individual parasites or parasite clusters when performing cross-sectional studies. The minimum number of microsatellites required to differentiate circulating P. vivax clusters differs from the minimum number of hyper-variable microsatellites required to distinguish individuals within these clusters. Regardless the extended number of microsatellites used in P. vivax, it was not possible to separate all individual infections. Conclusions Molecular surveillance has great potential; however, it requires preliminary local studies in order to properly interpret the emerging patterns in the context of

  9. Local scale structures in Earth's thermospheric winds and their consequences for wind driven transport

    Science.gov (United States)

    Dhadly, Manbharat Singh

    In the traditional picture of Earth's upper thermosphere (~190--300 km), it is widely presumed that its convective stability and enormous kinematic viscosity attenuate wind gradients, and hence smooth out any structure present in the wind over scale size of several hundreds of kilometers. However, several independent experimental studies have shown that observed upper thermospheric wind fields at high latitudes contain stronger than expected local-scale spatial structures. The motivation of this dissertation is to investigate how the resulting local-scale gradients would distort neutral air masses and complicate thermospheric wind transport. To achieve this goal, we examined the behavior of a simple parameter that we refer to as the "distortion gradient". It incorporates all of the wind field's departures from uniformity, and is thus capable of representing all resulting contributions to the distortion or mixing of air masses. Climatological analysis of the distortion gradient using 2010, 2011, and 2012 wind data from the All-sky Scanning Doppler Imager (SDI) located at Poker Flat (65.12N, 147.47W) revealed the diurnal and seasonal trends in distortion of thermospheric masses. Distortion was observed to be dependent on geomagnetic activity and orientation of the interplanetary magnetic field. To understand the time-cumulative influence of these local-scale non-uniformities on thermospheric wind driven transport, time-resolved two-dimensional maps of the thermospheric vector wind fields were used to infer forward and backward air parcel trajectories. Tracing air parcel trajectories through a given geographic location indicates where they came from previously, and where they will go in the future. Results show that wind driven transport is very sensitive to small-scale details of the wind field. Any local-scale spatial wind gradients can significantly complicate air parcel trajectories. Transport of thermospheric neutral species in the presence of the local

  10. Assignment Confidence in Localization of the Hand Motor Cortex: Comparison of Structural Imaging With Functional MRI.

    Science.gov (United States)

    Sahin, Neslin; Mohan, Suyash; Maralani, Pejman J; Duddukuri, Srikalyan; O'Rourke, Donald M; Melhem, Elias R; Wolf, Ronald L

    2016-12-01

    The purpose of this study was to assign confidence levels to structural MRI and functional MRI (fMRI) for localization of the primary motor cortex. Ninety-one fMRI studies with at least one motor task (178 hemispheres) were identified. Three anatomic assessments were used to localize the primary motor cortex: relation between the superior frontal sulcus and precentral sulcus; cortical thickness; and configuration of the precentral knob. In 105 hemispheres, interreader agreement was assessed for two investigators with different experience levels. Confidence ratings from 0 to 5 (0, no confidence; 5, 100% confidence) were assigned for fMRI and each anatomic localization method. Cortical thickness had the highest confidence rating (mean, 4.90 ± 0.47 [SD]) with only one failure. The relation between the superior frontal sulcus and precentral sulcus had the lowest confidence rating (4.33 ± 0.91) with three failures. The greatest statistical significance was observed for the cortical thickness and superior frontal sulcus-precentral sulcus methods (post hoc Bonferroni test, p Confidence rating scores were significantly higher for the cortical thickness sign than for fMRI results (4.72 ± 0.54) for a single motor task (post hoc Bonferroni test, p = 0.006); however, the mean confidence rating for fMRI improved to 4.87 ± 0.36 when additional motor tasks were performed. Interreader differences were least for the cortical thickness sign (paired t test, t = 4.25, p confidence regarding localization of the primary motor cortex; however, localization of motor function is more specific when combined with fMRI findings. Multiple techniques can be used to increase confidence in identifying the hand motor cortex.

  11. Local structure of cobalt nanoparticles synthesized by high heat flux plasma process

    Science.gov (United States)

    Orpe, P. B.; Paris, E.; Balasubramanian, C.; Joseph, B.; Mukherjee, S.; Di Gioacchino, D.; Marcelli, A.; Saini, N. L.

    2017-08-01

    We have used high heat flux plasma synthesis process to grow Co those for the morphology, stoichiometry and the local structure as a function of plasma current. We find that the nanoparticles produced by the thermal plasma method have different shapes and size distribution with the plasma current being a key parameter in controlling the formation of composition, morphology and crystalline structure. X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements at Co K-edge have revealed formation of metal and metal oxide nanoparticles with the composition mainly depending on the arc current. While low plasma current appears to produce nanoparticles solely of CoO with a small amount of Co metal, the high plasma current tends to produce nanoparticles of CoO and Co3O4 oxides with increased amount of Co metal. The results are consistent with the morphological and structural analysis, showing nanoparticles of different shapes and size depending on the arc current.

  12. A Semi-rigorous Approach for Interaction Between Local and Global Buckling in Steel Structures

    DEFF Research Database (Denmark)

    Virdi, Kuldeep

    With an increasing trend towards the use of higher strength materials, members in steel structures become more slender. The cross-sectional plate elements of such members also become slender, triggering possible interaction between local buckling of the flange and web elements and the overall...... the rigorous analysis of such columns is carried out using numerical techniques such as the finite difference method, rapid solutions are obtained for an otherwise very complex problem. The paper includes a parametric study aimed at examining the design of stiffened plate elements such as those used in box-girders....

  13. MAIN LAND USE PLANNING APPROACHES TO STRUCTURAL ELEMENTS LOCAL ECOLOGICAL NETWORK

    Directory of Open Access Journals (Sweden)

    TretiakV.M.

    2016-08-01

    Full Text Available In modern conditions of social development, changes in land eco-system of economic relations in Ukraine, the problem of providing conditions for the creation of sustainable land use and creation of protected areas get the status of special urgency. Ideology establishment of ecological networks became logical continuation of environmental thought in general. Considering the methodological approach to the establishment of ecological networks we can constitute, that it is an environmental frame of spatial infrastructure, land conservation and environmental areas, major part of land is the basis of the structural elements of ecological network. Designing an ecological network is made through developing regional schemes of Econet formation, regional and local schemes for establishing an ecological network areas, settlements and other areas. Land Management uses design of structural elements of the ecological network in the village council, as a rule, begins with ecological and landscape mikrozonationof the village council, held during the preparatory work for the land drafting and finishing the formation of environmentally homogeneous regions, which represents the tied system components of ecological network, environmental measures in the form of local environmental restrictions (encumbrances to use land and other natural resources. Additionally, there are some project organization and territorial measures that increase the sustainability area, such as: key, binders, buffer areas and renewable ecological network. Land management projects on the formation of structural elements of ecological network as territorial restrictions (encumbrances in land are used within the territories Councils determined the location and size of land: - Protection zones around especially valuable natural objects of cultural heritage, meteorological stations, etc. in order to protect them from adverse human impacts; - Protection zones along telecommunication lines, power

  14. The polycentric structure of local labour markets in Mexico City's Metropolitan Area

    Directory of Open Access Journals (Sweden)

    José María Casado Izquierdo

    2012-11-01

    Full Text Available Commuting data at a district level and an algorithm designed to delineate self–contained areas show that Mexico City Metropolitan Area (MCMA was organized in 2007 in twelve local labour market areas. Although six exployment subcenters were identified, the MCMA is still clearly dominated by its Central Business District (CBD, being located the remaining five subcenters close to the CBD. Assessment of this spatial structure is not a positive one: diminishing co–location, decrease in speed and increase in commuting time and distance. Nevertheless, the rising percentage of intra–district commuting is a positive sign, even if this trend is not uniform throughout the metropolitan area.

  15. Structural Damage Localization by Outlier Analysis of Signal-processed Mode Shapes

    DEFF Research Database (Denmark)

    Ulriksen, Martin Dalgaard; Damkilde, Lars

    2016-01-01

    Contrary to global modal parameters such as eigenfrequencies, mode shapes inherently provide structural information on a local level. Therefore, this particular modal parameter and its derivatives are utilized extensively for damage identification. Typically, more or less advanced mathematical...... analysis is conducted by applying the Mahalanobis metric to major principal scores of the sensor-located bands of the signal-processed mode shape. The method is tested analytically on the basis of a free-vibrating beam and experimentally in the context of a residential-sized wind turbine blade subjected...

  16. Implantable polymer/metal thin film structures for the localized treatment of cancer by Joule heating

    Science.gov (United States)

    Kan-Dapaah, Kwabena; Rahbar, Nima; Theriault, Christian; Soboyejo, Wole

    2015-04-01

    This paper presents an implantable polymer/metal alloy thin film structure for localized post-operative treatment of breast cancer. A combination of experiments and models is used to study the temperature changes due to Joule heating by patterned metallic thin films embedded in poly-dimethylsiloxane. The heat conduction within the device and the surrounding normal/cancerous breast tissue is modeled with three-dimensional finite element method (FEM). The FEM simulations are used to explore the potential effects of device geometry and Joule heating on the temperature distribution and lesion (thermal dose). The FEM model is validated using a gel model that mimics biological media. The predictions are also compared to prior results from in vitro studies and relevant in vivo studies in the literature. The implications of the results are discussed for the potential application of polymer/metal thin film structures in hyperthermic treatment of cancer.

  17. Patterning of magnetic structures on austenitic stainless steel by local ion beam nitriding

    Energy Technology Data Exchange (ETDEWEB)

    Menendez, E. [Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain)], E-mail: enric.menendez@uab.es; Martinavicius, A.; Liedke, M.O.; Abrasonis, G.; Fassbender, J. [Institute of Ion Beam Physics and Materials Research, Forschungszentrum Dresden-Rossendorf, P.O. Box 510119, D-01314 Dresden (Germany); Sommerlatte, J. [Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle (Germany); Nielsch, K. [Institut fuer Angewandte Physik, Universitaet Hamburg, Jungiusstrasse 11, D-20355 Hamburg (Germany); Surinach, S.; Baro, M.D. [Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain); Nogues, J. [Institucio Catalana de Recerca i Estudis Avancats (ICREA) and Institut Catala de Nanotecnologia, Edifici CM7, Campus Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain); Sort, J. [Institucio Catalana de Recerca i Estudis Avancats (ICREA) and Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Spain)

    2008-10-15

    Periodic arrays of ferromagnetic structures with micrometer and submicrometer lateral sizes have been prepared at the surface of a paramagnetic austenitic stainless steel by means of ion beam nitriding through different types of shadow masks (such as transmission electron microscopy grids or self-assembled porous alumina membranes). This method takes advantage of the formation of the ferromagnetic supersaturated nitrogen solid solution {gamma}{sub N} phase (i.e., expanded austenite) upon nitriding at moderate temperatures. The local character of the induced ferromagnetism is confirmed by magneto-optical Kerr effect measurements together with magnetic force microscopy imaging. Furthermore, the influence of the nitriding temperature and time on the induced ferromagnetic and structural properties has been analyzed.

  18. The structure of filled skutterudites and the local vibration behavior of the filling atom

    Science.gov (United States)

    Zhou, Xiaojuan; Zong, Peng-an; Chen, Xihong; Tao, Juzhou; Lin, He

    2017-02-01

    Both of atomic pair distribution function (PDF) and extended x-ray absorption fine structure (EXAFS) experiments have been carried out on unfilled and Yb-filled skutterudites YbxCo4Sb12 (x=0, 0.15, 0.2 and 0.25) samples. The structure refinements on PDF data confirm the large amplitude vibration of Yb atom and the dependence of Yb vibration amplitude on the filling content. Temperature dependent EXAFS experiment on filled skutterudites have been carried out at Yb LⅢ-edge in order to explore the local vibration behavior of filled atom. EXAFS experiments show that the Einstein temperature of the filled atom is very low (70.9 K) which agrees with the rattling behavior.

  19. LOCAL STRUCTURE OF Eu^3+ IN BOROSILICATE GLASSES BY PHONON SIDEBAND SPECTRA

    OpenAIRE

    Zhidong, YAO; Yong, DING; Tokuro, NANBA; Yoshinari, MIURA; The Graduate School of Natural Science and Technology, Okayama University; Faculty of Environmental Science and Technology, Okayama University

    1998-01-01

    In xNa_2O・(40-x)B_2O_3・60SiO_2(mol%)(x=5, 10, 15, 20, 25, 30)glasses with 0.25mol% Eu_2O_3 as additive, the local structure around Eu^3+ was explored by employing the phonon sideband spectra of Eu^3+ associated with the ^5D_2←^7F_0 transition. It was found that the types and fraction of the structural units around Eu^3+ varied with glass composition. Moreover, the B-O vibrational mode of BO_3 unit exists around Eu^3+ when x ≨ 15, which is not present in the same composition glasses free o...

  20. The structure of filled skutterudites and the local vibration behavior of the filling atom

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xiaojuan [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zong, Peng-an [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Chen, Xihong [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Tao, Juzhou, E-mail: taoj@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); Lin, He, E-mail: linhe@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Science, Shanghai 201204 (China)

    2017-02-15

    Both of atomic pair distribution function (PDF) and extended x-ray absorption fine structure (EXAFS) experiments have been carried out on unfilled and Yb-filled skutterudites Yb{sub x}Co{sub 4}Sb{sub 12} (x=0, 0.15, 0.2 and 0.25) samples. The structure refinements on PDF data confirm the large amplitude vibration of Yb atom and the dependence of Yb vibration amplitude on the filling content. Temperature dependent EXAFS experiment on filled skutterudites have been carried out at Yb L{sub Ⅲ}-edge in order to explore the local vibration behavior of filled atom. EXAFS experiments show that the Einstein temperature of the filled atom is very low (70.9 K) which agrees with the rattling behavior.

  1. Particle drift in turbulent flows: the influence of local structure and inhomogeneity

    CERN Document Server

    Reeks, Michael W

    2012-01-01

    The way particles interact with turbulent structures, particularly in regions of high vorticity and strain rate, has been investigated in simulations of homogeneous turbulence and in simple flows which have a periodic or persistent structure e.g. separating flows and mixing layers. The influence on both settling under gravity and diffusion has been reported and the divergence (compressibility) of the underlying particle velocity field along a particle trajectory has been recognized as an important quantity in quantifying these features. This paper shows how these features can be incorporated in a formal way into a two-fluid model of the dispersed particle phase. In particular the PDF equation for the particle velocity and position is formerly derived on the basis of a stochastic process that involves the statistics of both the particle velocity and local compressibility along particle trajectories. The PDF equation gives rise to contributions to both the drift and particle diffusion coefficient that depend up...

  2. An efficient optimization method for structures with local non-linearity

    Directory of Open Access Journals (Sweden)

    Zheng Zhao-Li

    2016-01-01

    Full Text Available During the operation of turbines, one of the common accidents is due to the structure failure of blades. The contact model with strong non-linearity and time variation makes it difficult to be analyzed. In this paper, firstly, the contact model is described by using fractal theory. Secondly, the new method for the optimization of turbine blade is proposed, which is a kind of structure with local nonlinearity and multi degree of freedom. The method reduces the number of degrees of freedom by forming a new super element, which makes the linear part of turbine blade without repeated calculation in the non-linear iteration process. Therefore, it can shorten the calculation time and reduce the demand for computing resources. Finally, an optimization of the turbine blade is carried out, and the maximum equivalent stress reduces by 13.19%, which proves the effectiveness of the new optimization method.

  3. Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

    Science.gov (United States)

    Idrissi, Abdenacer; Marekha, Bogdan A.; Barj, Mohammed; Miannay, François Alexandre; Takamuku, Toshiyuki; Raptis, Vasilios; Samios, Jannis; Jedlovszky, Pál

    2017-06-01

    The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process of proteins and amino acids. Classical MD simulations, using the potential model combination that best reproduces the free energy of mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are observed around the DMSO mole fraction of 0.1. The array of evidence, based on the cluster and the metric and topological parameters of the Voronoi polyhedra distributions, indicates that these changes are associated with the simultaneous increase of the number of DMSO-water and decrease of water-water hydrogen bonds with increasing DMSO concentration. The inversion between the dominance of these two types of H-bonds occurs around XDMSO = 0.1, above which the DMSO-DMSO interactions also start playing an important role. In other words, below the DMSO mole fraction of 0.1, DMSO molecules are mainly solvated by water molecules, while above it, their solvation shell consists of a mixture of water and DMSO. The trigonal, tetrahedral, and trigonal bipyramidal distributions of water shift to lower corresponding order parameter values indicating the loosening of these orientations. Adding DMSO does not affect the hydrogen bonding between a reference water molecule and its first neighbor hydrogen bonded water molecules, while it increases the bent hydrogen bond geometry involving the second ones. The close-packed local structure of the third, fourth, and fifth water neighbors also is reinforced. In accordance with previous theoretical and experimental data, the hydrogen bonding between water and the first, the second, and the third DMSO neighbors is stronger than that with its corresponding water neighbors. At a given DMSO mole fraction, the

  4. Local structure based method for prediction of the biochemical function of proteins: Applications to glycoside hydrolases.

    Science.gov (United States)

    Parasuram, Ramya; Mills, Caitlyn L; Wang, Zhouxi; Somasundaram, Saroja; Beuning, Penny J; Ondrechen, Mary Jo

    2016-01-15

    Thousands of protein structures of unknown or uncertain function have been reported as a result of high-throughput structure determination techniques developed by Structural Genomics (SG) projects. However, many of the putative functional assignments of these SG proteins in the Protein Data Bank (PDB) are incorrect. While high-throughput biochemical screening techniques have provided valuable functional information for limited sets of SG proteins, the biochemical functions for most SG proteins are still unknown or uncertain. Therefore, computational methods for the reliable prediction of protein function from structure can add tremendous value to the existing SG data. In this article, we show how computational methods may be used to predict the function of SG proteins, using examples from the six-hairpin glycosidase (6-HG) and the concanavalin A-like lectin/glucanase (CAL/G) superfamilies. Using a set of predicted functional residues, obtained from computed electrostatic and chemical properties for each protein structure, it is shown that these superfamilies may be sorted into functional families according to biochemical function. Within these superfamilies, a total of 18 SG proteins were analyzed according to their predicted, local functional sites: 13 from the 6-HG superfamily, five from the CAL/G superfamily. Within the 6-HG superfamily, an uncharacterized protein BACOVA_03626 from Bacteroides ovatus (PDB 3ON6) and a hypothetical protein BT3781 from Bacteroides thetaiotaomicron (PDB 2P0V) are shown to have very strong active site matches with exo-α-1,6-mannosidases, thus likely possessing this function. Also in this superfamily, it is shown that protein BH0842, a putative glycoside hydrolase from Bacillus halodurans (PDB 2RDY), has a predicted active site that matches well with a known α-L-galactosidase. In the CAL/G superfamily, an uncharacterized glycosyl hydrolase family 16 protein from Mycobacterium smegmatis (PDB 3RQ0) is shown to have local structural

  5. Local structure-based region-of-interest retrieval in brain MR images.

    Science.gov (United States)

    Unay, Devrim; Ekin, Ahmet; Jasinschi, Radu S

    2010-07-01

    The aging population and the growing amount of medical data have increased the need for automated tools in the neurology departments. Although the researchers have been developing computerized methods to help the medical expert, these efforts have primarily emphasized to improve the effectiveness in single patient data, such as computing a brain lesion size. However, patient-to-patient comparison that should help improve diagnosis and therapy has not received much attention. To this effect, this paper introduces a fast and robust region-of-interest retrieval method for brain MR images. We make the following various contributions to the domains of brain MR image analysis, and search and retrieval system: 1) we show the potential and robustness of local structure information in the search and retrieval of brain MR images; 2) we provide analysis of two complementary features, local binary patterns (LBPs) and Kanade-Lucas-Tomasi feature points, and their comparison with a baseline method; 3) we show that incorporating spatial context in the features substantially improves accuracy; and 4) we automatically extract dominant LBPs and demonstrate their effectiveness relative to the conventional LBP approach. Comprehensive experiments on real and simulated datasets revealed that dominant LBPs with spatial context is robust to geometric deformations and intensity variations, and have high accuracy and speed even in pathological cases. The proposed method can not only aid the medical expert in disease diagnosis, or be used in scout (localizer) scans for optimization of acquisition parameters, but also supports low-power handheld devices.

  6. The Sustainability of Global Chain Governance: Network Structures and Local Supplier Upgrading in Thailand

    Directory of Open Access Journals (Sweden)

    Sungchul Cho

    2016-09-01

    Full Text Available Although it has been widely accepted that insertion into global production networks may play a critical role in fostering local supplier upgrading, scholars have yet to fully incorporate heterogeneous configurations of buyer-supplier relationships within networks into empirical testing. Using a representative sample of manufacturing firms in Thailand, we propose a more nuanced empirical framework that asks which features of buyer-supplier relationships are related to which aspects of local supplier upgrading. Our findings, derived from latent class analysis, show that the ways value chains are governed can exert varying effects on different types of technological upgrading. Being a multinational corporation (MNC supplier was found to have positive effects on process and minor product upgrading, irrespective of the types of buyer-supplier networks. However, we found a more radical type of upgrading (i.e., the development of own brands to be negatively related to insertion into ‘quasi-hierarchical’ or ‘buyer-driven relationships’, whilst involvement in ‘cooperative networks’ was associated with a significantly higher tendency of product and brand upgrading. Understanding this inherent relationality provides a crucial balance to previous firm-level findings, suggesting that the sustainability of participation in global value chains depends on the relational structures in which local manufacturers are embedded.

  7. Evolution of local structure along pathlines in a turbulent round jet

    Science.gov (United States)

    Mathew, Joseph

    2017-11-01

    Studies of the velocity gradient tensor (VGT) have revealed several features of the local structure of flows. In homogeneous, isotropic turbulence, conditional mean trajectories in the phase space of 2nd and 3rd invariants (Q and R) of the VGT spiral clockwise to the origin (Ooi et al., 1998). Local topologies change from sheets to stretching vortices to compressing ones, repeatedly. In this study, the evolution of many fluid particles were computed alongside a temporal DNS of a round jet. Trajectories in Q- R space from successive positions along fluid pathlines were found to be qualitatively different from the conditional mean trajectories found earlier. Large departures occur in the 2nd and 1st quadrants of Q- R space. The implied local topology is focal-that of stretching and compressing vortices; dissipation was large, arising from changes to vortex stretching. On these selected curves large changes to Q occur almost all the time. Membership is pending with reciprocal society (Indian Physics Association) not APS.

  8. The effects of resource enrichment, dispersal, and predation on local and metacommunity structure.

    Science.gov (United States)

    Cadotte, Marc W; Fortner, Allison M; Fukami, Tadashi

    2006-08-01

    Community structure is the observable outcome of numerous processes. We conducted a laboratory experiment using a microbial model system to disentangle effects of nutrient enrichment, dispersal, and predation on prey species richness and predator abundance at local and metacommunity scales. Prey species included: Chilomonas sp., Colpidium striatum, Colpoda cucullus, Paramecium tetraurelia, P. caudatum, Philodina sp., Spirostomum sp., Tetrahymena thermophila, and Uronema sp., and Stentor coeruleus was the predator used. We hypothesized that: (1) increased basal resources should maintain greater species richness and higher predator abundance; (2) dispersal should maintain greater species richness; and (3) predation should reduce species richness, especially in the high resource treatments relative to no-predator treatments. Our results support all three hypotheses. Further, we show that dispersal affects richness at the local community scale but not at the metacommunity scale. However, predation seems to have major effects at both the local and metacommunity scale. Overall, our results show that effects of resource enrichment, dispersal, and predation were mostly additive rather than interactive, indicating that it may be sometimes easier to understand their effects than generally thought due to complex interactive effects.

  9. Local and global semantic integration in an argument structure: ERP evidence from Korean.

    Science.gov (United States)

    Nam, Yunju; Hong, Upyong

    2016-07-01

    The neural responses of Korean speakers were recorded while they read sentences that included local semantic mismatch between adjectives (A) and nouns (N) or/and global semantic mismatch between object nouns (N) and verbs (V), as well as the corresponding control sentences without any semantic anomalies. In Experiment 1 using verb-final declarative sentences (Nsubject [A-N]object V), the local A-N incongruence yielded an N400 effect at the object noun and a combination of N400 and a late negativity effect at the sentence final verb, whereas the global N-V incongruence yielded a biphasic N400 and P600 ERP pattern at the verb compared with the ERPs of same words in the control sentences respectively; in Experiment 2 using verb-initial object relative clause constructions ([Nsubject _V]rel [A-N]object …..) derived from the materials of Experiment 1, the effect of local incongruence changed notably such that not only an N400 but also an additional P600 effect was observed at the object noun, whereas the effect of the global incongruence remained largely the same (N400 and P600). Our theoretical interpretation of these results specifically focused on the reason for the P600 effects observed across different experiment conditions, which turned out to be attributable to (i) coordination of a semantic conflict, (ii) prediction disconfirmation, or (iii) argument structure processing breakdown. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Local Climate Heterogeneity Shapes Population Genetic Structure of Two Undifferentiated Insular Scutellaria Species.

    Science.gov (United States)

    Hsiung, Huan-Yi; Huang, Bing-Hong; Chang, Jui-Tse; Huang, Yao-Moan; Huang, Chih-Wei; Liao, Pei-Chun

    2017-01-01

    Spatial climate heterogeneity may not only affect adaptive gene frequencies but could also indirectly shape the genetic structure of neutral loci by impacting demographic dynamics. In this study, the effect of local climate on population genetic variation was tested in two phylogenetically close Scutellaria species in Taiwan. Scutellaria taipeiensis, which was originally assumed to be an endemic species of Taiwan Island, is shown to be part of the widespread species S. barbata based on the overlapping ranges of genetic variation and climatic niches as well as their morphological similarity. Rejection of the scenario of "early divergence with secondary contact" and the support for multiple origins of populations of S. taipeiensis from S. barbata provide strong evolutionary evidence for a taxonomic revision of the species combination. Further tests of a climatic effect on genetic variation were conducted. Regression analyses show nonlinear correlations among any pair of geographic, climatic, and genetic distances. However, significantly, the bioclimatic variables that represent the precipitation from late summer to early autumn explain roughly 13% of the genetic variation of our sampled populations. These results indicate that spatial differences of precipitation in the typhoon season may influence the regeneration rate and colonization rate of local populations. The periodic typhoon episodes explain the significant but nonlinear influence of climatic variables on population genetic differentiation. Although, the climatic difference does not lead to species divergence, the local climate variability indeed impacts the spatial genetic distribution at the population level.

  11. Waveform inversion for localized seismic structure and its application to D

    Science.gov (United States)

    Kawai, K.; Geller, R. J.; Fuji, N.; Konishi, K.

    2008-12-01

    In order to fully extract information on localized seismic structure from observed seismic data, we have developed a methodology for seismic waveform inversion. The calculation of synthetic seismograms and their partial derivatives are the key steps in such an inversion. We have developed accurate and efficient methods for calculating broadband synthetic seismograms for spherically symmetric transversely isotropic media for both shallow and deep events, which allows us to compute synthetics up to 2 Hz or higher frequencies (Kawai et al. 2006, GJI). Then, wWe formulate the inverse problem of waveform inversion for localized structure using the efficient algorithm of Geller and Hara (1993), computing partial derivatives for the 3-D anisotropic elastic parameters, including anelasticity, at particular points in space. Our method allows us to conduct both local and multi-scale global waveform inversion using pixel (or local shell) parameterization. We previouslyhave conducted waveform inversion for the vertical profile of the shear velocity in the lowermost mantle beneath Central America and the Arctic, beneath which the shear velocity is faster than the global average (Kawai et al., 2007ab, GRL). The obtained models suggest that the S-velocity increase in D'' may be localized in the zone from 100-200 km above the core-mantle boundary (CMB), while the S-velocity does not significantly deviate from PREM in the zone from 0-100 km above the CMB. In this studywork, we studied D'' beneath the Pacific, where the S-velocity is supposed thought to be slower than the global average on the basis of by many tomographic studies. models (e.g. Takeuchi 2007). We use the transverse component of broadband waveforms (for the period range, 8- 200 s). observed waveforms. We found 1-1.5% velocity decreases and increases in the zones from 400-500 km and from 300-400 km above the CMB, respectively. In addition, we found 0.5-1% velocity increases and decreases in the zones from 100-200 km

  12. "SP-G", a putative new surfactant protein--tissue localization and 3D structure.

    Directory of Open Access Journals (Sweden)

    Felix Rausch

    Full Text Available Surfactant proteins (SP are well known from human lung. These proteins assist the formation of a monolayer of surface-active phospholipids at the liquid-air interface of the alveolar lining, play a major role in lowering the surface tension of interfaces, and have functions in innate and adaptive immune defense. During recent years it became obvious that SPs are also part of other tissues and fluids such as tear fluid, gingiva, saliva, the nasolacrimal system, and kidney. Recently, a putative new surfactant protein (SFTA2 or SP-G was identified, which has no sequence or structural identity to the already know surfactant proteins. In this work, computational chemistry and molecular-biological methods were combined to localize and characterize SP-G. With the help of a protein structure model, specific antibodies were obtained which allowed the detection of SP-G not only on mRNA but also on protein level. The localization of this protein in different human tissues, sequence based prediction tools for posttranslational modifications and molecular dynamic simulations reveal that SP-G has physicochemical properties similar to the already known surfactant proteins B and C. This includes also the possibility of interactions with lipid systems and with that, a potential surface-regulatory feature of SP-G. In conclusion, the results indicate SP-G as a new surfactant protein which represents an until now unknown surfactant protein class.

  13. Local atomic and electronic structure of boron chemical doping in monolayer graphene.

    Science.gov (United States)

    Zhao, Liuyan; Levendorf, Mark; Goncher, Scott; Schiros, Theanne; Pálová, Lucia; Zabet-Khosousi, Amir; Rim, Kwang Taeg; Gutiérrez, Christopher; Nordlund, Dennis; Jaye, Cherno; Hybertsen, Mark; Reichman, David; Flynn, George W; Park, Jiwoong; Pasupathy, Abhay N

    2013-10-09

    We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per dopant. Density functional theory calculations indicate that boron dopants interact strongly with the underlying copper substrate while nitrogen dopants do not. The local bonding differences between graphitic boron and nitrogen dopants lead to large scale differences in dopant distribution. The distribution of dopants is observed to be completely random in the case of boron, while nitrogen displays strong sublattice clustering. Structurally, nitrogen-doped graphene is relatively defect-free while boron-doped graphene films show a large number of Stone-Wales defects. These defects create local electronic resonances and cause electronic scattering, but do not electronically dope the graphene film.

  14. Local amygdala structural differences with 3T MRI in patients with Alzheimer disease.

    Science.gov (United States)

    Cavedo, E; Boccardi, M; Ganzola, R; Canu, E; Beltramello, A; Caltagirone, C; Thompson, P M; Frisoni, G B

    2011-02-22

    Histologic studies show that the amygdala is affected by Alzheimer disease (AD) pathology, and its medial aspect is the most involved. We aimed to assess in vivo local structural differences in the amygdala of patients with AD using high-field MRI. A total of 19 patients with AD (mean age 76, SD 6 years, mean Mini-Mental State Examination score [MMSE] 13, SD 4) and 19 healthy elderly controls (age 74, SD 5, MMSE 29, SD 1) were enrolled. The radial atrophy mapping technique was used to reconstruct the 3-dimensional surface of the amygdala. Maps of surface tissue loss in patients with AD vs controls were computed and statistically tested with permutation tests thresholded at p mapped in the medial and central nuclei. Ventrally, the lateral nucleus (La) and the basolateral ventral medial nucleus (BLVM) were also involved (20%-30% loss). We found in vivo local structural differences in the amygdala of patients with AD. The nuclei involved have known connections to the hippocampus (BLVM, La) and olfactory system (medial nucleus) and with cholinergic pathways (central nucleus). This pattern is consistent with the known pathophysiology of neural systems affected by AD.

  15. Effects of the local resonance on the wave propagation in periodic frame structures: generalized Newtonian mechanics.

    Science.gov (United States)

    Chesnais, Céline; Boutin, Claude; Hans, Stéphane

    2012-10-01

    This work is devoted to the study of the wave propagation in infinite two-dimensional structures made up of the periodic repetition of frames. Such materials are highly anisotropic and, because of lack of bracing, can present a large contrast between the shear and compression deformabilities. Moreover, when the thickness to length ratio of the frame elements is small, these elements can resonate in bending at low frequencies when compressional waves propagate in the structure. The frame size being small compared to the wavelength of the compressional waves, the homogenization method of periodic discrete media is extended to situations with local resonance, and it is applied to identify the macroscopic behavior at the leading order. In particular, the local resonance in bending leads to an effective mass different from the real mass and to the generalization of the Newtonian mechanics at the macroscopic scale. Consequently, compressional waves become dispersive and frequency bandgaps occur. The physical origin of these phenomena at the microscopic scale is also presented. Finally, a method is proposed for the design of such materials.

  16. 3D Velocity Structure in Southern Haiti from Local Earthquake Tomography

    Science.gov (United States)

    Douilly, R.; Ellsworth, W. L.; Kissling, E. H.; Freed, A. M.; Deschamps, A.; de Lepinay, B. M.

    2016-12-01

    We investigate 3D local earthquake tomography for high-quality travel time arrivals from aftershocks following the 2010 M7.0 Haiti earthquake on the Léogâne fault. The data were recorded by 35 stations, including 19 ocean bottom seismometers, from which we selected 595 events to simultaneously invert for hypocenter location and 3D Vp and Vs velocity structures in southern Haiti. We performed several resolution tests and concluded that clear features can be recovered to a depth of 15 km. At 5km depth we distinguish a broad low velocity zone in the Vp and Vs structure offshore near Gonave Island, which correlate with layers of marine sediments. Results show a pronounced low velocity zone in the upper 5 km across the city of Léogâne, which is consistent with the sedimentary basin location from geologic map. At 10 km depth, we detect a low velocity anomaly offshore near the Trois Baies fault and a NW-SE directed low velocity zone onshore across Petit-Goâve and Jacmel, which is consistent with a suspected fault from a previous study and that we refer to it in our study as the Petit-Goâve-Jacmel fault (PGJF). These observations suggest that low velocity structures delineate fault structures and the sedimentary basins across the southern peninsula, which is extremely useful for seismic hazard assessment in Haiti.

  17. Director Field Analysis (DFA): Exploring Local White Matter Geometric Structure in Diffusion MRI.

    Science.gov (United States)

    Cheng, Jian; Basser, Peter J

    2017-10-11

    In Diffusion Tensor Imaging (DTI) or High Angular Resolution Diffusion Imaging (HARDI), a tensor field or a spherical function field (e.g., an orientation distribution function field), can be estimated from measured diffusion weighted images. In this paper, inspired by the microscopic theoretical treatment of phases in liquid crystals, we introduce a novel mathematical framework, called Director Field Analysis (DFA), to study local geometric structural information of white matter based on the reconstructed tensor field or spherical function field: (1) We propose a set of mathematical tools to process general director data, which consists of dyadic tensors that have orientations but no direction. (2) We propose Orientational Order (OO) and Orientational Dispersion (OD) indices to describe the degree of alignment and dispersion of a spherical function in a single voxel or in a region, respectively; (3) We also show how to construct a local orthogonal coordinate frame in each voxel exhibiting anisotropic diffusion; (4) Finally, we define three indices to describe three types of orientational distortion (splay, bend, and twist) in a local spatial neighborhood, and a total distortion index to describe distortions of all three types. To our knowledge, this is the first work to quantitatively describe orientational distortion (splay, bend, and twist) in general spherical function fields from DTI or HARDI data. The proposed DFA and its related mathematical tools can be used to process not only diffusion MRI data but also general director field data, and the proposed scalar indices are useful for detecting local geometric changes of white matter for voxel-based or tract-based analysis in both DTI and HARDI acquisitions. The related codes and a tutorial for DFA will be released in DMRITool. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Li-Ion Localization and Energetics as a Function of Anode Structure.

    Science.gov (United States)

    McNutt, Nicholas W; McDonnell, Marshall; Rios, Orlando; Keffer, David J

    2017-03-01

    In this work, we study the effect of carbon composite anode structure on the localization and energetics of Li-ions. A computational molecular dynamics study is combined with experimental results from neutron scattering experiments to understand the effect of composite density, crystallite size, volume fraction of crystalline carbon, and ion loading on the nature of ion storage in novel, lignin-derived composite materials. In a recent work, we demonstrated that these carbon composites display a fundamentally different mechanism for Li-ion storage than traditional graphitic anodes. The edges of the crystalline and amorphous fragments of aromatic carbon that exist in these composites are terminated by hydrogen atoms, which play a crucial role in adsorption. In this work, we demonstrate how differences in composite structure due to changes in the processing conditions alter the type and extent of the interface between the amorphous and crystalline domains, thus impacting the nature of Li-ion storage. The effects of structural properties are evaluated using a suite of pair distribution functions as well as an original technique to extract archetypal structures, in the form of three-dimensional atomic density distributions, from highly disordered systems. The energetics of Li-ion binding are understood by relating changes in the energy and charge distributions to changes in structural properties. The distribution of Li-ion energies reveals that some structures lead to greater chemisorption, while others have greater physisorption. Carbon composites with a high volume fraction of small crystallites demonstrate the highest ion storage capacity because of the high interfacial area between the crystalline and amorphous domains. At these interfaces, stable H atoms, terminating the graphitic crystallites, provide favorable sites for reversible Li adsorption.

  19. Local and average structure of Mn- and La-substituted BiFeO 3

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Bo; Selbach, Sverre M.

    2017-06-01

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.

  20. Structural inheritance, segmentation, and rift localization in the Gulf of Aden oblique rift

    Science.gov (United States)

    Bellahsen, Nicolas; Leroy, Sylvie; Autin, Julia; d'Acremont, Elia; Razin, Philippe; Husson, Laurent; Pik, Raphael; Watremez, Louise; Baurion, Celine; Beslier, Marie-Odile; Khanbari, Khaled; Ahmed, Abdulhakim

    2013-04-01

    The structural evolution of the Gulf of Aden passive margins was controlled by its oblique divergence kinematics, inherited structures, and the Afar hot spot. The rifting between Arabia and Somalia started at 35 Ma just before the hot spot paroxysm (at 30Ma) and lasted until 18Ma, when oceanic spreading started. Fieldwork suggests that rift parallel normal faults initiated in the (future) distal margins, after a first stage of distributed rifting, and witness the rift localization, as confirmed by 4-layer analogue models. These faults arise either from crust or lithosphere scale buoyancy forces that are strongly controlled by the mantle temperature under the influence of the Afar hot spot. This implies a transition from a distributed mode to a localized one, sharper, both in space and time, in the West (close to the hot spot) than in the East (far away from the hot spot). In this framework, first order transform F.Z. are here (re-) defined by the fact that they deform continental crust. In the Gulf of Aden, as well as in other continental margins, it appears that these F.Z. are often, if not always, located at continental transfer or "transform" fault zones. Our detailed field-study of an offshore transfer fault zone in the southeastern Gulf of Aden (Socotra Island) shows that these structures are long-lived since early rifting until post rift times. During the early rifting, they are inherited structures reactivated as oblique normal faults before accommodating strike-slip motion. During the Ocean-Continent Transition (OCT) formation ("post syn-rift" times), a significant uplift occurred in the transfer fault zone footwall as shown by stratigraphic and LT thermochronology data. Second order transform F.Z. are defined as deforming only the OCT, thus initiated at the moment of its formation. In the western Gulf of Aden, the hot spot provoked a rift localization strongly oblique to the divergence and, as a consequence, several second order transform F.Z. formed (as

  1. Local probing of structure and property in dimensionally confined amorphous and crystalline structures by S/TEM

    Science.gov (United States)

    Yan, Aiming

    The characterization of materials' microstructure has been brought up to a new level since the invention and broad application of transmission electron microscope (TEM) thanks to the high-energy electron beam source which guarantees an unsurpassable spatial resolution and theoretical study of interaction between electron and matter. The advent of nano-world has imposed an urgent request to characterize nano-assemblies in nano- or even sub-nano-scale and scanning transmission electron microscopy (STEM) which typically utilizes an electron probe with a size of 1nm or even smaller has found its unique advantage to unravel the local structure, chemical and physical properties of these emerging nanostructures. Dimensionally constrained nanostructures such as thin films and nanopatterned systems have attracted people's attention for decades due to their novel chemical and physical properties and popularity in energy storage, biological integration and etc. This dissertation focuses on the unique characterization capability of S/TEM to study the local order in amorphous transparent conducting oxide thin films, disordering in 2-D layered materials, localized surface plasmons in nanoporous gold patterns on 2-D layered structures and crystallization process in dimensionally and spatially constrained oxide nanopatterns observed by in-situ TEM. Electron diffraction and x-ray diffraction are commonly used techniques to study the crystallinity in a certain material - crystalline or amorphous. In amorphous materials which lack long-range order, normal electron diffraction and x-ray diffraction techniques won't be able to extract any useful information regarding the ordering or disordering in the materials. We have developed a unique set of electron diffraction methods in both TEM and STEM, combined with density functional theory molecular dynamics of liquid quench to study the short-range (< 1 nm) and medium-range order (between 1 nm and 3 nm) in amorphous transparent oxide films

  2. Small but powerful: top predator local extinction affects ecosystem structure and function in an intermittent stream.

    Directory of Open Access Journals (Sweden)

    Pablo Rodríguez-Lozano

    Full Text Available Top predator loss is a major global problem, with a current trend in biodiversity loss towards high trophic levels that modifies most ecosystems worldwide. Most research in this area is focused on large-bodied predators, despite the high extinction risk of small-bodied freshwater fish that often act as apex consumers. Consequently, it remains unknown if intermittent streams are affected by the consequences of top-predators' extirpations. The aim of our research was to determine how this global problem affects intermittent streams and, in particular, if the loss of a small-bodied top predator (1 leads to a 'mesopredator release', affects primary consumers and changes whole community structures, and (2 triggers a cascade effect modifying the ecosystem function. To address these questions, we studied the top-down effects of a small endangered fish species, Barbus meridionalis (the Mediterranean barbel, conducting an enclosure/exclosure mesocosm experiment in an intermittent stream where B. meridionalis became locally extinct following a wildfire. We found that top predator absence led to 'mesopredator release', and also to 'prey release' despite intraguild predation, which contrasts with traditional food web theory. In addition, B. meridionalis extirpation changed whole macroinvertebrate community composition and increased total macroinvertebrate density. Regarding ecosystem function, periphyton primary production decreased in apex consumer absence. In this study, the apex consumer was functionally irreplaceable; its local extinction led to the loss of an important functional role that resulted in major changes to the ecosystem's structure and function. This study evidences that intermittent streams can be affected by the consequences of apex consumers' extinctions, and that the loss of small-bodied top predators can lead to large ecosystem changes. We recommend the reintroduction of small-bodied apex consumers to systems where they have been

  3. DGCR8 Localizes to the Nucleus as well as Cytoplasmic Structures in Mammalian Spermatogenic Cells and Epididymal Sperm

    Directory of Open Access Journals (Sweden)

    Akane Nakano

    2013-01-01

    Full Text Available The localization of DGCR8 in spermatogenic cells and sperm from rat and mouse was studied by immunofluorescence and immunoelectron microscopy. Spermatogenic cells from these species yielded similar DGCR8 localization pattern. Immunofluorescence microscopy results showed that DGCR8 localized to both the cytoplasm and nucleus. In the cytoplasm, diffuse cytosolic and discrete granular staining was observed. Dual staining showed that DGCR8 colocalized to the granules with MAEL (a nuage marker. In the nucleus of spermatocytes, both the nucleoli and nucleoplasm were stained, whereas in the nucleus of early spermatids small spots were stained. In late spermatids, DGCR8 localized to the tip of their head and to small granules (neck granules of the neck cytoplasm. The neck granules were also observed in the neck of epididymal sperm. Immunoelectron microscopy results showed that DGCR8 localized to nuage structures. Moreover, DGCR8 localized to nonnuage structures in late spermatids. DGCR8 also localized to the nucleolus and euchromatin in spermatocytes and round spermatids and to small granules in the nucleus of late spermatids. The results suggest that in spermatogenic cells DGCR8 localizes not only to the nuclei but also to the cytoplasmic structures such as nuage and nonnuage structures. Furthermore, DGCR8 seems to be imported into the egg with neck granules in sperm during fertilization.

  4. Participatory Government and the Challenge of inclusion: The case of Local Government Structures in Post Apartheid South Africa.

    Directory of Open Access Journals (Sweden)

    Ralph Mathekga

    2006-06-01

    Full Text Available Local government structures are believed to be the essence of participatory democracy. It is through local government that citizens come into direct contact with their elected government, as power flows from national to local government. It is against this backdrop that the new local government structures were adopted in South Africa: as a measure to extend democracy to the larger citizenry. However, local government structures have not been able to live up to expectations, as they are generally characterized by sluggishness in terms of service delivery; failure to attract community participation; and, lately—towards the run-up of March 1 2006 local elections—mass protests and uprisings against these problems.The problem has been explained in terms of lack of capacity and technical know-how. This paper aims to go beyond such explanations, and argues that the local government “mayhem” has to do with structural limitations when it comes to drawing citizens’ participation.Thus, in addition to lack of capacity, there is a problem of exclusion which undermines local government.

  5. A Comparison Study of Extreme Learning Machine and Least Squares Support Vector Machine for Structural Impact Localization

    OpenAIRE

    Qingsong Xu

    2014-01-01

    Extreme learning machine (ELM) is a learning algorithm for single-hidden layer feedforward neural network dedicated to an extremely fast learning. However, the performance of ELM in structural impact localization is unknown yet. In this paper, a comparison study of ELM with least squares support vector machine (LSSVM) is presented for the application on impact localization of a plate structure with surface-mounted piezoelectric sensors. Both basic and kernel-based ELM regression models have b...

  6. Social structure emerges via the interaction between local ecology and individual behaviour.

    Science.gov (United States)

    Tanner, Colby J; Jackson, Andrew L

    2012-01-01

    1. The formation of groups is a fundamental aspect of social organization, but there are still many questions regarding how social structure emerges from individuals making non-random associations. 2. Although food distribution and individual phenotypic traits are known to separately influence social organization, this is the first study, to our knowledge, experimentally linking them to demonstrate the importance of their interaction in the emergence of social structure. 3. Using an experimental design in which food distribution was either clumped or dispersed, in combination with individuals that varied in exploratory behaviour, our results show that social structure can be induced in the otherwise non-social European shore crab (Carcinus maenas). 4. Regardless of food distribution, individuals with relatively high exploratory behaviour played an important role in connecting otherwise poorly connected individuals. In comparison, low exploratory individuals aggregated into cohesive, stable subgroups (moving together even when not foraging), but only in tanks where resources were clumped. No such non-foraging subgroups formed in environments where food was evenly dispersed. 5. Body size did not accurately explain an individual's role within the network for either type of food distribution. 6. Because of their synchronized movements and potential to gain social information, groups of low exploratory crabs were more effective than singletons at finding food. 7. Because social structure affects selection, and social structure is shown to be sensitive to the interaction between ecological and behavioural differences among individuals, local selective pressures are likely to reflect this interaction. © 2011 The Authors. Journal of Animal Ecology © 2011 British Ecological Society.

  7. Measuring the authority of local public health directors in the context of organizational structure: an exploratory, multimodal approach.

    Science.gov (United States)

    Miner Gearin, Kimberly J; Thrash, Allison M Rick; Frauendienst, Renee; Myhre, Julie; Gyllstrom, M Elizabeth; Riley, William J; Schroeder, Janelle

    2012-11-01

    Studies have reported a relationship between the organization of public health services and variability in public health practice at the local and state levels. A national research agenda has prioritized practice-based research to understand pathways that lead to this variation and examine the impact of these differences on outcomes. To measure the extent to which Minnesota local health directors report having key authorities and examine the relationship between organizational structure and authority of local health directors. : Multimodal. Minnesota local health departments. Directors of Minnesota local health departments. Director authorities. Most Minnesota local health directors reported having 6 key authorities related to budget preparation and modification and interaction with local elected officials (n = 51, 71%). Twelve directors (16%) reported that they have 4 or fewer of the 6 authorities. The authority most commonly reported as lacking was the authority to initiate communication with locally elected officials (n = 15, 21%). The percentage of directors who reported having all 6 authorities was higher among those in stand-alone departments (82%) than those in combined organizations (50%). This descriptive study illustrates that emerging practice-based research networks can successfully collaborate on small-scale research projects with immediate application for systems development. Study findings are being used by local public health officials to help articulate their role, aid in succession planning, and inform elected officials, who need to consider the public health implications of potential changes to local public health governance and organization. More studies are needed to refine measurement of authority and structure.

  8. Local structure and oxide-ion conduction mechanism in apatite-type lanthanum silicates.

    Science.gov (United States)

    Masson, Olivier; Berghout, Abid; Béchade, Emilie; Jouin, Jenny; Thomas, Philippe; Asaka, Toru; Fukuda, Koichiro

    2017-01-01

    The local structure of apatite-type lanthanum silicates of general formula La9.33+x(SiO4)6O2+3x/2 has been investigated by combining the atomic pair distribution function (PDF) method, conventional X-ray and neutron powder diffraction (NPD) data and density functional theory (DFT) calculations. DFT was used to build structure models with stable positions of excess oxide ions within the conduction channel. Two stable interstitial positions were obtained in accordance with literature, the first one located at the very periphery of the conduction channel, neighbouring the SiO4 tetrahedral units, and the second one closer to the channel axis. The corresponding PDFs and average structures were then calculated and tested against experimental PDFs obtained by X-ray total scattering and NPD Rietveld refinements results gathered from literature. It was shown that of the two stable interstitial positions obtained with DFT only the second one located within the channel is consistent with experimental data. This result consolidates one of the two main conduction mechanisms along the c-axis reported in the literature, namely the one involving cooperative movement of O4 and Oi ions.

  9. Tracer Shape and Local Media Structure Determine the Trend of Translation-Rotation Decoupling in Two-Dimensional Colloids.

    Science.gov (United States)

    Kim, Jeongmin; Sung, Bong June

    2015-10-09

    The translational diffusion of tracers in glass-forming materials often violates the Stokes-Einstein relation while their rotation follows the Debye-Stokes-Einstein relation faithfully, thus decoupling translational and rotational diffusion. In this Letter, we show by performing molecular dynamics simulations for two-dimensional (2D) colloids that the tracer shape and the local media structure are critical such that rotational diffusion is either suppressed or enhanced depending on the tracer shape. For square tracers dissimilar in structure to the local media structure of 2D colloids, the translation-rotation decoupling occurs and the rotational diffusion is enhanced relative to the translation. For sufficiently large diamond tracers similar in structure to the local media structure, tracers undergo rotational hopping motions and their rotation is suppressed relative to the translation. For distorted-diamond tracers, the decoupling is marginal. Translational diffusion does not change significantly with the tracer shape and obeys the Stokes-Einstein relation.

  10. Category Structure Determines the Relative Attractiveness of Global Versus Local Averages.

    Science.gov (United States)

    Vogel, Tobias; Carr, Evan W; Davis, Tyler; Winkielman, Piotr

    2017-09-21

    Stimuli that capture the central tendency of presented exemplars are often preferred-a phenomenon also known as the classic beauty-in-averageness effect. However, recent studies have shown that this effect can reverse under certain conditions. We propose that a key variable for such ugliness-in-averageness effects is the category structure of the presented exemplars. When exemplars cluster into multiple subcategories, the global average should no longer reflect the underlying stimulus distributions, and will thereby become unattractive. In contrast, the subcategory averages (i.e., local averages) should better reflect the stimulus distributions, and become more attractive. In 3 studies, we presented participants with dot patterns belonging to 2 different subcategories. Importantly, across studies, we also manipulated the distinctiveness of the subcategories. We found that participants preferred the local averages over the global average when they first learned to classify the patterns into 2 different subcategories in a contrastive categorization paradigm (Experiment 1). Moreover, participants still preferred local averages when first classifying patterns into a single category (Experiment 2) or when not classifying patterns at all during incidental learning (Experiment 3), as long as the subcategories were sufficiently distinct. Finally, as a proof-of-concept, we mapped our empirical results onto predictions generated by a well-known computational model of category learning (the Generalized Context Model [GCM]). Overall, our findings emphasize the key role of categorization for understanding the nature of preferences, including any effects that emerge from stimulus averaging. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  11. A single frequency component-based re-estimated MUSIC algorithm for impact localization on complex composite structures

    Science.gov (United States)

    Yuan, Shenfang; Bao, Qiao; Qiu, Lei; Zhong, Yongteng

    2015-10-01

    The growing use of composite materials on aircraft structures has attracted much attention for impact monitoring as a kind of structural health monitoring (SHM) method. Multiple signal classification (MUSIC)-based monitoring technology is a promising method because of its directional scanning ability and easy arrangement of the sensor array. However, for applications on real complex structures, some challenges still exist. The impact-induced elastic waves usually exhibit a wide-band performance, giving rise to the difficulty in obtaining the phase velocity directly. In addition, composite structures usually have obvious anisotropy, and the complex structural style of real aircrafts further enhances this performance, which greatly reduces the localization precision of the MUSIC-based method. To improve the MUSIC-based impact monitoring method, this paper first analyzes and demonstrates the influence of measurement precision of the phase velocity on the localization results of the MUSIC impact localization method. In order to improve the accuracy of the phase velocity measurement, a single frequency component extraction method is presented. Additionally, a single frequency component-based re-estimated MUSIC (SFCBR-MUSIC) algorithm is proposed to reduce the localization error caused by the anisotropy of the complex composite structure. The proposed method is verified on a real composite aircraft wing box, which has T-stiffeners and screw holes. Three typical categories of 41 impacts are monitored. Experimental results show that the SFCBR-MUSIC algorithm can localize impact on complex composite structures with an obviously improved accuracy.

  12. A hierarchical method for discrete structural topology design problems with local stress and displacement constraints

    DEFF Research Database (Denmark)

    Stolpe, Mathias; Stidsen, Thomas K.

    2007-01-01

    of minimizing the weight of a structure subject to displacement and local design-dependent stress constraints. The method iteratively treats a sequence of problems of increasing size of the same type as the original problem. The problems are defined on a design mesh which is initially coarse......In this paper, we present a hierarchical optimization method for finding feasible true 0-1 solutions to finite-element-based topology design problems. The topology design problems are initially modelled as non-convex mixed 0-1 programs. The hierarchical optimization method is applied to the problem...... and then successively refined as needed. At each level of design mesh refinement, a neighbourhood optimization method is used to treat the problem considered. The non-convex topology design problems are equivalently reformulated as convex all-quadratic mixed 0-1 programs. This reformulation enables the use of methods...

  13. A hierarchical method for structural topology design problems with local stress and displacement constraints

    DEFF Research Database (Denmark)

    Stolpe, Mathias; Stidsen, Thomas K.

    2005-01-01

    of minimizing the weight of a structure subject to displacement and local design-dependent stress constraints. The method iteratively solves a sequence of problems of increasing size of the same type as the original problem. The problems are defined on a design mesh which is initially coarse......In this paper we present a hierarchical optimization method for finding feasible true 0-1 solutions to finite element based topology design problems. The topology design problems are initially modeled as non-convex mixed 0-1 programs. The hierarchical optimization method is applied to the problem...... and then successively refined as needed. At each level of design mesh refinement, a neighborhood optimization method is used to solve the problem considered. The non-convex topology design problems are equivalently reformulated as convex all-quadratic mixed 0-1 programs. This reformulation enables the use of methods...

  14. Effects of local structural transformation of lipid-like compounds on delivery of messenger RNA

    Science.gov (United States)

    Li, Bin; Luo, Xiao; Deng, Binbin; Giancola, Jolynn B.; McComb, David W.; Schmittgen, Thomas D.; Dong, Yizhou

    2016-02-01

    Lipid-like nanoparticles (LLNs) have shown great potential for RNA delivery. Lipid-like compounds are key components in LLNs. In this study, we investigated the effects of local structural transformation of lipid-like compounds on delivery of messenger RNA. Our results showed that position change of functional groups on lipid-like compounds can dramatically improve delivery efficiency. We then optimized formulation ratios of TNT-b10 LLNs, a lead material, increasing delivery efficiency over 2-fold. More importantly, pegylated TNT-b10 LLNs is stable for over four weeks and is over 10-fold more efficient than that of its counterpart TNT-a10 LLNs. Additionally, the optimal formulation O-TNT-b10 LLNs is capable of delivering mRNA encoding luciferase in vivo. These results provide useful insights into the design of next generation LLNs for mRNA delivery.

  15. A note on eigenfrequency sensitivities and structural eigenfrequency optimization based on local sub-domain frequencies

    DEFF Research Database (Denmark)

    Pedersen, Pauli; Pedersen, Niels Leergaard

    2014-01-01

    on the derived optimality condition. The design that maximize a frequency depend on the total amount of available material and on a necessary interpolation as illustrated by different design cases.In this note we have assumed a linear and conservative eigenvalue problem without multiple eigenvalues. The presence...... result has many applications. It is therefore presented before specific use in optimization examples. The engineering approach of fully stressed design is a practical tool with a theoretical foundation. The analog approach to structural eigenfrequency optimization is presented here with its theoretical...... foundation. A numerical heuristic redesign procedure is proposed and illustrated with examples. For the ideal case, an optimality criterion is fulfilled if the design have the same sub-domain frequency (local Rayleigh quotient). Sensitivity analysis shows an important relation between squared system...

  16. Cloning, structure, and chromosome localization of the mouse glutaryl-CoA dehydrogenase gene

    Energy Technology Data Exchange (ETDEWEB)

    Koeller, D.M.; DiGiulio, A.; Frerman, F.E. [Univ. of Colorado Health Sciences Center, Denver, CO (United States)] [and others

    1995-08-10

    Glutaryl-CoA dehydrogenase (GCDH) is a nuclear-encoded, mitochondrial matrix enzyme. In humans, deficiency of GCDH leads to glutaric acidemia type I, and inherited disorder of amino acid metabolism characterized by a progressive neurodegenerative disease. In this report we describe the cloning and structure of the mouse GCDH (Gcdh) gene and cDNA and its chromosomal localization. The mouse Gcdh cDNA is 1.75 kb long and contains and open reading frame of 438 amino acids. The amino acid sequences of mouse, human, and pig GCDH are highly conserved. The mouse Gcdh gene contains 11 exons and spans 7 kb of genomic DNA. Gcdh was mapped by backcross analysis to mouse chromosome 8 within a region that is homologous to a region of human chromosome 19, where the human gene was previously mapped. 14 refs., 3 figs.

  17. Stochasticity, periodicity and localized light structures in partially mode-locked fibre lasers

    Science.gov (United States)

    Churkin, D. V.; Sugavanam, S.; Tarasov, N.; Khorev, S.; Smirnov, S. V.; Kobtsev, S. M.; Turitsyn, S. K.

    2015-01-01

    Physical systems with co-existence and interplay of processes featuring distinct spatio-temporal scales are found in various research areas ranging from studies of brain activity to astrophysics. The complexity of such systems makes their theoretical and experimental analysis technically and conceptually challenging. Here, we discovered that while radiation of partially mode-locked fibre lasers is stochastic and intermittent on a short time scale, it exhibits non-trivial periodicity and long-scale correlations over slow evolution from one round-trip to another. A new technique for evolution mapping of intensity autocorrelation function has enabled us to reveal a variety of localized spatio-temporal structures and to experimentally study their symbiotic co-existence with stochastic radiation. Real-time characterization of dynamical spatio-temporal regimes of laser operation is set to bring new insights into rich underlying nonlinear physics of practical active- and passive-cavity photonic systems. PMID:25947951

  18. Stochasticity, periodicity and localized light structures in partially mode-locked fibre lasers.

    Science.gov (United States)

    Churkin, D V; Sugavanam, S; Tarasov, N; Khorev, S; Smirnov, S V; Kobtsev, S M; Turitsyn, S K

    2015-05-07

    Physical systems with co-existence and interplay of processes featuring distinct spatio-temporal scales are found in various research areas ranging from studies of brain activity to astrophysics. The complexity of such systems makes their theoretical and experimental analysis technically and conceptually challenging. Here, we discovered that while radiation of partially mode-locked fibre lasers is stochastic and intermittent on a short time scale, it exhibits non-trivial periodicity and long-scale correlations over slow evolution from one round-trip to another. A new technique for evolution mapping of intensity autocorrelation function has enabled us to reveal a variety of localized spatio-temporal structures and to experimentally study their symbiotic co-existence with stochastic radiation. Real-time characterization of dynamical spatio-temporal regimes of laser operation is set to bring new insights into rich underlying nonlinear physics of practical active- and passive-cavity photonic systems.

  19. Analysis of correlation structure in Lymantria dispar L. larvae from locally adapted populations

    Directory of Open Access Journals (Sweden)

    Mrdaković Marija

    2013-01-01

    Full Text Available The influence of allelochemical stress and population origin on the patterns of phenotypic and genetic correlations among life history traits and digestive enzyme activities were investigated in larvae of the gypsy moth (Lymantria dispar L.; Lepidoptera: Lymantriidae. Thirty-two full-sib families from oak (suitable host plant, Quercus population, and twenty-six full-sib families from locust-tree (unsuitable host plant, Robinia population forests were reared on an artificial diet, with or without a 5% tannic acid supplement. Comparison of correlation matrices revealed significant similarity between the two populations in the structure of phenotypic and genetic correlations of life history traits and of digestive enzyme activities. The patterns of correlations of the examined traits, within each of the two locally adapted populations and in the presence of allelochemical stress, remained stabile despite the different selection pressures that mold these traits. [Projekat Ministarstva nauke Republike Srbije, br. 173027

  20. Local Oxidation Fin-Field-Effect-Transistor Structure for Nanodevice Applications

    Science.gov (United States)

    Ya-Li Tai,; Jam-Wem Lee,; Chen-Hsin Lien,

    2010-04-01

    Local oxidation (LOCOS) fin field-effect transistors (finFETs), a type of delta-FETs, are studied here for comparison with silicon-on-insulator (SOI) finFETs and bulk silicon finFETs. In our simulation, the LOCOS finFET shows a lower leakage current than the bulk finFET and a driving capability superior to that of the SOI finFET. The results can be attributed to the partial connection between the channel region and the substrate in LOCOS finFETs. The partially isolated oxide layer of LOCOS provides electrical isolation to suppress leakage, and the interspace between isolated oxide layers provides good thermal conduction to sustain a high driving current. For device fabrication, different parameters, fin height (H), gate length (L), and oxide interspace (S), are also investigated. The results show that the LOCOS finFET structure is an exceptional alternative for nanodevice applications.

  1. How modular structure can simplify tasks on networks: parameterizing graph optimization by fast local community detection.

    Science.gov (United States)

    Bui-Xuan, Binh-Minh; Jones, Nick S

    2014-10-08

    By considering the task of finding the shortest walk through a Network, we find an algorithm for which the run time is not as O(2 n ), with n being the number of nodes, but instead scales with the number of nodes in a coarsened network. This coarsened network has a number of nodes related to the number of dense regions in the original graph. Since we exploit a form of local community detection as a preprocessing, this work gives support to the project of developing heuristic algorithms for detecting dense regions in networks: preprocessing of this kind can accelerate optimization tasks on networks. Our work also suggests a class of empirical conjectures for how structural features of efficient networked systems might scale with system size.

  2. Local appearance features for robust MRI brain structure segmentation across scanning protocols

    DEFF Research Database (Denmark)

    Achterberg, H.C.; Poot, Dirk H. J.; van der Lijn, Fedde

    2013-01-01

    Segmentation of brain structures in magnetic resonance images is an important task in neuro image analysis. Several papers on this topic have shown the benefit of supervised classification based on local appearance features, often combined with atlas-based approaches. These methods require...... a representative annotated training set and therefore often do not perform well if the target image is acquired on a different scanner or with a different acquisition protocol than the training images. Assuming that the appearance of the brain is determined by the underlying brain tissue distribution...... and that brain tissue classification can be performed robustly for images obtained with different protocols, we propose to derive appearance features from brain-tissue density maps instead of directly from the MR images. We evaluated this approach on hippocampus segmentation in two sets of images acquired...

  3. CARBON DISTRIBUTION IN PROTEIN LOCAL STRUCTURE DIRECT SUPEROXIDE DISMUTASE TO DISEASE WAY

    Directory of Open Access Journals (Sweden)

    E. Rajasekaran

    2012-12-01

    Full Text Available During the reaction involving superoxide dismutase (SOD, the oxidized Cu(II form converts one superoxide molecule into oxygen while itself getting reduced to Cu(I form. This reduced form of Cu(I again converts another superoxide molecule into hydrogen peroxide and returns to oxidized Cu(II form. Amyotrophic sclerosis is associated to instability in SOD and oxidative damage. Amyotrophic sclerosis mutants of human SOD form aggregates due to destabilization. Mostly these aggregates are due to hydrophobic interaction which comes from carbon present in the SOD. Some of these mutations found in amyotrophic sclerosis are studied here. Results reveal that most of these mutations alter local hydrophobic structures that are responsible for disorder. Carbon distribution analysis program is effective in identification and modification of mutational sites in biological sequences. This can be better exploited for gene therapy.

  4. Electronic structure of the Ca3Co4O9 compound from ab initio local interactions

    Science.gov (United States)

    Soret, Julien; Lepetit, Marie-Bernadette

    2012-04-01

    We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t-J models for the thermoelectric misfit compound Ca3Co4O9. As for the NaxCoO2 family, the Fermi level orbitals are the a1g orbitals of the cobalt atoms; the eg' being always lower in energy by more than 240 meV. The electron correlation is found very large U/t˜26 as well as the parameters fluctuations as a function of the structural modulation. The main consequences are a partial a1g electrons localization and a fluctuation of the in-plane magnetic exchange from antiferromagnetic to ferromagnetic. The behavior of the Seebeck coefficient and the figure of merit are discussed in view of the ab initio results, as well as the 496 K phase transition.

  5. Locally-tailored structure of an elastomeric substrate for stretchable circuits

    Science.gov (United States)

    Park, Chan Woo; Jung, Soon Won; Na, Bock Soon; Oh, Ji-Young; Park, Nae-Man; Lee, Sang Seok; Bon Koo, Jae

    2016-02-01

    We demonstrate a new process for fabricating a hybrid elastomeric polydimethylsiloxane (PDMS) substrate, which can provide a high ratio (as large as ∼50) of the elastic modulus between the active device region and the interconnect area, as well as a locally tailored surface profile for each region. For this process, a Si master mold with a dual surface profile is prepared, where locally flat regions are distributed within a wavy-surfaced area. The stiffer elastomeric islands for active devices are formed on the flat regions by photolithography of a photo-patternable and hard PDMS layer (E ∼ 160 MPa), over which a soft PDMS layer (E ∼ 2 to 3 MPa) is casted. By releasing the whole PDMS layer from the mold, a hybrid silicone substrate with stiff and flat islands embedded within a soft and wavy matrix is obtained. In this hybrid structure, active devices located on the stiff regions can provide high reliability under stretched conditions, while most strain is accommodated by wavy interconnects within the soft area. Such beneficial effects are demonstrated by organic thin film transistors produced on the hybrid substrate.

  6. How Local Anesthetics affect the structural and dynamical properties of bio-membranes

    Science.gov (United States)

    Yi, Zheng; Nagao, Michihiro; Bossev, Dobrin

    2009-03-01

    To address the question of how local anesthetics influences the structural and dynamical properties of bio-membranes, neutron-spin echo spectroscopy (NSE) has been performed on 1,2-Dimyristoyl-sn-Glycero-3-Phosphocholine (DMPC) unilamellar vesicles (ULV) with different concentrations of Lidocaine in D2O to study the influence of Lidocaine on the bending elasticity of DMPC ULV bilayers in fluid crystal (L&_slash;alpha) phase and the ripple gel (P&_slash;beta') phase; The measurement of small-angle neutron scattering (SANS) has been performed to determine the bilayer thickness as a function of the concentration of Lidocaine. In the existence of molecules of Lidocaine the bending elasticity of DMPC bilayers was increased 30&%slash; -100&%slash; in L&_slash;alpha phase. The NSE data confirmed that fluid crystal/ripple gel transition temperature of DMPC bilayers was depressed by the addition of local anesthetics, which has also been examined via differential scanning calorimetry (DSC).

  7. Molecular dynamics simulation of the local concentration and structure in multicomponent aerosol nanoparticles under atmospheric conditions.

    Science.gov (United States)

    Karadima, Katerina S; Mavrantzas, Vlasis G; Pandis, Spyros N

    2017-06-28

    Molecular dynamics (MD) simulations were employed to investigate the local structure and local concentration in atmospheric nanoparticles consisting of an organic compound (cis-pinonic acid or n-C30H62), sulfate and ammonium ions, and water. Simulations in the isothermal-isobaric (NPT) statistical ensemble under atmospheric conditions with a prespecified number of molecules of the abovementioned compounds led to the formation of a nanoparticle. Calculations of the density profiles of all the chemical species in the nanoparticle, the corresponding radial pair distribution functions, and their mobility inside the nanoparticle revealed strong interactions developing between sulfate and ammonium ions. However, sulfate and ammonium ions prefer to populate the central part of the nanoparticle under the simulated conditions, whereas organic molecules like to reside at its outer surface. Sulfate and ammonium ions were practically immobile; in contrast, the organic molecules exhibited appreciable mobility at the outer surface of the nanoparticle. When the organic compound was a normal alkane (e.g. n-C30H62), a well-organized (crystalline-like) phase was rapidly formed at the free surface of the nanoparticle and remained separate from the rest of the species.

  8. Spatial structures of intermittent local electron flux in a linear ECR plasma

    Science.gov (United States)

    Yoshimura, Shinji; Terasaka, Kenichiro; Tanaka, Eiki; Aramaki, Mitsutoshi; Tanaka, Masayoshi Y.

    2013-10-01

    Spontaneous generation of intermittent local electron flux has been observed in a linear electron-cyclotron-resonance (ECR) plasma produced in the HYPER-I device (NIFS, Japan). Statistical analysis of temporal variation of floating potential on a Langmuir probe revealed that the phenomenon is characterized by a stationary Poisson process. In order to measure 2D spatial structures of the electron flux, the High-Impedance Wire Grid (HIWG) that consists of 16 electrically-floated electrodes (8 horizontal and 8 vertical) has been developed. By evaluating the magnitude of the flux at each lattice point as the geometric mean of the signal amplitudes on corresponding pair of electrodes at a given time, a snapshot of 2D intensity distribution of the electron flux can be reconstructed. The electron flux has a circular cross-section of which diameter is typically about 30 mm. End view images taken by an ICCD camera with an optical filter also show local enhancement of line emissions of ions and neutrals in the circular region in which the intermittent electron flux enhancement occurs. This work was supported by JSPS KAKENHI Grant Number 24540544.

  9. Localization of fluorescently labeled structures in frozen-hydrated samples using integrated light electron microscopy.

    Science.gov (United States)

    Faas, F G A; Bárcena, M; Agronskaia, A V; Gerritsen, H C; Moscicka, K B; Diebolder, C A; van Driel, L F; Limpens, R W A L; Bos, E; Ravelli, R B G; Koning, R I; Koster, A J

    2013-03-01

    Correlative light and electron microscopy is an increasingly popular technique to study complex biological systems at various levels of resolution. Fluorescence microscopy can be employed to scan large areas to localize regions of interest which are then analyzed by electron microscopy to obtain morphological and structural information from a selected field of view at nm-scale resolution. Previously, an integrated approach to room temperature correlative microscopy was described. Combined use of light and electron microscopy within one instrument greatly simplifies sample handling, avoids cumbersome experimental overheads, simplifies navigation between the two modalities, and improves the success rate of image correlation. Here, an integrated approach for correlative microscopy under cryogenic conditions is presented. Its advantages over the room temperature approach include safeguarding the native hydrated state of the biological specimen, preservation of the fluorescence signal without risk of quenching due to heavy atom stains, and reduced photo bleaching. The potential of cryo integrated light and electron microscopy is demonstrated for the detection of viable bacteria, the study of in vitro polymerized microtubules, the localization of mitochondria in mouse embryonic fibroblasts, and for a search into virus-induced intracellular membrane modifications within mammalian cells. Copyright © 2012 Elsevier Inc. All rights reserved.

  10. Localization and identification of structural nonlinearities using cascaded optimization and neural networks

    Science.gov (United States)

    Koyuncu, A.; Cigeroglu, E.; Özgüven, H. N.

    2017-10-01

    In this study, a new approach is proposed for identification of structural nonlinearities by employing cascaded optimization and neural networks. Linear finite element model of the system and frequency response functions measured at arbitrary locations of the system are used in this approach. Using the finite element model, a training data set is created, which appropriately spans the possible nonlinear configurations space of the system. A classification neural network trained on these data sets then localizes and determines the types of all nonlinearities associated with the nonlinear degrees of freedom in the system. A new training data set spanning the parametric space associated with the determined nonlinearities is created to facilitate parametric identification. Utilizing this data set, initially, a feed forward regression neural network is trained, which parametrically identifies the classified nonlinearities. Then, the results obtained are further improved by carrying out an optimization which uses network identified values as starting points. Unlike identification methods available in literature, the proposed approach does not require data collection from the degrees of freedoms where nonlinear elements are attached, and furthermore, it is sufficiently accurate even in the presence of measurement noise. The application of the proposed approach is demonstrated on an example system with nonlinear elements and on a real life experimental setup with a local nonlinearity.

  11. Box Tomography: An efficient tomographic method for imaging localized structures in the deep Earth

    Science.gov (United States)

    Masson, Yder; Romanowicz, Barbara

    2017-04-01

    The accurate imaging of localized geological structures inside the deep Earth is key to understand our planet and its history. Since the introduction of the Preliminary Reference Earth Model, many generations of global tomographic models have been developed and give us access to the 3D structure of the Earth's interior. The latest generation of global tomographic models has emerged with the development of accurate numerical wavefield computations in a 3D earth combined with access to enhanced HPC capabilities. These models have sharpened up mantle images and unveiled relatively small scale structures that were blurred out in previous generation models. Fingerlike structures have been found at the base of the oceanic asthenosphere, and vertically oriented broad low velocity plume conduits [1] extend throughout the lower mantle beneath those major hotspots that are located within the perimeter of the deep mantle large low shear velocity provinces (LLSVPs). While providing new insights into our understanding of mantle dynamics, the detailed morphology of these features requires further efforts to obtain higher resolution images. In recent years, we developed a theoretical framework [2][3] for the tomographic imaging of localised geological structures buried inside the Earth, where no seismic sources nor receivers are necessarily present. We call this "box tomography" [4]. The essential difference between box-tomography and standard tomographic methods is that the numerical modeling (i.e. the raytracing in travel time tomography and the wave propagation in waveform tomography or full waveform inversion) is completely confined within the small box-region imaged. Thus, box tomography is a lot more efficient than global tomography (i.e. where we invert for the velocity in the larger volume that encompasses all the sources and receivers), for imaging localised objects. We present 2D and 3D examples showing that box tomography can be employed for imaging structures present

  12. Analysis of the Local Budget’s Expenditures Structure at Different Types of Administrative Units in Romania

    Directory of Open Access Journals (Sweden)

    Dan-Constantin Danuletiu

    2016-01-01

    Full Text Available Financial decentralization process affected the expenditure part of the local budgets in Romania by imposing new destinations for own revenues, but also by limiting the decision autonomy because of the equalization system design or the transfer of responsibilities without establishing new sources of revenues. But the effects on the local budgets are not the same for every administrative unit. The article highlights the structure of expenditures of local budgets for different types of administrative unit, for identifying variations in and potential causes of the financial autonomy regarding local expenditures.

  13. Compositional divergence and convergence in local communities and spatially structured landscapes.

    Directory of Open Access Journals (Sweden)

    Tancredi Caruso

    Full Text Available Community structure depends on both deterministic and stochastic processes. However, patterns of community dissimilarity (e.g. difference in species composition are difficult to interpret in terms of the relative roles of these processes. Local communities can be more dissimilar (divergence than, less dissimilar (convergence than, or as dissimilar as a hypothetical control based on either null or neutral models. However, several mechanisms may result in the same pattern, or act concurrently to generate a pattern, and much research has recently been focusing on unravelling these mechanisms and their relative contributions. Using a simulation approach, we addressed the effect of a complex but realistic spatial structure in the distribution of the niche axis and we analysed patterns of species co-occurrence and beta diversity as measured by dissimilarity indices (e.g. Jaccard index using either expectations under a null model or neutral dynamics (i.e., based on switching off the niche effect. The strength of niche processes, dispersal, and environmental noise strongly interacted so that niche-driven dynamics may result in local communities that either diverge or converge depending on the combination of these factors. Thus, a fundamental result is that, in real systems, interacting processes of community assembly can be disentangled only by measuring traits such as niche breadth and dispersal. The ability to detect the signal of the niche was also dependent on the spatial resolution of the sampling strategy, which must account for the multiple scale spatial patterns in the niche axis. Notably, some of the patterns we observed correspond to patterns of community dissimilarities previously observed in the field and suggest mechanistic explanations for them or the data required to solve them. Our framework offers a synthesis of the patterns of community dissimilarity produced by the interaction of deterministic and stochastic determinants of community

  14. Does landscape connectivity shape local and global social network structure in white-tailed deer?

    Science.gov (United States)

    Koen, Erin L; Tosa, Marie I; Nielsen, Clayton K; Schauber, Eric M

    2017-01-01

    Intraspecific social behavior can be influenced by both intrinsic and extrinsic factors. While much research has focused on how characteristics of individuals influence their roles in social networks, we were interested in the role that landscape structure plays in animal sociality at both individual (local) and population (global) levels. We used female white-tailed deer (Odocoileus virginianus) in Illinois, USA, to investigate the potential effect of landscape on social network structure by weighting the edges of seasonal social networks with association rate (based on proximity inferred from GPS collar data). At the local level, we found that sociality among female deer in neighboring social groups (n = 36) was mainly explained by their home range overlap, with two exceptions: 1) during fawning in an area of mixed forest and grassland, deer whose home ranges had low forest connectivity were more social than expected; and 2) during the rut in an area of intensive agriculture, deer inhabiting home ranges with high amount and connectedness of agriculture were more social than expected. At the global scale, we found that deer populations (n = 7) in areas with highly connected forest-agriculture edge, a high proportion of agriculture, and a low proportion of forest tended to have higher weighted network closeness, although low sample size precluded statistical significance. This result implies that infectious disease could spread faster in deer populations inhabiting such landscapes. Our work advances the general understanding of animal social networks, demonstrating how landscape features can underlie differences in social behavior both within and among wildlife social networks.

  15. Local and regional effects on community structure of dung beetles in a mainland-island scenario.

    Directory of Open Access Journals (Sweden)

    Pedro Giovâni da Silva

    Full Text Available Understanding the ecological mechanisms driving beta diversity is a major goal of community ecology. Metacommunity theory brings new ways of thinking about the structure of local communities, including processes occurring at different spatial scales. In addition to new theories, new methods have been developed which allow the partitioning of individual and shared contributions of environmental and spatial effects, as well as identification of species and sites that have importance in the generation of beta diversity along ecological gradients. We analyzed the spatial distribution of dung beetle communities in areas of Atlantic Forest in a mainland-island scenario in southern Brazil, with the objective of identifying the mechanisms driving composition, abundance and biomass at three spatial scales (mainland-island, areas and sites. We sampled 20 sites across four large areas, two on the mainland and two on the island. The distribution of our sampling sites was hierarchical and areas are isolated. We used standardized protocols to assess environmental heterogeneity and sample dung beetles. We used spatial eigenfunctions analysis to generate the spatial patterns of sampling points. Environmental heterogeneity showed strong variation among sites and a mild increase with increasing spatial scale. The analysis of diversity partitioning showed an increase in beta diversity with increasing spatial scale. Variation partitioning based on environmental and spatial variables suggests that environmental heterogeneity is the most important driver of beta diversity at the local scale. The spatial effects were significant only at larger spatial scales. Our study presents a case where environmental heterogeneity seems to be the main factor structuring communities at smaller scales, while spatial effects are more important at larger scales. The increase in beta diversity that occurs at larger scales seems to be the result of limitation in species dispersal

  16. Local and regional effects on community structure of dung beetles in a mainland-island scenario.

    Science.gov (United States)

    da Silva, Pedro Giovâni; Hernández, Malva Isabel Medina

    2014-01-01

    Understanding the ecological mechanisms driving beta diversity is a major goal of community ecology. Metacommunity theory brings new ways of thinking about the structure of local communities, including processes occurring at different spatial scales. In addition to new theories, new methods have been developed which allow the partitioning of individual and shared contributions of environmental and spatial effects, as well as identification of species and sites that have importance in the generation of beta diversity along ecological gradients. We analyzed the spatial distribution of dung beetle communities in areas of Atlantic Forest in a mainland-island scenario in southern Brazil, with the objective of identifying the mechanisms driving composition, abundance and biomass at three spatial scales (mainland-island, areas and sites). We sampled 20 sites across four large areas, two on the mainland and two on the island. The distribution of our sampling sites was hierarchical and areas are isolated. We used standardized protocols to assess environmental heterogeneity and sample dung beetles. We used spatial eigenfunctions analysis to generate the spatial patterns of sampling points. Environmental heterogeneity showed strong variation among sites and a mild increase with increasing spatial scale. The analysis of diversity partitioning showed an increase in beta diversity with increasing spatial scale. Variation partitioning based on environmental and spatial variables suggests that environmental heterogeneity is the most important driver of beta diversity at the local scale. The spatial effects were significant only at larger spatial scales. Our study presents a case where environmental heterogeneity seems to be the main factor structuring communities at smaller scales, while spatial effects are more important at larger scales. The increase in beta diversity that occurs at larger scales seems to be the result of limitation in species dispersal ability due to habitat

  17. Does landscape connectivity shape local and global social network structure in white-tailed deer?

    Directory of Open Access Journals (Sweden)

    Erin L Koen

    Full Text Available Intraspecific social behavior can be influenced by both intrinsic and extrinsic factors. While much research has focused on how characteristics of individuals influence their roles in social networks, we were interested in the role that landscape structure plays in animal sociality at both individual (local and population (global levels. We used female white-tailed deer (Odocoileus virginianus in Illinois, USA, to investigate the potential effect of landscape on social network structure by weighting the edges of seasonal social networks with association rate (based on proximity inferred from GPS collar data. At the local level, we found that sociality among female deer in neighboring social groups (n = 36 was mainly explained by their home range overlap, with two exceptions: 1 during fawning in an area of mixed forest and grassland, deer whose home ranges had low forest connectivity were more social than expected; and 2 during the rut in an area of intensive agriculture, deer inhabiting home ranges with high amount and connectedness of agriculture were more social than expected. At the global scale, we found that deer populations (n = 7 in areas with highly connected forest-agriculture edge, a high proportion of agriculture, and a low proportion of forest tended to have higher weighted network closeness, although low sample size precluded statistical significance. This result implies that infectious disease could spread faster in deer populations inhabiting such landscapes. Our work advances the general understanding of animal social networks, demonstrating how landscape features can underlie differences in social behavior both within and among wildlife social networks.

  18. TOWARDS CONSISTENT MAPPING OF URBAN STRUCTURES – GLOBAL HUMAN SETTLEMENT LAYER AND LOCAL CLIMATE ZONES

    Directory of Open Access Journals (Sweden)

    B. Bechtel

    2016-06-01

    Full Text Available Although more than half of the Earth’s population live in urban areas, we know remarkably little about most cities and what we do know is incomplete (lack of coverage and inconsistent (varying definitions and scale. While there have been considerable advances in the derivation of a global urban mask using satellite information, the complexity of urban structures, the heterogeneity of materials, and the multiplicity of spectral properties have impeded the derivation of universal urban structural types (UST. Further, the variety of UST typologies severely limits the comparability of such studies and although a common and generic description of urban structures is an essential requirement for the universal mapping of urban structures, such a standard scheme is still lacking. More recently, there have been two developments in urban mapping that have the potential for providing a standard approach: the Local Climate Zone (LCZ scheme (used by the World Urban Database and Access Portal Tools project and the Global Human Settlement Layer (GHSL methodology by JRC. In this paper the LCZ scheme and the GHSL LABEL product were compared for selected cities. The comparison between both datasets revealed a good agreement at city and coarse scale, while the contingency at pixel scale was limited due to the mismatch in grid resolution and typology. At a 1 km scale, built-up as well as open and compact classes showed very good agreement in terms of correlation coefficient and mean absolute distance, spatial pattern, and radial distribution as a function of distance from town, which indicates that a decomposition relevant for modelling applications could be derived from both. On the other hand, specific problems were found for both datasets, which are discussed along with their general advantages and disadvantages as a standard for UST classification in urban remote sensing.

  19. Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

    Directory of Open Access Journals (Sweden)

    Nils E. R. Zimmermann

    2017-11-01

    Full Text Available Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP database (61,422 compounds for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  20. Nanoscale heterogeneity as remnant hexagonal-type local structures in shocked Cu-Pb and Zr

    Science.gov (United States)

    Tayal, Akhil; Conradson, Steven D.; Batuk, Olga N.; Fensin, Saryu; Cerreta, Ellen; Gray, George T.; Saxena, Avadh

    2017-09-01

    Extended X-ray absorption fine structure spectroscopy was used to determine the local structure in: (1) Zr that had undergone quasistatic elongation; (2) Zr that had undergone plastic deformation by shock at pressures above and below the ω-phase transformation; and (3) shocked Cu that contained a few percent of insoluble Pb. Below the transition pressure, Zr samples showed only general disorder as increases in the widths of the Zr-Zr pair distributions. Above this pressure, Zr that was a mixture of the original hcp and the high pressure ω-phase when measured by diffraction showed two sets of peaks in its distribution corresponding to these two phases. Some of the ones from the ω-phase were at distances substantially different from those calculated from the diffraction pattern, although they are still consistent with small domains exhibiting stacking faults associated with hexagonal-type structural components exhibiting variability in the [0001] basal plane spacing. A similar result, new pairs at just over 3 and 4 Å consistent with hexagonal-type stacking faults in addition to the original fcc structure, is found in shocked Cu despite the absence of a second diffraction pattern and peak pressures being far below those expected to induce an fcc to hcp transition. This result, therefore, demonstrates that the correlation between high strain rates and reduced stacking fault energy continues down to the length scale of atom pairs. These findings are significant as: (1) a microscopic description of the behavior of systems far from equilibrium; (2) a demonstration of the importance of strain rate at short length scales; and (3) a bridge between the abruptness of macroscopic pressure-induced phase transitions and the continuity of martensitic ones over their fluctuation region in terms of the inverse relationship between the length scale of the martensitic texture, manifested here as ordered lattice distortions and the lower pressure at which such texture first appears

  1. From Extraction of Local Structures of Protein Energy Landscapes to Improved Decoy Selection in Template-Free Protein Structure Prediction

    Directory of Open Access Journals (Sweden)

    Nasrin Akhter

    2018-01-01

    Full Text Available Due to the essential role that the three-dimensional conformation of a protein plays in regulating interactions with molecular partners, wet and dry laboratories seek biologically-active conformations of a protein to decode its function. Computational approaches are gaining prominence due to the labor and cost demands of wet laboratory investigations. Template-free methods can now compute thousands of conformations known as decoys, but selecting native conformations from the generated decoys remains challenging. Repeatedly, research has shown that the protein energy functions whose minima are sought in the generation of decoys are unreliable indicators of nativeness. The prevalent approach ignores energy altogether and clusters decoys by conformational similarity. Complementary recent efforts design protein-specific scoring functions or train machine learning models on labeled decoys. In this paper, we show that an informative consideration of energy can be carried out under the energy landscape view. Specifically, we leverage local structures known as basins in the energy landscape probed by a template-free method. We propose and compare various strategies of basin-based decoy selection that we demonstrate are superior to clustering-based strategies. The presented results point to further directions of research for improving decoy selection, including the ability to properly consider the multiplicity of native conformations of proteins.

  2. Structure and chromosomal localization of the human antidiuretic hormone receptor gene

    Energy Technology Data Exchange (ETDEWEB)

    Seibold, A.; Brabet, P.; Rosenthal, W.; Birnbaumer, M. (Baylor College of Medicine, Houston, TX (United States))

    1992-11-01

    Applying a genomic DNA-expression approach, the authors cloned the gene and cDNA coding for the human antidiuretic hormone receptor, also called vasopressin V2 receptor' (V2R). The nucleotide sequence of both cloned DNAs provided the information to elucidate the structure of the isolated transcriptional unit. The structure of this gene is unusual in that it is the first G protein-coupled receptor gene that contains two very small intervening sequences, the second of which separates the region encoding the seventh transmembrane region from the rest of the open reading frame. The sequence information was used to synthesize appropriate oligonucleotides to be used as primers in the PCR. The V2R gene was localized by PCR using DNA from hybrid cells as template. The gene was found to reside in the q28-qter portion of the human X chromosome, a region identified as the locus for congential nephrogenic diabetes insipidus. 27 refs., 4 figs.

  3. Investigation of gamma radiation induced changes in local structure of borosilicate glass by TDPAC and EXAFS

    Science.gov (United States)

    Kumar, Ashwani; Nayak, C.; Rajput, P.; Mishra, R. K.; Bhattacharyya, D.; Kaushik, C. P.; Tomar, B. S.

    2016-12-01

    Gamma radiation induced changes in local structure around the probe atom (Hafnium) were investigated in sodium barium borosilicate (NBS) glass, used for immobilization of high level liquid waste generated from the reprocessing plant at Trombay, Mumbai. The (NBS) glass was doped with 181Hf as a probe for time differential perturbed angular correlation (TDPAC) spectroscopy studies, while for studies using extended X-ray absorption fine structure (EXAFS) spectroscopy, the same was doped with 0.5 and 2 % (mole %) hafnium oxide. The irradiated as well as un-irradiated glass samples were studied by TDPAC and EXAFS techniques to obtain information about the changes (if any) around the probe atom due to gamma irradiation. TDPAC spectra of unirradiated and irradiated glasses were similar and reminescent of amorphous materials, indicating negligible effect of gamma radiation on the microstructure around Hafnium probe atom, though the quaqdrupole interaction frequency ( ω Q) and asymmetry parameter ( η) did show a marginal decrease in the irradiated glass compared to that in the unirradiated glass. EXAFS measurements showed a slight decrease in the Hf-O bond distance upon gamma irradiation of Hf doped NBS glass indicating densification of the glass matrix, while the cordination number around hafnium remains unchanged.

  4. Using adjoint sensitivity as a local structure function in variational data assimilation

    Directory of Open Access Journals (Sweden)

    G. Hello

    2001-01-01

    Full Text Available One approach recently proposed in order to improve the forecast of weather events, such as cyclogenesis, is to increase the number of observations in areas depending on the flow configuration. These areas are obtained using, for example, the sensitivity to initial conditions of a selected predicted cyclone. An alternative or complementary way is proposed here. The idea is to employ such an adjoint sensitivity field as a local structure function within variational data assimilation, 3D-Var in this instance. Away from the sensitive area, observation increments project on the initial fields with the usual climatological (or weakly flow-dependent, in the case of 4D-Var structure functions. Within the sensitive area, the gradient fields are projected using all the available data in the zone, conventional or extra, if any. The formulation of the technique is given and the approach is further explained by using a simple 1D scheme. The technique is implemented in the ARPEGE/IFS code and applied to 11 FASTEX (Fronts and Atlantic Storm-Track Experiment cyclone cases, together with the targeted observations performed at the time of the campaign. The new approach is shown to allow for the desired stronger impact of the available observations and to systematically improve the forecasts of the FASTEX cyclones, unlike the standard 3D-Var.

  5. Investigation of gamma radiation induced changes in local structure of borosilicate glass by TDPAC and EXAFS

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashwani, E-mail: kashwani@barc.gov.in [Bhabha Atomic Research Centre, Radioanalytical Chemistry Division (India); Nayak, C.; Rajput, P. [Bhabha Atomic Research Centre, Atomic and Molecular Physics Division (India); Mishra, R. K. [Bhabha Atomic Research Centre, Waste Management Division (India); Bhattacharyya, D. [Bhabha Atomic Research Centre, Atomic and Molecular Physics Division (India); Kaushik, C. P. [Bhabha Atomic Research Centre, Waste Management Division (India); Tomar, B. S. [Bhabha Atomic Research Centre, Radioanalytical Chemistry Division (India)

    2016-12-15

    Gamma radiation induced changes in local structure around the probe atom (Hafnium) were investigated in sodium barium borosilicate (NBS) glass, used for immobilization of high level liquid waste generated from the reprocessing plant at Trombay, Mumbai. The (NBS) glass was doped with {sup 181}Hf as a probe for time differential perturbed angular correlation (TDPAC) spectroscopy studies, while for studies using extended X-ray absorption fine structure (EXAFS) spectroscopy, the same was doped with 0.5 and 2 % (mole %) hafnium oxide. The irradiated as well as un-irradiated glass samples were studied by TDPAC and EXAFS techniques to obtain information about the changes (if any) around the probe atom due to gamma irradiation. TDPAC spectra of unirradiated and irradiated glasses were similar and reminescent of amorphous materials, indicating negligible effect of gamma radiation on the microstructure around Hafnium probe atom, though the quaqdrupole interaction frequency (ω{sub Q}) and asymmetry parameter (η) did show a marginal decrease in the irradiated glass compared to that in the unirradiated glass. EXAFS measurements showed a slight decrease in the Hf-O bond distance upon gamma irradiation of Hf doped NBS glass indicating densification of the glass matrix, while the cordination number around hafnium remains unchanged.

  6. The effects of local correlations on the electronic structure of FeSe

    Science.gov (United States)

    Watson, Matthew; Kim, Timur; Haghighirad, Amir; Coldea, Amalia

    FeSe is structurally the simplest of Fe-based superconductors, but its complex and unique properties pose important theoretical questions. One important aspect of the physics of FeSe is the understanding of the strength and effects of electronic correlations. In order to explore this, we have performed angle-resolved photo-emission spectroscopy (ARPES) measurements on high quality bulk single crystals of FeSe over a wide range of binding energies, in different scattering geometries and with varying incident photon energies, analysing the quasiparticle renormalisations, scattering rates and degree of coherence. We find that FeSe exhibits moderately strong, orbital-dependent correlation effects which are understood to arise primarily due to local electron-electron interactions on the Fe sites. We conclude that electronic correlations constitute a key ingredient in understanding the electronic structure of FeSe. Part of this work was supported by EPSRC, UK (EP/I004475/1, EP/I017836/1). We thank Diamond Light Source for access to Beamline I05.

  7. Learning Parsimonious Classification Rules from Gene Expression Data Using Bayesian Networks with Local Structure.

    Science.gov (United States)

    Lustgarten, Jonathan Lyle; Balasubramanian, Jeya Balaji; Visweswaran, Shyam; Gopalakrishnan, Vanathi

    2017-03-01

    The comprehensibility of good predictive models learned from high-dimensional gene expression data is attractive because it can lead to biomarker discovery. Several good classifiers provide comparable predictive performance but differ in their abilities to summarize the observed data. We extend a Bayesian Rule Learning (BRL-GSS) algorithm, previously shown to be a significantly better predictor than other classical approaches in this domain. It searches a space of Bayesian networks using a decision tree representation of its parameters with global constraints, and infers a set of IF-THEN rules. The number of parameters and therefore the number of rules are combinatorial to the number of predictor variables in the model. We relax these global constraints to a more generalizable local structure (BRL-LSS). BRL-LSS entails more parsimonious set of rules because it does not have to generate all combinatorial rules. The search space of local structures is much richer than the space of global structures. We design the BRL-LSS with the same worst-case time-complexity as BRL-GSS while exploring a richer and more complex model space. We measure predictive performance using Area Under the ROC curve (AUC) and Accuracy. We measure model parsimony performance by noting the average number of rules and variables needed to describe the observed data. We evaluate the predictive and parsimony performance of BRL-GSS, BRL-LSS and the state-of-the-art C4.5 decision tree algorithm, across 10-fold cross-validation using ten microarray gene-expression diagnostic datasets. In these experiments, we observe that BRL-LSS is similar to BRL-GSS in terms of predictive performance, while generating a much more parsimonious set of rules to explain the same observed data. BRL-LSS also needs fewer variables than C4.5 to explain the data with similar predictive performance. We also conduct a feasibility study to demonstrate the general applicability of our BRL methods on the newer RNA sequencing gene

  8. Electrical conductivity and local structure of barium manganese iron vanadate glass

    Energy Technology Data Exchange (ETDEWEB)

    Kubuki, Shiro, E-mail: kubuki@tmu.ac.jp; Masuda, Hitomi; Akiyama, Kazuhiko [Tokyo Metropolitan University, Department of Chemistry, Graduate School of Science and Engineering (Japan); Furumoto, Isao; Nishida, Tetsuaki [Kinki University, Major in Advanced Materials, Graduate School of Advanced Science and Engineering (Japan)

    2012-03-15

    Local structure and electrical conductivity of semiconducting 20BaO{center_dot}10Fe{sub 2}O{sub 3}{center_dot}x MnO{sub 2}{center_dot}(70 - x)V{sub 2}O{sub 5} glass (x = 0 - 30), abbreviated as xBFMV, were investigated by means of {sup 57}Fe-Moessbauer spectroscopy, differential thermal analysis (DTA) and DC four-probe method. Moessbauer spectrum of these vanadate glasses consists of a doublet with an identical isomer shift ({delta}) of 0.38{+-}0.01 mm s{sup - 1}, indicating that distorted FeO{sub 4} tetrahedra constitute the structural units with distorted VO{sub 4} tetrahedra and VO{sub 5} pyramids. Quadrupole splitting ({Delta}) gradually increases from 0.70{+-}0.02 to 0.87{+-}0.02 mm s{sup - 1} with an increase in the MnO{sub 2} content, indicating an increased local distortion of Fe{sup III}O{sub 4} tetrahedra. DTA study of these glasses showed a gradual increase of glass transition temperature (T{sub g}) from 329{+-}5 to 411{+-}5 Degree-Sign C, showing an improved thermal durability. 'T{sub g} vs. {Delta} plot' yielded a straight line with a large slope of 707 Degree-Sign C(K)/mm s{sup - 1}, proving that Fe{sup III} played a role of network former (NWF). An isothermal annealing of 10BFMV glass at 500 Degree-Sign C for 1000 min resulted in a marked increase in the electrical conductivity ({sigma}) from (4.5{+-}3.9) Multiplication-Sign 10{sup - 7} to (1.4{+-}0.3) Multiplication-Sign 10{sup - 2} S cm{sup - 1} and a decrease in the activation energy for the electrical conduction (E{sub a}) from 0.33 {+-} 0.07 to 0.11{+-}0.01 eV, while {Delta} of Fe{sup III} decreased from 0.76{+-}0.02 to 0.49{+-}0.02 mm s{sup - 1}. These results suggest that decrease in the distortion of Fe{sup III}O{sub 4} tetrahedra involved with the structural relaxation causes an increase in the probability of electron hopping from V{sup IV} or V{sup III} to V{sup V}.

  9. Local damage to Ultra High Performance Concrete structures caused by an impact of aircraft engine missiles

    Energy Technology Data Exchange (ETDEWEB)

    Riedel, Werner [Fraunhofer Institute for High-Speed Dynamics, Ernst-Mach-Institute, Eckerstrasse 4, D-79104 Freiburg (Germany); Noeldgen, Markus, E-mail: mnoeldgen@schuessler-plan.d [Fraunhofer Institute for High-Speed Dynamics, Ernst-Mach-Institute, Eckerstrasse 4, D-79104 Freiburg (Germany); Schuessler-Plan Engineering Ltd., St.-Franziskus-Str. 148, D-40470 Duesseldorf (Germany); Strassburger, Elmar; Thoma, Klaus [Fraunhofer Institute for High-Speed Dynamics, Ernst-Mach-Institute, Eckerstrasse 4, D-79104 Freiburg (Germany); Fehling, Ekkehard [University of Kassel, Chair of Structural Concrete, Kurt-Wolters Str. 3, D-34109 Kassel (Germany)

    2010-10-15

    Research highlights: {yields} Experimental series on UHPC panels subjected to aircraft engine impact. {yields} Improved ballistic limit of fiber reinforced UHPC in comparison to conventional R/C. {yields} Detailed investigation of failure mechanisms of fiber reinforced UHPC panel. - Abstract: The impact of an aircraft engine missile causes high stresses, deformations and a severe local damage to conventional reinforced concrete. As a consequence the design of R/C protective structural elements results in components with rather large dimensions. Fiber reinforced Ultra High Performance Concrete (UHPC) is a concrete based material which combines ultra high strength, high packing density and an improved ductility with a significantly increased energy dissipation capacity due to the addition of fiber reinforcement. With those attributes the material is potentially suitable for improved protective structural elements with a reduced need for material resources. The presented paper reports on an experimental series of scaled aircraft engine impact tests with reinforced UHPC panels. The investigations are focused on the material behavior and the damage intensity in comparison to conventional concrete. The fundamental work of is taken as reference for the evaluation of the results. The impactor model of a Phantom F4 GE-J79 engine developed and validated by Sugano et al. is used as defined in the original work. In order to achieve best comparability, the experimental configuration and method are adapted for the UHPC experiments. With 'penetration', 'scabbing' and 'perforation' all relevant damage modes defined in are investigated so that a full set of results are provided for a representative UHPC structural configuration.

  10. ASPECTS REGARDING IMPLICATIONS OF ASSOCIATIVE STRUCTURES FOR LOCAL DEVELOPMENT IN PROMOTING AND STRENGTHENING OF MULTILEVEL GOVERNANCE

    Directory of Open Access Journals (Sweden)

    Mihai Cristian APOSTOLACHE

    2014-12-01

    Full Text Available The need for the development of local communities in terms of economic and social policy-making requires finding answers institutional and public policy context in which the company is located. More and more the focus is on partnership and cooperation between the various actors of public life, on the involvement of private capital in local investment, on the establishment of companies to boost the joint venture or the establishment of local action groups to train both local public administration, the local economic environment, local non -governmental entities and other persons concerned in the design, implementation and completion of local development projects financed from European funds. The projects for local communities will receive support from the increasingly pronounced from the European Union, having regard to the fact that through the development of local communities will strengthen the European project.

  11. Emergence of steady and oscillatory localized structures in a phytoplankton-nutrient model

    Science.gov (United States)

    Zagaris, A.; Doelman, A.

    2011-12-01

    Co-limitation of marine phytoplankton growth by light and nutrient, both of which are essential for phytoplankton, leads to complex dynamic behaviour and a wide array of coherent patterns. The building blocks of this array can be considered to be deep chlorophyll maxima, or DCMs, which are structures localized in a finite depth interior to the water column. From an ecological point of view, DCMs are evocative of a balance between the inflow of light from the water surface and of nutrients from the sediment. From a (linear) bifurcational point of view, they appear through a transcritical bifurcation in which the trivial, no-plankton steady state is destabilized. This paper is devoted to the analytic investigation of the weakly nonlinear dynamics of these DCM patterns, and it has two overarching themes. The first of these concerns the fate of the destabilizing stationary DCM mode beyond the centre manifold regime. Exploiting the natural singularly perturbed nature of the model, we derive an explicit reduced model of asymptotically high dimension which fully captures these dynamics. Our subsequent and fully detailed study of this model—which involves a subtle asymptotic analysis necessarily transgressing the boundaries of a local centre manifold reduction—establishes that a stable DCM pattern indeed appears from a transcritical bifurcation. However, we also deduce that asymptotically close to the original destabilization, the DCM loses its stability in a secondary bifurcation of Hopf type. This is in agreement with indications from numerical simulations available in the literature. Employing the same methods, we also identify a much larger DCM pattern. The development of the method underpinning this work—which, we expect, shall prove useful for a larger class of models—forms the second theme of this paper.

  12. Oxygen-storage behavior and local structure in Ti-substituted YMnO3

    Science.gov (United States)

    Levin, I.; Krayzman, V.; Vanderah, T. A.; Tomczyk, M.; Wu, H.; Tucker, M. G.; Playford, H. Y.; Woicik, J. C.; Dennis, C. L.; Vilarinho, P. M.

    2017-02-01

    Hexagonal manganates RMnO3 (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn1-xTix)O3 solid solutions exhibit facile oxygen absorption/desorption via reversible Ti3+↔Ti4+ and Mn3+↔Mn4+ reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn3+1-x-yMn4+yTi4+xO3+δ. The presence of Ti promotes the oxidation of Mn3+ to Mn4+, which is almost negligible for YMnO3 in air, thereby increasing the uptake of oxygen beyond that required for a given Ti4+ concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO5] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO3 structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO5] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti4+(and Mn4+) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with

  13. Modeling of Local BEAM Structure for Evaluation of MMOD Impacts to Support Development of a Health Monitoring System

    Science.gov (United States)

    Lyle, Karen H.; Vassilakos, Gregory J.

    2015-01-01

    This report summarizes initial modeling of the local response of the Bigelow Expandable Activity Module (BEAM) to micrometeorite and orbital debris (MMOD) impacts using a structural, non-linear, transient dynamic finite element code. Complementary test results for a local BEAM structure are presented for both hammer and projectile impacts. Review of these data provided guidance for the transient dynamic model development. The local model is intended to support predictions using the global BEAM model, described in a companion report. Two types of local models were developed. One mimics the simplified Soft-Goods (fabric envelop) part of the BEAM NASTRAN model delivered by the project. The second investigates through-the-thickness modeling challenges for MMOD-type impacts. Both the testing and the analysis summaries contain lessons learned and areas for future efforts.

  14. Remote Sensing-Based Characterization of Settlement Structures for Assessing Local Potential of District Heat

    Directory of Open Access Journals (Sweden)

    Michael Nast

    2011-07-01

    Full Text Available In Europe, heating of houses and commercial areas is one of the major contributors to greenhouse gas emissions. When considering the drastic impact of an increasing emission of greenhouse gases as well as the finiteness of fossil resources, the usage of efficient and renewable energy generation technologies has to be increased. In this context, small-scale heating networks are an important technical component, which enable the efficient and sustainable usage of various heat generation technologies. This paper investigates how the potential of district heating for different settlement structures can be assessed. In particular, we analyze in which way remote sensing and GIS data can assist the planning of optimized heat allocation systems. In order to identify the best suited locations, a spatial model is defined to assess the potential for small district heating networks. Within the spatial model, the local heat demand and the economic costs of the necessary heat allocation infrastructure are compared. Therefore, a first and major step is the detailed characterization of the settlement structure by means of remote sensing data. The method is developed on the basis of a test area in the town of Oberhaching in the South of Germany. The results are validated through detailed in situ data sets and demonstrate that the model facilitates both the calculation of the required input parameters and an accurate assessment of the district heating potential. The described method can be transferred to other investigation areas with a larger spatial extent. The study underlines the range of applications for remote sensing-based analyses with respect to energy-related planning issues.

  15. Crustal Structure in the Western Part of Romania from Local Seismic Tomography

    Science.gov (United States)

    Zaharia, Bogdan; Grecu, Bogdan; Popa, Mihaela; Oros, Eugen; Radulian, Mircea

    2017-12-01

    The inner part of the Carpathians in Romania belongs to the Carpathians-Pannonian system bordered by the Eastern Carpathians to the north and east, Southern Carpathians to the south and Pannonian Basin to the west. It is a complex tectonic region with differential folding mechanisms, post-collisional kinematics, rheology and thermal properties, including within its area the Apuseni Mountains and the Transylvanian Basin. The purpose of this study is to map the 3-D structure of the crust over this region on the basis of local earthquake data. Input data were recorded during the South Carpathian Project (2009–2011), a successful collaboration between the Institute of Geophysics and Tectonics of the University of Leeds and the National Institute for Earth Physics (NIEP), Romania. A temporary array of 32 broadband seismic stations (10 CMG-40T, 8 CMG-3T and 14 CMG-6TD) was installed across the western part of Romania (spaced at 40 to 50 km intervals) during the project. In addition, 25 stations deployed in the eastern Hungary and Serbia was considered. P- and S-wave arrivals are identified for all the selected events (minimum 7 phases per event with reasonable signal/noise ratio). All the events are first relocated using Joint Hypocentre Determination (JHD) technique. Then the well-located events were inverted to determine the crustal structure using LOTOS algorithm. The lateral variations of the crustal properties as resulted from the tomography image are interpreted in correlation with the station corrections estimated by JHD algorithm and with the post-collisional evolution of the Carpathians-Pannonian system.

  16. Understanding fluxes as media for directed synthesis: in situ local structure of molten potassium polysulfides.

    Science.gov (United States)

    Shoemaker, Daniel P; Chung, Duck Young; Mitchell, J F; Bray, Travis H; Soderholm, L; Chupas, Peter J; Kanatzidis, Mercouri G

    2012-06-06

    Rational exploratory synthesis of new materials requires routes to discover novel phases and systematic methods to tailor their structures and properties. Synthetic reactions in molten fluxes have proven to be an excellent route to new inorganic materials because they promote diffusion and can serve as an additional reactant, but little is known about the mechanisms of compound formation, crystal precipitation, or behavior of fluxes themselves at conditions relevant to synthesis. In this study we examine the properties of a salt flux system that has proven extremely fertile for growth of new materials: the potassium polysulfides spanning K(2)S(3) and K(2)S(5), which melt between 302 and 206 °C. We present in situ Raman spectroscopy of melts between K(2)S(3) and K(2)S(5) and find strong coupling between n in K(2)S(n) and the molten local structure, implying that the S(n)(2-) chains in the crystalline state are mirrored in the melt. In any reactive flux system, K(2)S(n) included, a signature of changing species in the melt implies that their evolution during a reaction can be characterized and eventually controlled for selective formation of compounds. We use in situ X-ray total scattering to obtain the pair distribution function of molten K(2)S(5) and model the length of S(n)(2-) chains in the melt using reverse Monte Carlo simulations. Combining in situ Raman and total scattering provides a path to understanding the behavior of reactive media and should be broadly applied for more informed, targeted synthesis of compounds in a wide variety of inorganic fluxes.

  17. C-H local modes in cyclobutene. II. Laser photoacoustic studies 10 000-17 000 cm-1. Vibrational structure and C-H local mode dynamics

    Science.gov (United States)

    Baggott, J. E.; Law, D. W.; Lightfoot, P. D.; Mills, I. M.

    1986-11-01

    In part I of this study [Baggott, Clase, and Mills, Spectrochim. Acta Part A 42, 319 (1986)] we presented FTIR spectra of gas phase cyclobutene and modeled the v=1-3 stretching states of both olefinic and methylenic C-H bonds in terms of a local mode model. In this paper we present some improvements to our original model and make use of recently derived ``x,K relations'' to find the equivalent normal mode descriptions. The use of both the local mode and normal mode approaches to modeling the vibrational structure is described in some detail. We present evidence for Fermi resonance interactions between the methylenic C-H stretch overtones and ring C-C stretch vibrations, revealed in laser photoacoustic spectra in the v=4-6 region. An approximate model vibrational Hamiltonian is proposed to explain the observed structure and is used to calculate the dynamics of the C-H stretch local mode decay resulting from interaction with lower frequency ring modes. The implications of our experimental and theoretical studies for mode-selective photochemistry are discussed briefly.

  18. Ab initio study of the effects of dilute defects on the local structure of unalloyed δ-plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, Sarah Christine [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kisiel, Elliot Steven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Freibert, Franz Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-11-22

    We used density functional theory to examine the effects impurities and vacancies in the dilute limit in order to explore the effects on the local structure of the unalloyed face centered cubic δ-Pu lattice. The impurities considered are the radioactive daughter U or stabilizers in δ-phase stabilizer Ga. These impurities were placed at various interstitial sites, including octahedral, tetrahedral, and split interstitial along the (100) direction, as well as substitutional lattice sites. Self-interstitials, mono and di-vacancies were also considered. In addition we examined impurity-vacancy complexes at first and second nearest neighboring distances from each other. Radial distribution functions were plotted to gauge the local structural variations around the defect within the lattice and volume change with structural variation quantifies influence on thermodynamics. These local distortions will be discussed in this report.

  19. A Comparison Study of Extreme Learning Machine and Least Squares Support Vector Machine for Structural Impact Localization

    Directory of Open Access Journals (Sweden)

    Qingsong Xu

    2014-01-01

    Full Text Available Extreme learning machine (ELM is a learning algorithm for single-hidden layer feedforward neural network dedicated to an extremely fast learning. However, the performance of ELM in structural impact localization is unknown yet. In this paper, a comparison study of ELM with least squares support vector machine (LSSVM is presented for the application on impact localization of a plate structure with surface-mounted piezoelectric sensors. Both basic and kernel-based ELM regression models have been developed for the location prediction. Comparative studies of the basic ELM, kernel-based ELM, and LSSVM models are carried out. Results show that the kernel-based ELM requires the shortest learning time and it is capable of producing suboptimal localization accuracy among the three models. Hence, ELM paves a promising way in structural impact detection.

  20. Local electronic structure and ferromagnetic interaction in La(Co,Ni)O3

    Science.gov (United States)

    Schuppler, S.; Nagel, P.; Fuchs, D.; Löhneysen, H. V.; Merz, M.; Huang, M.-J.

    Perovskite-related transition-metal oxides exhibit properties ranging from insulating to superconducting as well as unusual magnetic phases, and cobaltates, in particular, have been known for their propensity for spin-state transitions. Nonmagnetic LaCoO3 and paramagnetic LaNiO3 are parent compounds for the La(Co1-xNix) O3 (LCNO) family, which, for intermediate Ni content x, exhibits ferromagnetism. The local electronic structure and the ferromagnetic interaction in LCNO have been studied by x-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD). XAS indicates a mixed-valence state for both Co and Ni, with both valences changing systematically with increasing x. Simultaneously, a spin-state redistribution towards HS (Co site) and LS (Ni site) occurs, and temperature-dependent spin-state transitions are increasingly suppressed. XMCD identifies the element-specific contributions to the magnetic moment and interactions. A simple model based on a double-exchange-like mechanism between Co3+ HS and Ni3+HS can qualitatively account for the evolution of ferromagnetism in the LCNO series.

  1. Fluid-structure interaction of complex bodies in two-phase flows on locally refined grids

    Science.gov (United States)

    Angelidis, Dionysios; Shen, Lian; Sotiropoulos, Fotis

    2016-11-01

    Many real-life flow problems in engineering applications involve fluid-structure interaction (FSI) of arbitrarily complex geometries interacting with free surface flows. Despite the recent significant computational advances, conventional numerical methods are inefficient to resolve the prevailing complex dynamics due to the inherent large disparity of spatial and temporal scales that emerge in the air/water phases of the flow and around rigid bodies. To this end, the new generation 3D, unsteady, unstructured Cartesian incompressible flow solver, developed at the Saint Anthony Falls Laboratory (SAFL), is integrated with a FSI immersed boundary method and is coupled with the level-set formulation. The predictive capabilities of our method to simulate non-linear free surface phenomena, with low computational cost, are significantly improved by locally refining the computational grid in the vicinity of solid boundaries and around the free surface interface. We simulate three-dimensional complex flows involving complex rigid bodies interacting with a free surface both with prescribed body motion and coupled FSI and we investigate breaking wave events. In all the cases, very good agreement with benchmark data is found. This material is based upon work supported by the National Science Foundation (CBET-1509071).

  2. Local structure, paramagnetic properties, and porosity of natural coals: Spectroscopic studies

    Science.gov (United States)

    Konchits, A. A.; Shanina, B. D.; Valakh, M. Ya.; Yanchuk, I. B.; Yukhymchuk, V. O.; Alexeev, A. D.; Vasilenko, T. A.; Molchanov, A. N.; Kirillov, A. K.

    2012-08-01

    Using methods of the scanning electron microscopy, Raman scattering of light(RS), and electron paramagnetic resonance (EPR), consistent research of the local structure and magnetic features of different types of raw coal samples from Donetsk basin is carried out. It is established that the ratio of the main peak intensities of RS spectrum D and G is inversely related to the volatile substance amount Vdaf in the coal samples. The study of the kinetic behavior of the EPR line width in hydrogen, oxygen, and methane sorption-desorption processes in each coal sample helped determine that the diffusion coefficient value for hydrogen in coal at room temperature is equal to DН = (2 ÷ 7) × 10-5 cm2/s. It is demonstrated that the oxygen diffusion occurs with time according to two different exponential laws with diffusion coefficients DO,1 = 5 × 10-6 cm2/s and DO,2 = 5.5 × 10-7 cm2/s, respectively. The smaller coefficient corresponds to the diffusion caused by the hopping process. Finally, it is established that the anthracite is a unique type of coal which does not possess the ability "to conserve" the significant EPR line width after oxygen pumping out from the samples.

  3. Local motion adaptation enhances the representation of spatial structure at EMD arrays.

    Science.gov (United States)

    Li, Jinglin; Lindemann, Jens P; Egelhaaf, Martin

    2017-12-01

    Neuronal representation and extraction of spatial information are essential for behavioral control. For flying insects, a plausible way to gain spatial information is to exploit distance-dependent optic flow that is generated during translational self-motion. Optic flow is computed by arrays of local motion detectors retinotopically arranged in the second neuropile layer of the insect visual system. These motion detectors have adaptive response characteristics, i.e. their responses to motion with a constant or only slowly changing velocity decrease, while their sensitivity to rapid velocity changes is maintained or even increases. We analyzed by a modeling approach how motion adaptation affects signal representation at the output of arrays of motion detectors during simulated flight in artificial and natural 3D environments. We focused on translational flight, because spatial information is only contained in the optic flow induced by translational locomotion. Indeed, flies, bees and other insects segregate their flight into relatively long intersaccadic translational flight sections interspersed with brief and rapid saccadic turns, presumably to maximize periods of translation (80% of the flight). With a novel adaptive model of the insect visual motion pathway we could show that the motion detector responses to background structures of cluttered environments are largely attenuated as a consequence of motion adaptation, while responses to foreground objects stay constant or even increase. This conclusion even holds under the dynamic flight conditions of insects.

  4. Capturing the Local Adsorption Structures of Carbon Dioxide in Polyamine-Impregnated Mesoporous Silica Adsorbents.

    Science.gov (United States)

    Huang, Shing-Jong; Hung, Chin-Te; Zheng, Anmin; Lin, Jen-Shan; Yang, Chun-Fei; Chang, Yu-Chi; Deng, Feng; Liu, Shang-Bin

    2014-09-18

    Interactions between amines and carbon dioxide (CO2) are essential to amine-functionalized solid adsorbents for carbon capture, and an in-depth knowledge of these interactions is crucial to adsorbent design and fabrication as well as adsorption/desorption processes. The local structures of CO2 adsorbed on a tetraethylenepentamine-impregnated mesoporous silica SBA-15 were investigated by solid-state (13)C{(14)N} S-RESPDOR MAS NMR technique and theoretical DFT calculations. Two types of adsorption species, namely, secondary and tertiary carbamates as well as distant ammonium groups were identified together with their relative concentrations and relevant (14)N quadrupolar parameters. Moreover, a dipolar coupling of 716 Hz was derived, corresponding to a (13)C-(14)N internuclear distance of 1.45 Å. These experimental data are in excellent agreement with results obtained from DFT calculations, revealing that the distribution of surface primary and secondary amines readily dictates the CO2 adsorption/desorption properties of the adsorbent.

  5. Unravelling the local structure of topological crystalline insulators using hyperfine interactions

    CERN Document Server

    Phenomena emerging from relativistic electrons in solids have become one the main topical subjects in condensed matter physics. Among a wealth of intriguing new phenomena, several classes of materials have emerged including graphene, topological insulators and Dirac semi-metals. This project is devoted to one such class of materials, in which a subtle distortion of the crystalline lattice drives a material through different topological phases: Z$_{2}$ topological insulator (Z$_{2}$-TI), topological crystalline insulator (TCI), or ferroelectric Rashba semiconductor (FERS). We propose to investigate the local structure of Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te (with $\\textit{x}$ from 0 to 1) using a combination of experimental techniques based on hyperfine interactions: emission Mössbauer spectroscopy (eMS) and perturbed angular correlation spectroscopy (PAC). In particular, we propose to study the effect of composition ($\\textit{x}$ in Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te) on: \\\\ \\\\(1) the mag...

  6. Local electronic structure and photoelectrochemical activity of partial chemically etched Ti-doped hematite

    Science.gov (United States)

    Rioult, Maxime; Belkhou, Rachid; Magnan, Hélène; Stanescu, Dana; Stanescu, Stefan; Maccherozzi, Francesco; Rountree, Cindy; Barbier, Antoine

    2015-11-01

    The direct conversion of solar light into chemical energy or fuel through photoelectrochemical water splitting is promising as a clean hydrogen production solution. Ti-doped hematite (Ti:α-Fe2O3) is a potential key photoanode material, which despite its optimal band gap, excellent chemical stability, abundance, non-toxicity and low cost, still has to be improved. Here we give evidence of a drastic improvement of the water splitting performances of Ti-doped hematite photoanodes upon a HCl wet-etching. In addition to the topography investigation by atomic force microscopy, a detailed determination of the local electronic structure has been carried out in order to understand the phenomenon and to provide new insights in the understanding of solar water splitting. Using synchrotron radiation based spectromicroscopy (X-PEEM), we investigated the X-ray absorption spectral features at the L3 Fe edge of the as grown surface and of the wet-etched surface on the very same sample thanks to patterning. We show that HCl wet etching leads to substantial surface modifications of the oxide layer including increased roughness and chemical reduction (presence of Fe2 +) without changing the band gap. We demonstrate that these changes are profitable and correlated to the drastic changes of the photocatalytic activity.

  7. Weak links between fast mobility and local structure in molecular and atomic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Bernini, S. [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); Puosi, F. [Laboratoire de Physique de l’École Normale Supérieure de Lyon, UMR CNRS 5672, 46 allée d’Italie, 69007 Lyon (France); Leporini, D., E-mail: dino.leporini@df.unipi.it [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); IPCF-CNR, UOS Pisa, Pisa (Italy)

    2015-03-28

    We investigate by molecular-dynamics simulations, the fast mobility—the rattling amplitude of the particles temporarily trapped by the cage of the neighbors—in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable repulsive and attractive exponents in a range which is a characteristic of small n-alkanes and n-alcohols. Possible links between the fast mobility and the geometry of the cage (size and shape) are searched. The correlations on a per-particle basis are rather weak. Instead, if one groups either the particles in fast-mobility subsets or the cages in geometric subsets, the increase of the fast mobility with both the size and the asphericity of the cage is revealed. The observed correlations are weak and differ in states with equal relaxation time. Local forces between a tagged particle and the first-neighbour shell do not correlate with the fast mobility in the molecular liquid. It is concluded that the cage geometry alone is unable to provide a microscopic interpretation of the known, universal link between the fast mobility and the slow structural relaxation. We suggest that the particle fast dynamics is affected by regions beyond the first neighbours, thus supporting the presence of collective, extended fast modes.

  8. Local interactions influence the fibrillation kinetics, structure and dynamics of Aβ(1-40) but leave the general fibril structure unchanged.

    Science.gov (United States)

    Adler, Juliane; Scheidt, Holger A; Krüger, Martin; Thomas, Lars; Huster, Daniel

    2014-04-28

    A series of peptide mutants was studied to understand the influence of local physical interactions on the fibril formation mechanism of amyloid β (Aβ)(1-40). In the peptide variants, the well-known hydrophobic contact between residues phenylalanine 19 and leucine 34 was rationally modified. In single site mutations, residue phenylalanine 19 was replaced by amino acids that introduce higher structural flexibility by a glycine mutation or restrict the backbone flexibility by introduction of proline. Next, the aromatic phenylalanine was replaced by tyrosine or tryptophan, respectively, to probe the influence of additional hydrogen bond forming capacity in the fibril interior. Furthermore, negatively charged glutamate or positively charged lysine was introduced to probe the influence of electrostatics. In double mutants, the hydrophobic contact was replaced by a putative salt bridge (glutamate and lysine) or two electrostatically repelling lysine residues. The influence of these mutations on the fibrillation kinetics and morphology, cross-β structure as well as the local structure and dynamics was probed using fluorescence, transmission electron microscopy, X-ray diffraction, and solid-state NMR spectroscopy. While the fibrillation kinetics and the local structure and dynamics of the peptide variants were influenced by the introduction of these local fields, the overall morphology and cross-β structure of the fibrils remained very robust against all the probed interactions. Overall, 7 out of the 8 mutated peptides formed fibrils of very similar morphology compared to the wildtype. However, characteristic local structural and dynamical changes indicate that amyloid fibrils show an astonishing ability to respond to local perturbations but overall show a very homogenous mesoscopic organization.

  9. Correlation of Bulk Dielectric and Piezoelectric Properties to the Local Scale Phase Transformations, Domain Morphology, and Crystal Structure Modified

    Energy Technology Data Exchange (ETDEWEB)

    Priya, Shashank [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Viehland, Dwight [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

    2014-12-14

    Three year program entitled “Correlation of bulk dielectric and piezoelectric properties to the local scale phase transformations, domain morphology, and crystal structure in modified lead-free grain-textured ceramics and single crystals” was supported by the Department of Energy. This was a joint research program between D. Viehland and S. Priya at Virginia Tech. Single crystal and textured ceramics have been synthesized and characterized. Our goals have been (i) to conduct investigations of lead-free piezoelectric systems to establish the local structural and domain morphologies that result in enhanced properties, and (ii) to synthesize polycrystalline and grain oriented ceramics for understanding the role of composition, microstructure, and anisotropy

  10. The Presence of Turbulent and Ordered Local Structure within the ICME Shock-sheath and Its Contribution to Forbush Decrease

    Energy Technology Data Exchange (ETDEWEB)

    Shaikh, Zubair; Bhaskar, Ankush [Indian Institute of Geomagnetism (IIG), New Panvel, Navi Mumbai-410218 (India); Raghav, Anil, E-mail: raghavanil1984@gmail.com [University Department of Physics, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai-400098 (India)

    2017-08-01

    The transient interplanetary disturbances evoke short-time cosmic-ray flux decrease, which is known as Forbush decrease. The traditional model and understanding of Forbush decrease suggest that the sub-structure of an interplanetary counterpart of coronal mass ejection (ICME) independently contributes to cosmic-ray flux decrease. These sub-structures, shock-sheath, and magnetic cloud (MC) manifest as classical two-step Forbush decrease. The recent work by Raghav et al. has shown multi-step decreases and recoveries within the shock-sheath. However, this cannot be explained by the ideal shock-sheath barrier model. Furthermore, they suggested that local structures within the ICME’s sub-structure (MC and shock-sheath) could explain this deviation of the FD profile from the classical FD. Therefore, the present study attempts to investigate the cause of multi-step cosmic-ray flux decrease and respective recovery within the shock-sheath in detail. A 3D-hodogram method is utilized to obtain more details regarding the local structures within the shock-sheath. This method unambiguously suggests the formation of small-scale local structures within the ICME (shock-sheath and even in MC). Moreover, the method could differentiate the turbulent and ordered interplanetary magnetic field (IMF) regions within the sub-structures of ICME. The study explicitly suggests that the turbulent and ordered IMF regions within the shock-sheath do influence cosmic-ray variations differently.

  11. Electronic structure of {alpha}-Al{sub 2}O{sub 3} slabs: A local environment study

    Energy Technology Data Exchange (ETDEWEB)

    Darriba, German N., E-mail: darriba@fisica.unlp.edu.ar [Departamento de Fisica and Instituto de Fisica La Plata (IFLP, CONICET La Plata), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina); Faccio, Ricardo [Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Quimica, Universidad de la Republica, Gral. Flores 2124, P.O. Box 1157, Montevideo (Uruguay); Centro NanoMat, Polo Tecnologico de Pando, Facultad de Quimica, Universidad de la Republica, Cno. Aparicio Saravia s/n, 91000, Pando, Canelones (Uruguay); Renteria, Mario [Departamento de Fisica and Instituto de Fisica La Plata (IFLP, CONICET La Plata), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina)

    2012-08-15

    In this work we performed an ab initio/Density Functional Theory (DFT) study of structural and electronic properties of the (0 0 1) {alpha}-Al{sub 2}O{sub 3} surface. For this study we used two methods with different basis set: the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) and a linear combination of numerical localized atomic orbital basis sets, employing the WIEN2k code and the SIESTA code, respectively. In order to calculate the structural and electronic properties of the reconstructed surface, we calculated the final equilibrium atomic position with the SIESTA code and then the electric-field gradient (EFG) at Al sites was calculated with the FP-APW+lo code using the optimized positions. Using this procedure we found equilibrium structures with comparative lower energy than those obtained using only the FP-APW+lo method. The EFG tensor and the local structure for Al were studied as a function of the depth from the surface for the relaxed structures. We found that distances down to 6 A from the surface are sufficient to converge the EFG and the Al-O distances to bulk values. The predicted bulk EFG at the Al site is in good agreement with available experimental values. These results can be used for local probes purposes, e.g., in the case of doping, with important sensitivity for probes located close to the top of the surface, in particular for distances smaller than 6 A.

  12. Characterization of bud emergence 46 (BEM46) protein: Sequence, structural, phylogenetic and subcellular localization analyses

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Abhishek; Kollath-Leiß, Krisztina; Kempken, Frank, E-mail: fkempken@bot.uni-kiel.de

    2013-08-30

    Highlights: •All eukaryotes have at least a single copy of a bem46 ortholog. •The catalytic triad of BEM46 is illustrated using sequence and structural analysis. •We identified indels in the conserved domain of BEM46 protein. •Localization studies of BEM46 protein were carried out using GFP-fusion tagging. -- Abstract: The bud emergence 46 (BEM46) protein from Neurospora crassa belongs to the α/β-hydrolase superfamily. Recently, we have reported that the BEM46 protein is localized in the perinuclear ER and also forms spots close by the plasma membrane. The protein appears to be required for cell type-specific polarity formation in N. crassa. Furthermore, initial studies suggested that the BEM46 amino acid sequence is conserved in eukaryotes and is considered to be one of the widespread conserved “known unknown” eukaryotic genes. This warrants for a comprehensive phylogenetic analysis of this superfamily to unravel origin and molecular evolution of these genes in different eukaryotes. Herein, we observe that all eukaryotes have at least a single copy of a bem46 ortholog. Upon scanning of these proteins in various genomes, we find that there are expansions leading into several paralogs in vertebrates. Usingcomparative genomic analyses, we identified insertion/deletions (indels) in the conserved domain of BEM46 protein, which allow to differentiate fungal classes such as ascomycetes from basidiomycetes. We also find that exonic indels are able to differentiate BEM46 homologs of different eukaryotic lineage. Furthermore, we unravel that BEM46 protein from N. crassa possess a novel endoplasmic-retention signal (PEKK) using GFP-fusion tagging experiments. We propose that three residues namely a serine 188S, a histidine 292H and an aspartic acid 262D are most critical residues, forming a catalytic triad in BEM46 protein from N. crassa. We carried out a comprehensive study on bem46 genes from a molecular evolution perspective with combination of functional

  13. Local structural studies of Ba(1-x)K(x)Fe2As2 using atomic pair distribution function analysis.

    Science.gov (United States)

    Joseph, B; Zinth, V; Brunelli, M; Maroni, B; Johrendt, D; Malavasi, L

    2011-03-23

    Systematic local structural studies of the Ba(1-x)K(x)Fe(2)As(2) system are undertaken at room temperature using atomic pair distribution function analysis. The local structure of the Ba(1-x)K(x)Fe(2)As(2) is found to be well described by the long-range structure extracted from diffraction experiments, but with anisotropic atomic vibrations of the constituent atoms (U11 = U22 not equal U33). The crystal unit cell parameters, the FeAs(4) tetrahedral angle and the pnictogen height above the Fe-plane are seen to show systematic evolution with K doping, underlining the importance of the structural changes, in addition to the charge doping, in determining the properties of Ba(1-x)K(x)Fe(2)As(2).

  14. Crossed Ga2O3/SnO2 multiwire architecture: a local structure study with nanometer resolution.

    Science.gov (United States)

    Martínez-Criado, Gema; Segura-Ruiz, Jaime; Chu, Manh-Hung; Tucoulou, Remi; López, Iñaki; Nogales, Emilio; Mendez, Bianchi; Piqueras, Javier

    2014-10-08

    Crossed nanowire structures are the basis for high-density integration of a variety of nanodevices. Owing to the critical role of nanowires intersections in creating hybrid architectures, it has become a challenge to investigate the local structure in crossing points in metal oxide nanowires. Thus, if intentionally grown crossed nanowires are well-patterned, an ideal model to study the junction is formed. By combining electron and synchrotron beam nanoprobes, we show here experimental evidence of the role of impurities in the coupling formation, structural modifications, and atomic site configuration based on crossed Ga2O3/SnO2 nanowires. Our experiment opens new avenues for further local structure studies with both nanometer resolution and elemental sensitivity.

  15. LAG - S – ASSOCIATION STRUCTURES FOR LOCAL AND MICRO - REGIONAL DEVELOPMENT AND FOR ATTRACTING EUROPEAN FUNDS

    Directory of Open Access Journals (Sweden)

    APOSTOLACHE Mihai Cristian

    2013-12-01

    Full Text Available Local development, by means of attracting European funds, has become a priority for local authorities which, in the absence of sufficient financial resources for development, turn to partnerships with various actors in the economic and civil society to capitalize local and micro-regional potential in order to improve living conditions, to increase the quality of public services and to stimulate local initiatives. One of the partnership forms whose founding and functioning is supported by the European Union is the Local Action Group (henceforth called LAG, an associative, non-governmental form which brings together municipalities, businesses from the private sector and civil society entities within a particular geographic area. This public-private partnership is financially supported by the European Union through the National Rural Development, Axis IV, Leader, Measure 431 - Operation of Local Action Groups, acquiring skills and animating the territory.

  16. CMASA: an accurate algorithm for detecting local protein structural similarity and its application to enzyme catalytic site annotation

    Directory of Open Access Journals (Sweden)

    Li Gong-Hua

    2010-08-01

    Full Text Available Abstract Background The rapid development of structural genomics has resulted in many "unknown function" proteins being deposited in Protein Data Bank (PDB, thus, the functional prediction of these proteins has become a challenge for structural bioinformatics. Several sequence-based and structure-based methods have been developed to predict protein function, but these methods need to be improved further, such as, enhancing the accuracy, sensitivity, and the computational speed. Here, an accurate algorithm, the CMASA (Contact MAtrix based local Structural Alignment algorithm, has been developed to predict unknown functions of proteins based on the local protein structural similarity. This algorithm has been evaluated by building a test set including 164 enzyme families, and also been compared to other methods. Results The evaluation of CMASA shows that the CMASA is highly accurate (0.96, sensitive (0.86, and fast enough to be used in the large-scale functional annotation. Comparing to both sequence-based and global structure-based methods, not only the CMASA can find remote homologous proteins, but also can find the active site convergence. Comparing to other local structure comparison-based methods, the CMASA can obtain the better performance than both FFF (a method using geometry to predict protein function and SPASM (a local structure alignment method; and the CMASA is more sensitive than PINTS and is more accurate than JESS (both are local structure alignment methods. The CMASA was applied to annotate the enzyme catalytic sites of the non-redundant PDB, and at least 166 putative catalytic sites have been suggested, these sites can not be observed by the Catalytic Site Atlas (CSA. Conclusions The CMASA is an accurate algorithm for detecting local protein structural similarity, and it holds several advantages in predicting enzyme active sites. The CMASA can be used in large-scale enzyme active site annotation. The CMASA can be available by the

  17. An ensemble method for predicting subnuclear localizations from primary protein structures.

    Directory of Open Access Journals (Sweden)

    Guo Sheng Han

    Full Text Available BACKGROUND: Predicting protein subnuclear localization is a challenging problem. Some previous works based on non-sequence information including Gene Ontology annotations and kernel fusion have respective limitations. The aim of this work is twofold: one is to propose a novel individual feature extraction method; another is to develop an ensemble method to improve prediction performance using comprehensive information represented in the form of high dimensional feature vector obtained by 11 feature extraction methods. METHODOLOGY/PRINCIPAL FINDINGS: A novel two-stage multiclass support vector machine is proposed to predict protein subnuclear localizations. It only considers those feature extraction methods based on amino acid classifications and physicochemical properties. In order to speed up our system, an automatic search method for the kernel parameter is used. The prediction performance of our method is evaluated on four datasets: Lei dataset, multi-localization dataset, SNL9 dataset and a new independent dataset. The overall accuracy of prediction for 6 localizations on Lei dataset is 75.2% and that for 9 localizations on SNL9 dataset is 72.1% in the leave-one-out cross validation, 71.7% for the multi-localization dataset and 69.8% for the new independent dataset, respectively. Comparisons with those existing methods show that our method performs better for both single-localization and multi-localization proteins and achieves more balanced sensitivities and specificities on large-size and small-size subcellular localizations. The overall accuracy improvements are 4.0% and 4.7% for single-localization proteins and 6.5% for multi-localization proteins. The reliability and stability of our classification model are further confirmed by permutation analysis. CONCLUSIONS: It can be concluded that our method is effective and valuable for predicting protein subnuclear localizations. A web server has been designed to implement the proposed method

  18. Local Structure of La1-xSrxCoO3 determined from EXAFS and neutron PDF studies

    Energy Technology Data Exchange (ETDEWEB)

    Sundaram, N.; Jiang, Y.; Anderson, I. E.; Belanger, D. P.; Booth, C. H.; Bridges, F.; Mitchell, J. F.; Proffen, Th.; Zheng, H.

    2009-01-26

    The combined local structure techniques, extended x-ray absorption fine structure (EXAFS) and neutron pair distribution function analysis, have been used for temperatures 4<= T<= 330 K to rule out a large Jahn-Teller (JT) distortion of the Co-O bond in La1?xSrxCoO3 for a significant fraction of Co sites (x<= 0.35), indicating few, if any, JT-active, singly occupied eg Co sites exist.

  19. Recent Trends in Local-Scale Marine Biodiversity Reflect Community Structure and Human Impacts.

    Science.gov (United States)

    Elahi, Robin; O'Connor, Mary I; Byrnes, Jarrett E K; Dunic, Jillian; Eriksson, Britas Klemens; Hensel, Marc J S; Kearns, Patrick J

    2015-07-20

    The modern biodiversity crisis reflects global extinctions and local introductions. Human activities have dramatically altered rates and scales of processes that regulate biodiversity at local scales. Reconciling the threat of global biodiversity loss with recent evidence of stability at fine spatial scales is a major challenge and requires a nuanced approach to biodiversity change that integrates ecological understanding. With a new dataset of 471 diversity time series spanning from 1962 to 2015 from marine coastal ecosystems, we tested (1) whether biodiversity changed at local scales in recent decades, and (2) whether we can ignore ecological context (e.g., proximate human impacts, trophic level, spatial scale) and still make informative inferences regarding local change. We detected a predominant signal of increasing species richness in coastal systems since 1962 in our dataset, though net species loss was associated with localized effects of anthropogenic impacts. Our geographically extensive dataset is unlikely to be a random sample of marine coastal habitats; impacted sites (3% of our time series) were underrepresented relative to their global presence. These local-scale patterns do not contradict the prospect of accelerating global extinctions but are consistent with local species loss in areas with direct human impacts and increases in diversity due to invasions and range expansions in lower impact areas. Attempts to detect and understand local biodiversity trends are incomplete without information on local human activities and ecological context. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Oxygen-storage behavior and local structure in Ti-substituted YMnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Levin, I., E-mail: igor.levin@nist.gov [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Krayzman, V.; Vanderah, T.A. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Tomczyk, M. [Department of Ceramics and Glass Engineering, University of Aveiro, Aveiro 3810-193 (Portugal); Wu, H. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Tucker, M.G. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Playford, H.Y. [ISIS Facility, Rutherford Appleton Laboratory, Didcot, Oxford (United Kingdom); Woicik, J.C.; Dennis, C.L. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Vilarinho, P.M. [Department of Ceramics and Glass Engineering, University of Aveiro, Aveiro 3810-193 (Portugal)

    2017-02-15

    Hexagonal manganates RMnO{sub 3} (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn{sub 1−x}Ti{sub x})O{sub 3} solid solutions exhibit facile oxygen absorption/desorption via reversible Ti{sup 3+}↔Ti{sup 4+} and Mn{sup 3+}↔Mn{sup 4+} reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn{sup 3+}{sub 1−x-y}Mn{sup 4+}{sub y}Ti{sup 4+}{sub x}O{sub 3+δ}. The presence of Ti promotes the oxidation of Mn{sup 3+} to Mn{sup 4+}, which is almost negligible for YMnO{sub 3} in air, thereby increasing the uptake of oxygen beyond that required for a given Ti{sup 4+} concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO{sub 5}] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO{sub 3} structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO{sub 5}] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti{sup 4+}(and Mn{sup 4+}) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under

  1. Planing of land use of structural elements of ecological network at local level

    Directory of Open Access Journals (Sweden)

    Tretiak V.

    2016-05-01

    Full Text Available and Management projecting of structural elements of land use of the ecological network on the territory of the village council begins with ecological and landscape micro zoning of the territory of village council, held during the preparatory work for the drafting of land and are finished by the formation of environmentally homogeneous regions, to which the system components of ecological network are tied, as well as environmental measures in the form of local environmental restrictions (encumbrances in land usage and other natural resources. Additionally organization and territorial measures are projected that increase the ecological sustainability of the area: key, binders, buffer areas and renewable ecological network. The regional scheme of ecological network is intended for usage while projecting of creation of new territories that fall under special protection, for defining the tasks as for changing the category of land in the land use planning documents, for development of specifications regarding the reproduction of natural systems on conservation ready lands withdrawn from agricultural use, for accounting the problems of formation the areas of ecological network in forest management and land management projects, while development of the projects of areas organization of natural - reserve fund, in the definition of wetlands of international importance, in determining the habitats of various plants and animals of various categories of protection in accordance with international conventions and national laws - regulations, in planning targeted actions in the conservation of landscape and biological diversity. The main stages of designing local ecological network are: • inventory and identification of rights for land and other natural resources, drawing created territories and objects of natural reserve fund and other areas of natural systems on the planning and cartographic materials, which are under special protection; • rationale of

  2. Structural health monitoring of power plant components based on a local temperature measurement concept

    Energy Technology Data Exchange (ETDEWEB)

    Rudolph, Juergen; Bergholz, S.; Hilpert, R.; Jouan, B.; Goetz, A. [AREVA NP GmbH, Erlangen (Germany)

    2012-07-01

    The fatigue assessment of power plant components based on fatigue monitoring approaches is an essential part of the integrity concept and modern lifetime management. It is comparable to structural health monitoring approaches in other engineering fields. The methods of fatigue evaluation of nuclear power plant components based on realistic thermal load data measured on the plant are addressed. In this context the Fast Fatigue Evaluation (FFE) and Detailed Fatigue Calculation (DFC) of nuclear power plant components are parts of the three staged approach to lifetime assessment and lifetime management of the AREVA Fatigue Concept (AFC). The three stages Simplified Fatigue Estimation (SFE), Fast Fatigue Evaluation (FFE) and Detailed Fatigue Calculation (DFC) are characterized by increasing calculation effort and decreasing degree of conservatism. Their application is case dependent. The quality of the fatigue lifetime assessment essentially depends on one hand on the fatigue model assumptions and on the other hand on the load data as the basic input. In the case of nuclear power plant components thermal transient loading is most fatigue relevant. Usual global fatigue monitoring approaches rely on measured data from plant instrumentation. As an extension, the application of a local fatigue monitoring strategy (to be described in detail within the scope of this paper) paves the way of delivering continuously (nowadays at a frequency of 1 Hz) realistic load data at the fatigue relevant locations. Methods of qualified processing of these data are discussed in detail. Particularly, the processing of arbitrary operational load sequences and the derivation of representative model transients is discussed. This approach related to realistic load-time histories is principally applicable for all fatigue relevant components and ensures a realistic fatigue evaluation. (orig.)

  3. Localized structure in the cusp and high-latitude ionosphere: a modelling study

    Directory of Open Access Journals (Sweden)

    H. F. Balmforth

    1999-04-01

    Full Text Available The ionospheric signature of a flux transfer event (FTE seen in EISCAT radar data has been used as the basis for a modelling study using a new numerical model of the high-latitude ionosphere developed at the University of Sheffield, UK. The evolution of structure in the high-latitude ionosphere is investigated and examined with respect to the current views of polar patch formation and development. A localized velocity enhancement, of the type associated with FTEs, is added to the plasma as it passes through the cusp. This is found to produce a region of greatly enhanced ion temperature. The new model can provide greater detail during this event as it includes anisotropic temperature calculations for the O+ ions. This illustrates the uneven partitioning of the energy during an event of this type. O+ ion temperatures are found to become increasingly anisotropic, with the perpendicular temperature being substantially larger than the parallel component during the velocity enhancement. The enhanced temperatures lead to an increase in the recombination rate, which results in an alteration of the ion concentrations. A region of decreased O+ and increased molecular ion concentration develops in the cusp. The electron temperature is less enhanced than the ions. As the new model has an upper boundary of 10 000 km the topside can also be studied in great detail. Large upward fluxes are seen to transport plasma to higher altitudes, contributing to the alteration of the ion densities. Plasma is stored in the topside ionosphere and released several hours after the FTE has finished as the flux tube convects across the polar cap. This mechanism illustrates how concentration patches can be created on the dayside and be maintained into the nightside polar cap.Key words. Ionosphere (ionosphere-magnetosphere interactions; polar ionosphere. Magnetospheric physics (magnetopause · cusp and boundary layers

  4. The Connection between Galaxies and Dark Matter Structures in the Local Universe

    Energy Technology Data Exchange (ETDEWEB)

    Reddick, Rachel M.; Wechsler, Risa H.; Tinker, Jeremy L.; Behroozi, Peter S.

    2012-07-11

    We provide new constraints on the connection between galaxies in the local Universe, identified by the Sloan Digital Sky Survey (SDSS), and dark matter halos and their constituent substructures in the {Lambda}CDM model using WMAP7 cosmological parameters. Predictions for the abundance and clustering properties of dark matter halos, and the relationship between dark matter hosts and substructures, are based on a high-resolution cosmological simulation, the Bolshoi simulation. We associate galaxies with dark matter halos and subhalos using subhalo abundance matching, and perform a comprehensive analysis which investigates the underlying assumptions of this technique including (a) which halo property is most closely associated with galaxy stellar masses and luminosities, (b) how much scatter is in this relationship, and (c) how much subhalos can be stripped before their galaxies are destroyed. The models are jointly constrained by new measurements of the projected two-point galaxy clustering and the observed conditional stellar mass function of galaxies in groups. We find that an abundance matching model that associates galaxies with the peak circular velocity of their halos is in good agreement with the data, when scatter of 0.20 {+-} 0.03 dex in stellar mass at a given peak velocity is included. This confirms the theoretical expectation that the stellar mass of galaxies is tightly correlated with the potential wells of their dark matter halos before they are impacted by larger structures. The data put tight constraints on the satellite fraction of galaxies as a function of galaxy stellar mass and on the scatter between halo and galaxy properties, and rule out several alternative abundance matching models that have been considered. This will yield important constraints for galaxy formation models, and also provides encouraging indications that the galaxy - halo connection can be modeled with sufficient fidelity for future precision studies of the dark Universe.

  5. A hierarchical structure for human behavior classification using STN local field potentials.

    Science.gov (United States)

    Golshan, Hosein M; Hebb, Adam O; Hanrahan, Sara J; Nedrud, Joshua; Mahoor, Mohammad H

    2017-10-07

    Classification of human behavior from brain signals has potential application in developing closed-loop deep brain stimulation (DBS) systems. This paper presents a human behavior classification using local field potential (LFP) signals recorded from subthalamic nuclei (STN). A hierarchical classification structure is developed to perform the behavior classification from LFP signals through a multi-level framework (coarse to fine). At each level, the time-frequency representations of all six signals from the DBS leads are combined through an MKL-based SVM classifier to classify five tasks (speech, finger movement, mouth movement, arm movement, and random segments). To lower the computational cost, we alternatively use the inter-hemispheric synchronization of the LFPs to make three pairs out of six bipolar signals. Three classifiers are separately trained at each level of the hierarchical approach, which lead to three labels. A fusion function is then developed to combine these three labels and determine the label of the corresponding trial. Using all six LFPs with the proposed hierarchical approach improves the classification performance. Moreover, the synchronization-based method reduces the computational burden considerably while the classification performance remains relatively unchanged. Our experiments on two different datasets recorded from nine subjects undergoing DBS surgery show that the proposed approaches remarkably outperform other methods for behavior classification based on LFP signals. The LFP signals acquired from STNs contain useful information for recognizing human behavior. This can be a precursor for designing the next generation of closed-loop DBS systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Necessary Conditions for Nonlinear Ultrasonic Modulation Generation Given a Localized Fatigue Crack in a Plate-Like Structure

    Directory of Open Access Journals (Sweden)

    Hyung Jin Lim

    2017-02-01

    Full Text Available It has been shown that nonlinear ultrasonics can be more sensitive to local incipient defects, such as a fatigue crack, than conventional linear ultrasonics. Therefore, there is an increasing interest in utilizing nonlinear ultrasonics for structural health monitoring and nondestructive testing applications. While the conditions, which are the necessary conditions that should be satisfied for the generation of nonlinear harmonic components, are extensively studied for distributed material nonlinearity, little work has been done to understand the necessary conditions at the presence of a localized nonlinear source such as a fatigue crack. In this paper, the necessary conditions of nonlinear ultrasonic modulation generation in a plate-like structure are formulated specifically for a localized nonlinear source. Then, the correctness of the formulated necessary conditions is experimentally verified using ultrasounds obtained from aluminum plates.

  7. Exploration of the Brain's White Matter Structure through Visual Abstraction and Multi-Scale Local Fiber Tract Contraction

    NARCIS (Netherlands)

    Everts, Maarten; Begue, Eric; Bekker, Hendrik; Roerdink, Jos B. T. M.; Isenberg, Tobias

    We present a visualization technique for brain fiber tracts from DTI data that provides insight into the structure of white matter through visual abstraction. We achieve this abstraction by analyzing the local similarity of tract segment directions at different scales using a stepwise increase of

  8. Analyzing the effect of large rotations on the seismic response of structures subjected to foundation local uplift

    Directory of Open Access Journals (Sweden)

    El Abbas N.

    2016-01-01

    Full Text Available This work deals with seismic analysis of structures by taking into account soil-structure interaction where the structure is modeled by an equivalent flexible beam mounted on a rigid foundation that is supported by a Winkler like soil. The foundation is assumed to undergo local uplift and the rotations are considered to be large. The coupling of the system is represented by a series of springs and damping elements that are distributed over the entire width of the foundation. The non-linear equations of motion of the system were derived by taking into account the equilibrium of the coupled foundation-structure system where the structure was idealized as a single-degree-of-freedom. The seismic response of the structure was calculated under the occurrence of foundation uplift for both large and small rotations. The non-linear differential system of equations was integrated by using the Matlab command ode15s. The maximum response has been determined as function of the intensity of the earthquake, the slenderness of the structure and the damping ratio. It was found that considering local uplift with small rotations of foundation under seismic loading leads to unfavorable structural response in comparison with the case of large rotations.

  9. Nonlinear dynamic response analysis of localized damaged laminated composite structures in the context of component mode synthesis

    Science.gov (United States)

    Mahmoudi, S.; Trivaudey, F.; Bouhaddi, N.

    2015-07-01

    The aim of this study is the prediction of the dynamic response of damaged laminated composite structures in the context of component mode synthesis. Hence, a method of damage localization of complex structures is proposed. The dynamic behavior of transversely isotropic layers is expressed through elasticity coupled with damage based on an existing macro model for cracked structures. The damage is located only in some regions of the whole structure, which is decomposed on substructures. The incremental linear dynamic governing equations are obtained by using the classical linear Kirchhoff-Love theory of plates. Then, considering the damage-induced nonlinearity, the obtained nonlinear dynamic equations are solved in time domain. However, a detailed finite element modelling of such structure on the scale of localized damage would generate very high computational costs. To reduce this cost, Component Mode Synthesis method (CMS) is used for modelling a nonlinear fine-scale substructure damaged, connected to linear dynamic models of the remaining substructures, which can be condensed and not updated at each iteration. Numerical results show that the mechanical properties of the structure highly change when damage is taken into account. Under an impact load, damage increases and reaches its highest value with the maximum of the applied load and then remains unchanged. Besides, the eigenfrequencies of the damaged structure decrease comparing with those of an undamaged one. This methodology can be used for monitoring strategies and lifetime estimations of hybrid complex structures due to the damage state is known in space and time.

  10. Switchable amplification of vibrational circular dichroism as a probe of local chiral structure.

    Science.gov (United States)

    Domingos, Sérgio R; Sanders, Hans J; Hartl, František; Buma, Wybren J; Woutersen, Sander

    2014-12-15

    A new method to detect the vibrational circular dichroism (VCD) of a localized part of a chiral molecular system is reported. A local VCD amplifier was implemented, and the distance dependence of the amplification was investigated in a series of peptides. The results indicate a characteristic distance of 2.0±0.3 bonds, which suggests that the amplification is a localized phenomenon. The amplifier can be covalently coupled to a specific part of a molecule, and can be switched ON and OFF electrochemically. By subtracting the VCD spectra obtained when the amplifier is in the ON and OFF states, the VCD of the local environment of the amplifier can be separated from the total VCD spectrum. Switchable local VCD amplification thus makes it possible to "zoom in" on a specific part of a chiral molecule. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Full-field, high-spatial-resolution detection of local structural damage from low-resolution random strain field measurements

    Science.gov (United States)

    Yang, Yongchao; Sun, Peng; Nagarajaiah, Satish; Bachilo, Sergei M.; Weisman, R. Bruce

    2017-07-01

    Structural damage is typically a local phenomenon that initiates and propagates within a limited area. As such high spatial resolution measurement and monitoring is often needed for accurate damage detection. This requires either significantly increased costs from denser sensor deployment in the case of global simultaneous/parallel measurements, or increased measurement time and labor in the case of global sequential measurements. This study explores the feasibility of an alternative approach to this problem: a computational solution in which a limited set of randomly positioned, low-resolution global strain measurements are used to reconstruct the full-field, high-spatial-resolution, two-dimensional (2D) strain field and rapidly detect local damage. The proposed approach exploits the implicit low-rank and sparse data structure of the 2D strain field: it is highly correlated without many edges and hence has a low-rank structure, unless damage-manifesting itself as sparse local irregularity-is present and alters such a low-rank structure slightly. Therefore, reconstruction of the full-field, high-spatial-resolution strain field from a limited set of randomly positioned low-resolution global measurements is modeled as a low-rank matrix completion framework and damage detection as a sparse decomposition formulation, enabled by emerging convex optimization techniques. Numerical simulations on a plate structure are conducted for validation. The results are discussed and a practical iterative global/local procedure is recommended. This new computational approach should enable the efficient detection of local damage using limited sets of strain measurements.

  12. Model-based flaw localization from perturbations in the dynamic response of complex mechanical structures

    Energy Technology Data Exchange (ETDEWEB)

    Chambers, D H

    2009-02-24

    A new method of locating structural damage using measured differences in vibrational response and a numerical model of the undamaged structure has been presented. This method is particularly suited for complex structures with little or no symmetry. In a prior study the method successively located simulated damage from measurements of the vibrational response on two simple structures. Here we demonstrate that it can locate simulated damage in a complex structure. A numerical model of a complex structure was used to calculate the structural response before and after the introduction of a void. The method can now be considered for application to structures of programmatic interest. It could be used to monitor the structural integrity of complex mechanical structures and assemblies over their lifetimes. This would allow early detection of damage, when repair is relatively easy and inexpensive. It would also allow one to schedule maintenance based on actual damage instead of a time schedule.

  13. Localization of the places of stress-strain state changes of building structures based on the vibrodiagnostic measurement data

    Directory of Open Access Journals (Sweden)

    Shakhraman'yan Andrey Mikhaylovich

    Full Text Available The method of localization of changes in the deflected mode is based on the analysis of time series of oscillations (displacement, velocity, acceleration of building constructions and structures. The method is based on the hypothesis that any changes in the deflected mode of structures result in changes in the oscillation energy. In this case, once the information on the structure oscillation parameters in different points of the building is available, the changes in the oscillation energy will signify the changes in the deflected mode in the relevant points.

  14. Effects of self-irradiation on local crystal structure and 5flocalization in PuCoGa5

    Energy Technology Data Exchange (ETDEWEB)

    Booth, C.H.; Daniel, M.; Wilson, R.E.; Bauer, E.D.; Mitchell,J.N.; Moreno, N.O.; Morales, L.A.; Sarrao, J.L.; Allen, P.G.

    2006-10-20

    The 18.5 K superconductor PuCoGa{sub 5} has many unusual properties, including those due to damage induced by self-irradiation. The superconducting transition temperature decreases sharply with time, suggesting a radiation-induced Frenkel defect concentration much larger than predicted by current radiation damage theories. Extended x-ray absorption fine-structure measurements demonstrate that while the local crystal structure in fresh material is well ordered, aged material is disordered much more strongly than expected from simple defects, consistent with strong disorder throughout the damage cascade region. These data highlight the potential impact of local lattice distortions relative to defects on the properties of irradiated materials and underscore the need for more atomic-resolution structural comparisons between radiation damage experiments and theory.

  15. Local atomic and magnetic structure of dilute magnetic semiconductor (Ba ,K ) (Zn,Mn ) 2As2

    Science.gov (United States)

    Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; Banerjee, Soham; Chen, Bijuan; Jin, Changqing; Feygenson, Mikhail; Uemura, Yasutomo J.; Billinge, Simon J. L.

    2016-09-01

    We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba ,K )(Zn ,Mn )2As2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. We detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5 Å , resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment of Mn spins along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. We discuss these results in the context of other experiments and theoretical studies on this system.

  16. Local Atomic Structure and Superconductivity of NEODYMIUM(2-X) Cerium(x) COPPEROXIDE(4-Y): a Pair-Distribution Study

    Science.gov (United States)

    Billinge, Simon John Laird

    1992-01-01

    We have carried out a detailed Pair Distribution Function Analysis of powder diffraction data from samples of Nd_{2-x}Ce _{x}CuO _{4-y} with x = 0.165 and x = 0.2. The former is superconducting with an almost full Meissner fraction, and T_{c} = 22K. The latter is isostructural, but exhibits no superconductivity. A "real space refinement" of the PDF has been carried out to extract quantitative information about the local atomic structure of the material. Two main observations were made. The local structure is significantly different from the average crystal structure (T ^' structure) of this material. The differences are explained by displacements of oxygen. The second result was that the local structure changes with the appearance of superconductivity. This was the first observation of such a change in this material. These changes are explained by an increase in the degree of local order of the above mentioned oxygen displacements. The displacements are inhomogeneously distributed throughout the sample and interspersed with regions of undistorted crystal. We argue that this is best explained as the direct observation of the presence of polarons, or bipolarons in the structure. We speculate that the driving force that could give rise to these polarons is a strong coupling of the lattice with the O p_{z} states which lie just below the Fermi surface in the undistorted material. The effective mass of the (bi)polarons, calculated using values estimated from the experiment, was such as to give the bipolarons a condensation temperature of 17K. This is the same order of magnitude as the observed T _{c}. Thus it is plausible that the superconductivity is due to a bipolaronic condensation. The density of polarons is too small to account for all of the chemically doped carriers. Thus it appears that they form the minority of carriers. They coexist with a majority of high mobility, wide band, electronic states, of sigma character.

  17. Whole-brain structural topology in adult attention-deficit/hyperactivity disorder: Preserved global – disturbed local network organization

    Directory of Open Access Journals (Sweden)

    Justina Sidlauskaite

    2015-01-01

    Full Text Available Prior studies demonstrate altered organization of functional brain networks in attention-deficit/hyperactivity disorder (ADHD. However, the structural underpinnings of these functional disturbances are poorly understood. In the current study, we applied a graph-theoretic approach to whole-brain diffusion magnetic resonance imaging data to investigate the organization of structural brain networks in adults with ADHD and unaffected controls using deterministic fiber tractography. Groups did not differ in terms of global network metrics — small-worldness, global efficiency and clustering coefficient. However, there were widespread ADHD-related effects at the nodal level in relation to local efficiency and clustering. The affected nodes included superior occipital, supramarginal, superior temporal, inferior parietal, angular and inferior frontal gyri, as well as putamen, thalamus and posterior cerebellum. Lower local efficiency of left superior temporal and supramarginal gyri was associated with higher ADHD symptom scores. Also greater local clustering of right putamen and lower local clustering of left supramarginal gyrus correlated with ADHD symptom severity. Overall, the findings indicate preserved global but altered local network organization in adult ADHD implicating regions underpinning putative ADHD-related neuropsychological deficits.

  18. Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.

    Science.gov (United States)

    Joseph, Jerelle A; Whittleston, Chris S; Wales, David J

    2016-12-13

    We investigate how the underlying potential energy landscape for a tryptophan zipper changes as indole rings, peptide bonds, termini, and trigonal planar centers are systematically grouped into local rigid bodies. The local rigid body framework results in a substantial computational speedup by effectively reducing the total number of degrees of freedom. Benchmarks are presented for the thermodynamics and folding mechanism. In general, the melting transition, as well as the precise sequence of folding events, is accurately reproduced with conservative local rigidification. However, aggressive rigidification leads to increased topological frustration and a concomitant slowing down of the global kinetics. Our results suggest that an optimal choice of local rigidification, and perhaps a hierarchical approach, could be very useful for investigating complex pathways in biomolecules.

  19. Encoding the structure of many-body localization with matrix product operators

    Science.gov (United States)

    Pekker, David; Clark, Bryan K.

    2017-01-01

    Anderson insulators are noninteracting disordered systems which have localized single-particle eigenstates. The interacting analog of Anderson insulators are the many-body localized (MBL) phases. The spectrum of the many-body eigenstates of an Anderson insulator is efficiently represented as a set of product states over the single-particle modes. We show that product states over matrix product operators of small bond dimension is the corresponding efficient description of the spectrum of an MBL insulator. In this language all of the many-body eigenstates are encoded by matrix product states (i.e., density matrix renormalization group wave functions) consisting of only two sets of low bond dimension matrices per site: the Gi matrices corresponding to the local ground state on site i and the Ei matrices corresponding to the local excited state. All 2n eigenstates can be generated from all possible combinations of these sets of matrices.

  20. Local Knowledge About The Structure, Function And Conversion Of Landscape In The Karangwangi Village, Cianjur, West Java, Indonesia

    Science.gov (United States)

    Ulfa Dwi Amelia, Fatiya; Iskandar, Johan

    2017-10-01

    Karangwangi people is one of indigenous people in West Java who has local knowledge about their nature thoroughly. They have local tradition about landscape ecosystem arrangement that based on sakral (sacred) norm. With this rule, local people will always try to preserve the sustainability of their natural environment. However, modernization, increasing population, decreasing forest, and increasing market economic penetration, causing this rule and structure of landscape in Karangwangi village has changed. Land conversion in Karangwangi was occur because of settlement and land investment by people outside the village. These behavior changes in tradition and landscape (structure, function and conversion) in Karangwangi may impact on their daily activities, and so do the changes in daily activities can change their behavior in tradition and landscape. This research was undertaken in the Village of Karangwangi, Sub-district of Cidaun, District of Cianjur, Province of West Java, Indonesia. This paper aims to identify how indigenous people in Karangwangi understand kinds of landscape and another conversion that was happen as a result of management. The method used in this paper is qualitative with ethno ecological approach. The resulted of the study show that local people in Karangwangi Village understand how chronological of landscape structure, function and conversion.

  1. Low-redshift effects of local structure on the Hubble parameter in presence of a cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Romano, Antonio Enea [University of Crete, Department of Physics and CCTP, Heraklion (Greece); Kyoto University, Yukawa Institute for Theoretical Physics, Kyoto (Japan); Universidad de Antioquia, Instituto de Fisica, Medellin (Colombia); Vallejo, Sergio Andres [Kyoto University, Yukawa Institute for Theoretical Physics, Kyoto (Japan); Universidad de Antioquia, Instituto de Fisica, Medellin (Colombia)

    2016-04-15

    In order to estimate the effects of a local structure on the Hubble parameter we calculate the low-redshift expansion for H(z) and (δH)/(H) for an observer at the center of a spherically symmetric matter distribution in the presence of a cosmological constant. We then test the accuracy of the formulas comparing them with fully relativistic non-perturbative numerical calculations for different cases for the density profile. The low-redshift expansion we obtain gives results more precise than perturbation theory since it is based on the use of an exact solution of Einstein's field equations. For larger density contrasts the low-redshift formulas accuracy improves respect to the perturbation theory accuracy because the latter is based on the assumption of a small density contrast, while the former does not rely on such an assumption. The formulas can be used to take into account the effects on the Hubble expansion parameter due to the monopole component of the local structure. If the H(z) observations will show deviations from the ΛCDM prediction compatible with the formulas we have derived, this could be considered an independent evidence of the existence of a local inhomogeneity, and the formulas could be used to determine the characteristics of this local structure. (orig.)

  2. The role of local secondary structure in the function of the trans-splicing motif of Brugia malayi.

    Science.gov (United States)

    Liu, Canhui; Chauhan, Chitra; Unnasch, Thomas R

    2010-02-01

    A 7-nt motif (the trans-splicing motif or TSM) was previously shown to be necessary and sufficient to direct trans-splicing of transgenic mRNAs in transgenic Brugia malayi embryos. Insertion of the TSM into two genes lacking a TSM homologue resulted in trans-splicing of transgenic mRNAs from one transgene but not the other, suggesting that local sequence context might affect TSM function. To test this hypothesis, constructs inserting the TSM into different positions of two B. malayi genes were tested for their ability to support trans-splicing of transgenic mRNAs. Transgenic mRNAs derived from constructs in which the insertion of the TSM did not result in a perturbation of the local predicted secondary structure were trans-spliced, while those in which the TSM perturbed the local secondary structure were not. These data suggest that local secondary structure plays a role in the ability of the TSM to direct trans-splicing.

  3. The role of local secondary structure in the function of the trans splicing motif of Brugia malayi

    Science.gov (United States)

    Liu, Canhui; Chauhan, Chitra; Unnasch, Thomas R.

    2009-01-01

    A 7nt motif (the trans-splicing motif or TSM) was previously shown to be necessary and sufficient to direct trans-splicing of transgenic mRNAs in transgenic B. malayi embryos. Insertion of the TSM into two genes lacking a TSM homologue resulted in-trans splicing of transgenic mRNAs from one transgene but not the other, suggesting that local sequence context might affect TSM function. To test this hypothesis, constructs inserting the TSM into different positions of two B. malayi genes were tested for their ability to support trans-splicing of transgenic mRNAs. Transgenic mRNAs derived from constructs in which the insertion of the TSM did not result in a perturbation of the local predicted secondary structure were trans-spliced, while those in which the TSM perturbed the local secondary structure were not. These data suggest that local secondary structure plays a role in the ability of the TSM to direct trans-splicing. PMID:19852985

  4. Hybrid local FEM/global LISA modeling of guided wave propagation and interaction with damage in composite structures

    Science.gov (United States)

    Shen, Yanfeng; Cesnik, Carlos E. S.

    2015-03-01

    This paper presents a hybrid modeling technique for the efficient simulation of guided wave propagation and interaction with damage in composite structures. This hybrid approach uses a local finite element model (FEM) to compute the excitability of guided waves generated by piezoelectric transducers, while the global domain wave propagation, wave-damage interaction, and boundary reflections are modeled with the local interaction simulation approach (LISA). A small-size multi-physics FEM with non-reflective boundaries (NRB) was built to obtain the excitability information of guided waves generated by the transmitter. Frequency-domain harmonic analysis was carried out to obtain the solution for all the frequencies of interest. Fourier and inverse Fourier transform and frequency domain convolution techniques are used to obtain the time domain 3-D displacement field underneath the transmitter under an arbitrary excitation. This 3-D displacement field is then fed into the highly efficient time domain LISA simulation module to compute guided wave propagation, interaction with damage, and reflections at structural boundaries. The damping effect of composite materials was considered in the modified LISA formulation. The grids for complex structures were generated using commercial FEM preprocessors and converted to LISA connectivity format. Parallelization of the global LISA solution was achieved through Compute Unified Design Architecture (CUDA) running on Graphical Processing Unit (GPU). The multi-physics local FEM can reliably capture the detailed dimensions and local dynamics of the piezoelectric transducers. The global domain LISA can accurately solve the 3-D elastodynamic wave equations in a highly efficient manner. By combining the local FEM with global LISA, the efficient and accurate simulation of guided wave structural health monitoring procedure is achieved. Two numerical case studies are presented: (1) wave propagation in a unidirectional CFRP composite plate

  5. STRUCTURE FORMATION OF HYPOEUTECTOID CONSTRUCTIONS STEELS AT CARBONITRIDING WITH LOCAL INDUCTION CYCLIC HEATING

    Directory of Open Access Journals (Sweden)

    G. A. Tkachenko

    2010-01-01

    Full Text Available Improvement of mechanical characteristics of details of the soil-cultivating car. Structurization at cyclic heating of steels. The reasons of an intensification of diffusion at cyclic heating. Structure crushing, impact strength and hardness increase.

  6. Compared study of the local structure of alteration products of SON 68 glass and natural gels; Etude comparee de la structure locale des produits d'alteration du verre SON 68 et de gels naturels

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrin, E

    2000-07-01

    This study is a contribution in the understanding of the long time behavior of alteration products of the glass SON 68, used to simulate the nuclear glass R7T7. The local structure around Zirconium and iron has been probed using X-ray absorption spectroscopy in altered surface layer of glass SON 68. Alteration products of this glass have been prepared for short (3 hours to 7 days) and long (17 months) time, using various indexes of saturation for the leaching solution with respect to the Si content of the glass (from 0 to 90 %). The evolution of the local structure around Fe has also been studied in recent and old natural ferric gels. Zr, Fe- L{sub 2,3} XANES and Zr, Fe-K EXAFS spectroscopies have shown that, in the pristine glass, these elements are connected to the polymeric network. Zr is found in an environment close to that of a zircon-silicate containing Na and Ca. Trivalent Fe is a network former. The leached layer of glass SON 68 is constituted of poorly ordered Zr-and Fe-(oxi-hydr)oxides that may have been formed by a mechanism of dissolution/precipitation; a relict phase with the same Zr local structure as that observed in the pristine glass, probably obtained thanks to in-situ solid condensation. The structural characteristics of the leached layer are observed from the first steps of alteration for Zr and Fe. Conversely to Fe, the structural status of Zr depends on the leaching kinetic as well as the contents of Ca and Si in the solid. Fe-K EXAFS results in recent natural ferri-hydrides present a clear structural similarity with that determined in glass SON 68 leached products. The study of old paleosols (between 1,800 and 200,000 years) has demonstrated the long time stability of ferric gels, although an increase of medium range order around Fe is seen. (author)

  7. Local descriptors of protein structure: a systematic analysis of the sequence-structure relationship in proteins using short- and long-range interactions.

    Science.gov (United States)

    Hvidsten, Torgeir R; Kryshtafovych, Andriy; Fidelis, Krzysztof

    2009-06-01

    Local protein structure representations that incorporate long-range contacts between residues are often considered in protein structure comparison but have found relatively little use in structure prediction where assembly from single backbone fragments dominates. Here, we introduce the concept of local descriptors of protein structure to characterize local neighborhoods of amino acids including short- and long-range interactions. We build a library of recurring local descriptors and show that this library is general enough to allow assembly of unseen protein structures. The library could on average re-assemble 83% of 119 unseen structures, and showed little or no performance decrease between homologous targets and targets with folds not represented among domains used to build it. We then systematically evaluate the descriptor library to establish the level of the sequence signal in sets of protein fragments of similar geometrical conformation. In particular, we test whether that signal is strong enough to facilitate correct assignment and alignment of these local geometries to new sequences. We use the signal to assign descriptors to a test set of 479 sequences with less than 40% sequence identity to any domain used to build the library, and show that on average more than 50% of the backbone fragments constituting descriptors can be correctly aligned. We also use the assigned descriptors to infer SCOP folds, and show that correct predictions can be made in many of the 151 cases where PSI-BLAST was unable to detect significant sequence similarity to proteins in the library. Although the combinatorial problem of simultaneously aligning several fragments to sequence is a major bottleneck compared with single fragment methods, the advantage of the current approach is that correct alignments imply correct long range distance constraints. The lack of these constraints is most likely the major reason why structure prediction methods fail to consistently produce adequate

  8. Ser/Thr motifs in transmembrane proteins: conservation patterns and effects on local protein structure and dynamics.

    Science.gov (United States)

    Del Val, Coral; White, Stephen H; Bondar, Ana-Nicoleta

    2012-11-01

    We combined systematic bioinformatics analyses and molecular dynamics simulations to assess the conservation patterns of Ser and Thr motifs in membrane proteins, and the effect of such motifs on the structure and dynamics of α-helical transmembrane (TM) segments. We find that Ser/Thr motifs are often present in β-barrel TM proteins. At least one Ser/Thr motif is present in almost half of the sequences of α-helical proteins analyzed here. The extensive bioinformatics analyses and inspection of protein structures led to the identification of molecular transporters with noticeable numbers of Ser/Thr motifs within the TM region. Given the energetic penalty for burying multiple Ser/Thr groups in the membrane hydrophobic core, the observation of transporters with multiple membrane-embedded Ser/Thr is intriguing and raises the question of how the presence of multiple Ser/Thr affects protein local structure and dynamics. Molecular dynamics simulations of four different Ser-containing model TM peptides indicate that backbone hydrogen bonding of membrane-buried Ser/Thr hydroxyl groups can significantly change the local structure and dynamics of the helix. Ser groups located close to the membrane interface can hydrogen bond to solvent water instead of protein backbone, leading to an enhanced local solvation of the peptide.

  9. Lack of congruence in species diversity indices and community structures of planktonic groups based on local environmental factors.

    Directory of Open Access Journals (Sweden)

    Hideyuki Doi

    Full Text Available The importance of analyzing the determinants of biodiversity and community composition by using multiple trophic levels is well recognized; however, relevant data are lacking. In the present study, we investigated variations in species diversity indices and community structures of the plankton taxonomic groups-zooplankton, rotifers, ciliates, and phytoplankton-under a range of local environmental factors in pond ecosystems. For each planktonic group, we estimated the species diversity index by using linear models and analyzed the community structure by using canonical correspondence analysis. We showed that the species diversity indices and community structures varied among the planktonic groups and according to local environmental factors. The observed lack of congruence among the planktonic groups may have been caused by niche competition between groups with similar trophic guilds or by weak trophic interactions. Our findings highlight the difficulty of predicting total biodiversity within a system, based upon a single taxonomic group. Thus, to conserve the biodiversity of an ecosystem, it is crucial to consider variations in species diversity indices and community structures of different taxonomic groups, under a range of local conditions.

  10. Damage detection of metro tunnel structure through transmissibility function and cross correlation analysis using local excitation and measurement

    Science.gov (United States)

    Feng, Lei; Yi, Xiaohua; Zhu, Dapeng; Xie, Xiongyao; Wang, Yang

    2015-08-01

    In a modern metropolis, metro rail systems have become a dominant mode for mass transportation. The structural health of a metro tunnel is closely related to public safety. Many vibration-based techniques for detecting and locating structural damage have been developed in the past several decades. However, most damage detection techniques and validation tests are focused on bridge and building structures; very few studies have been reported on tunnel structures. Among these techniques, transmissibility function and cross correlation analysis are two well-known diagnostic approaches. The former operates in frequency domain and the latter in time domain. Both approaches can be applied to detect and locate damage through acceleration data obtained from sensor arrays. Furthermore, the two approaches can directly utilize structural response data without requiring excitation measurement, which offers advantages in field testing on a large structure. In this research, a numerical finite element model of a metro tunnel is built and different types of structural defects are introduced at multiple locations of the tunnel. Transmissibility function and cross correlation analysis are applied to perform structural damage detection and localization, based on simulated structural vibration data. Numerical results demonstrate that the introduced defects can be successfully identified and located. The sensitivity and feasibility of the two approaches have been verified when sufficient distribution of measurement locations is available. Damage detection results of the two different approaches are compared and discussed.

  11. 2D localization using resistive strips associated to the Micromegas structure

    CERN Document Server

    Cussonneau, J P; Lautridou, P; Luquin, Lionel; Métivier, V; Rahmani, A; Reposeur, T

    2002-01-01

    An attractive method of two-dimensional localization based on charge division with Ni-Cr resistive strips has been adapted to a Micromegas detector taking advantage of its high gain. Along the strips, depending on the signal to noise ratio, 1.05 mm-300 mu m spatial resolutions (respectively, 0.80-0.23% of the strip length) are obtained with an sup 3 H source. For trajectory reconstruction in magnetic fields, these accuracies could match most of the localization constraints requested for measurements of the non-bending coordinate. In the direction perpendicular to the strips, localizations better than 100 mu m could be achieved using the center of gravity of the charges.

  12. PRKRA Localizes to Nuage Structures and the Ectoplasmic Specialization and Tubulobulbar Complexes in Rat and Mouse Testis

    Directory of Open Access Journals (Sweden)

    Junya Suzuki

    2014-01-01

    Full Text Available The cytoplasmic RNA-induced silencing complex (RISC contains dsRNA binding proteins, including PRKRA, TRBP, and Dicer. RISC localizes to P-bodies. The nuage of the spermatogenic cells has function similar to the P-bodies. We study whether PRKRA localizes to nuage of spermatogenic cells of rat and mouse. PRKRA localized to four types of nuage structures, including aggregates of 60–90 nm particles, irregularly-shaped perinuclear granules, and intermitochondrial cement of pachytene spermatocytes, and chromatoid bodies of round spermatids. In addition, PRKRA is associated with dense material surrounding tubulobulbar complexes and with the ectoplasmic specialization. The results suggest that PRKRA functions in the nuage as an element of RNA silencing system and plays unknown role in the ectoplasmic specialization and at the tubulobulbar complexes of Sertoli cells attaching the head of late spermatids.

  13. The sheaf-theoretic structure of non-locality and contextuality

    Science.gov (United States)

    Abramsky, Samson; Brandenburger, Adam

    2011-11-01

    We use the mathematical language of sheaf theory to give a unified treatment of non-locality and contextuality, in a setting that generalizes the familiar probability tables used in non-locality theory to arbitrary measurement covers; this includes Kochen-Specker configurations and more. We show that contextuality, and non-locality as a special case, correspond exactly to obstructions to the existence of global sections. We describe a linear algebraic approach to computing these obstructions, which allows a systematic treatment of arguments for non-locality and contextuality. We distinguish a proper hierarchy of strengths of no-go theorems, and show that three leading examples—due to Bell, Hardy and Greenberger, Horne and Zeilinger, respectively—occupy successively higher levels of this hierarchy. A general correspondence is shown between the existence of local hidden-variable realizations using negative probabilities, and no-signalling; this is based on a result showing that the linear subspaces generated by the non-contextual and no-signalling models, over an arbitrary measurement cover, coincide. Maximal non-locality is generalized to maximal contextuality, and characterized in purely qualitative terms, as the non-existence of global sections in the support. A general setting is developed for the Kochen-Specker-type results, as generic, model-independent proofs of maximal contextuality, and a new combinatorial condition is given, which generalizes the ‘parity proofs’ commonly found in the literature. We also show how our abstract setting can be represented in quantum mechanics. This leads to a strengthening of the usual no-signalling theorem, which shows that quantum mechanics obeys no-signalling for arbitrary families of commuting observables, not just those represented on different factors of a tensor product.

  14. Localized surface plasmon polariton resonance in holographically structured Al-doped ZnO

    Energy Technology Data Exchange (ETDEWEB)

    George, David; Lowell, David; Mao, Michelle; Hassan, Safaa; Philipose, Usha [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Li, Li; Jiang, Yan; Cui, Jingbiao [Department of Physics and Materials Science, University of Memphis, Memphis, Tennessee 38152 (United States); Ding, Jun; Zhang, Hualiang [Department of Electrical and Computer Engineering, University of Massachusetts Lowell, Lowell, Massachusetts 01854 (United States); Lin, Yuankun [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Department of Electrical Engineering, University of North Texas, Denton, Texas 76203 (United States)

    2016-07-28

    In this paper, we studied the localized surface plasmon polariton (SPP) resonance in hole arrays in transparent conducting aluminum-doped zinc oxide (AZO). CMOS-compatible fabrication process was demonstrated for the AZO devices. The localized SPP resonance was observed and confirmed by electromagnetic simulations. Using a standing wave model, the observed SPP was dominated by the standing-wave resonance along (1,1) direction in square lattices. This research lays the groundwork for a fabrication technique that can contribute to the core technology of future integrated photonics through its extension into tunable conductive materials.

  15. In-situ analysis of strain localization related to structural heterogeneities of carbonate rocks

    Directory of Open Access Journals (Sweden)

    Dimanov A.

    2010-06-01

    Full Text Available The technique of Digital Image Correlation (DIC has been applied to study the deformation of porous carbonate rocks subjected to uniaxial compression tests. The tests have been performed at two different scales: on cylinders of 10 cm high compressed with a standard press with digital images recorded by optical microscopy at a global and local scale and on smaller parallelepiped samples deformed inside a scanning electron microscope (SEM. The development of localization at different scales is thus recorded as well as the damage and compaction mechanisms in relation with the microstructural heterogeneities.

  16. The utility of comparative models and the local model quality for protein crystal structure determination by Molecular Replacement

    Directory of Open Access Journals (Sweden)

    Pawlowski Marcin

    2012-11-01

    Full Text Available Abstract Background Computational models of protein structures were proved to be useful as search models in Molecular Replacement (MR, a common method to solve the phase problem faced by macromolecular crystallography. The success of MR depends on the accuracy of a search model. Unfortunately, this parameter remains unknown until the final structure of the target protein is determined. During the last few years, several Model Quality Assessment Programs (MQAPs that predict the local accuracy of theoretical models have been developed. In this article, we analyze whether the application of MQAPs improves the utility of theoretical models in MR. Results For our dataset of 615 search models, the real local accuracy of a model increases the MR success ratio by 101% compared to corresponding polyalanine templates. On the contrary, when local model quality is not utilized in MR, the computational models solved only 4.5% more MR searches than polyalanine templates. For the same dataset of the 615 models, a workflow combining MR with predicted local accuracy of a model found 45% more correct solution than polyalanine templates. To predict such accuracy MetaMQAPclust, a “clustering MQAP” was used. Conclusions Using comparative models only marginally increases the MR success ratio in comparison to polyalanine structures of templates. However, the situation changes dramatically once comparative models are used together with their predicted local accuracy. A new functionality was added to the GeneSilico Fold Prediction Metaserver in order to build models that are more useful for MR searches. Additionally, we have developed a simple method, AmIgoMR (Am I good for MR?, to predict if an MR search with a template-based model for a given template is likely to find the correct solution.

  17. Studying the local structure of liquid in chloro- and alkyl-substituted benzene derivatives via the molecular scattering of light

    Science.gov (United States)

    Kargin, I. D.; Lanshina, L. V.; Abramovich, A. I.

    2017-09-01

    The coefficients of scattering and the depolarization of scattered light are measured in liquid benzene, chlorobenzene, o-dichlorobenzene, o-chlorotoluene, toluene, and o-xylene in the temperature range of 293‒368 K at a wavelength of 546 nm. Isothermic compressibility, internal pressure, and the functions of radial and orientational correlation are calculated for these liquids in the indicated temperature range, using the classical theory of molecular light scattering. We show that the local structure of these liquids is determined by orthogonal contacts between benzene rings (the T-configuration) and stacked (S-type) configurations. T-configurations predominate in benzene, chlorobenzene, and o-chlorotoluene, while toluene, o-xylene, and o-dichlorobenzene are characterized by S-configurations. It is also shown that the local structures of these liquids are reorganized in a certain temperature range.

  18. Remote sensing of local structure of the quasi-perpendicular Earth's bow shock by using field-aligned beams

    Directory of Open Access Journals (Sweden)

    B. Miao

    2009-03-01

    Full Text Available Field-aligned ion beams (FABs originate at the quasi-perpendicular Earth's bow shock and constitute an important ion population in the foreshock region. The bulk velocity of these FABs depends significantly on the shock normal angle, which is the angle between shock normal and upstream interplanetary magnetic field (IMF. This dependency may therefore be taken as an indicator of the local structure of the shock. Applying the direct reflection model to Cluster measurements, we have developed a method that uses proton FABs in the foreshock region for remote sensing of the local shock structure. The comparison of the model results with the multi-spacecraft observations of FAB events shows very good agreement in terms of wave amplitude and frequency of surface waves at the shock front.

  19. Spatial-temporal structures of human alpha rhythms: theory, microcurrent sources, multiscale measurements, and global binding of local networks.

    Science.gov (United States)

    Nunez, P L; Wingeier, B M; Silberstein, R B

    2001-07-01

    A theoretical framework supporting experimental measures of dynamic properties of human EEG is proposed with emphasis on distinct alpha rhythms. Robust relationships between measured dynamics and cognitive or behavioral conditions are reviewed, and proposed physiological bases for EEG at cellular levels are considered. Classical EEG data are interpreted in the context of a conceptual framework that distinguishes between locally and globally dominated dynamic processes, as estimated with coherence or other measures of phase synchronization. Macroscopic (scalp) potentials generated by cortical current sources are described at three spatial scales, taking advantage of the columnar structure of neocortex. New EEG data demonstrate that both globally coherent and locally dominated behavior can occur within the alpha band, depending on narrow band frequency, spatial measurement scale, and brain state. Quasi-stable alpha phase structures consistent with global standing waves are observed. At the same time, alpha and theta phase locking between cortical regions during mental calculations is demonstrated, consistent with neural network formation. The brain-binding problem is considered in the context of EEG dynamic behavior that generally exhibits both of these local and global aspects. But specific experimental designs and data analysis methods may severely bias physiological interpretations in either local or global directions. Copyright 2001 Wiley-Liss, Inc.

  20. Local atomic structure in equilibrium and supercooled liquid Zr[subscript 75.5]Pd[subscript 24.5

    Energy Technology Data Exchange (ETDEWEB)

    Mauro, N.A.; Fu, W.; Bendert, J.C.; Cheng, Y.Q.; Ma, E.; Kelton, K.F. (WU); (ORNL); (JHU)

    2012-09-06

    Atomic structures were obtained in equilibrium and supercooled eutectic Zr{sub 75.5}Pd{sub 24.5} liquids by in situ high-energy synchrotron diffraction measurements using the beamline electrostatic levitation (BESL) technique, which provides a high-vacuum, containerless, environment. Reverse Monte Carlo fits to the x-ray static structure factors, constrained using partial pair correlation functions obtained from ab initio molecular dynamics simulations, indicate the presence of medium-range order (MRO) in the form of a strong tendency for Pd-Pd (solute-solute) avoidance. This order persists over the entire temperature range studied, from 170 C above the equilibrium liquidus temperature to 263 C below it. Further, a quantitative analysis of the atomic structures obtained indicates a modest degree of icosahedral-like local order around Pd atoms, with the clusters showing an increased tendency for face-sharing to form more extended structures with decreasing temperature.

  1. Identification of locally available structural material as co-substrate for organic waste composting in Tamil Nadu, India.

    Science.gov (United States)

    Springer, C; Heldt, N

    2016-06-01

    Owing to the lack in structural strength while composting certain kinds of organic wastes, 11 co-substrates were tested that are generally locally available in rural areas of northern Tamil Nadu, India. In addition to the classical composting parameters such as carbon/nitrogen ratio, moisture content, dry matter and organic dry matter, a compression test was conducted to evaluate the structural strength and the suitability as bulking agent for composting processes. Additionally, with respect to the climatic conditions in India, the water holding capacity was also evaluated. © The Author(s) 2016.

  2. Theoretical studies of the g factors and local structure for Pt in α-Al2O3

    Indian Academy of Sciences (India)

    Theoretical studies of the g factors and local structure for Pt. 3+ in α-Al2O3. Z H ZHANG1, SYWU1,2,∗. , S X ZHANG1 and L L LI1. 1Department of Applied Physics, University of Electronic Science and Technology of China,. Chengdu 610054, People's Republic of China. 2International Centre for Materials Physics, Chinese ...

  3. Localization of mammalian orthoreovirus proteins to cytoplasmic factory-like structures via nonoverlapping regions of microNS.

    Science.gov (United States)

    Miller, Cathy L; Arnold, Michelle M; Broering, Teresa J; Hastings, Craig E; Nibert, Max L

    2010-01-01

    Virally induced structures called viral factories form throughout the cytoplasm of cells infected with mammalian orthoreoviruses (MRV). When expressed alone in cells, MRV nonstructural protein microNS forms factory-like structures very similar in appearance to viral factories, suggesting that it is involved in forming the structural matrix of these structures. microNS also associates with MRV core particles; the core proteins mu2, lambda1, lambda2, lambda3, and sigma2; and the RNA-binding nonstructural protein sigmaNS. These multiple associations result in the recruitment or retention of these viral proteins or particles at factory-like structures. In this study, we identified the regions of microNS necessary and sufficient for these associations and additionally examined the localization of viral RNA synthesis in infected cells. We found that short regions within the amino-terminal 220 residues of microNS are necessary for associations with core particles and necessary and sufficient for associations with the proteins mu2, lambda1, lambda2, sigma2, and sigmaNS. We also found that only the lambda3 protein associates with the carboxyl-terminal one-third of microNS and that viral RNA is synthesized within viral factories. These results suggest that microNS may act as a cytoplasmic scaffolding protein involved in localizing and coordinating viral replication or assembly intermediates for the efficient production of progeny core particles during MRV infection.

  4. The crystal structure and morphology of NiO-YSZ composite that prepared from local zircon concentrate of Bangka Island

    Energy Technology Data Exchange (ETDEWEB)

    Rahmawati, F., E-mail: fitria@mipa.uns.ac.id; Apriyani, K.; Heraldy, E. [Research Group of Solid State Chemistry & Catalysis, Department of Chemistry, Sebelas Maret University, Jl. Ir. Sutami 36A Kentingan Surakarta (Indonesia); Soepriyanto, S. [Department of Metallurgical Engineering, Faculty of Mining and Petroleum Engineering, Institut Teknologi Bandung, Jl. Ganesha 10 Bandung 40132 (Indonesia)

    2016-03-29

    In order to increase the economic value of local zircon concentrate from Bangka Island, NiO-YSZ was synthesized from Zirconia, ZrO{sub 2} that was prepared from local zircon concentrate. The NiO-YSZ composite was synthesized by solid state reaction method. XRD analysis equipped with Le Bail refinement was carried out to analyze the crystal structure and cell parameters of the prepared materials. The result showed that zirconia was crystallized in tetragonal structure with a space group of P42/NMC. Yttria-Stabilized-Zirconia (YSZ) was prepared by doping 8% mol yttrium oxide into zirconia and then sintered at 1250°C for 3 hours. Doping of 8% mol Yttria allowed phase transformation of zirconia from tetragonal into the cubic structure. Meanwhile, the composite of NiO-YSZ consists of two crystalline phases, i.e. the NiO with cubic structure and the YSZ with cubic structure. SEM analysis of the prepared materials shows that the addition of NiO into YSZ allows the morphology to become more roughness with larger grain size.

  5. Local variability in population structure and density of the protogynous reef herbivore Sparisoma viride

    NARCIS (Netherlands)

    van Rooij, J.M.; Kok, J.P; Videler, J.J

    We compare the (relative) abundance of life phases [juveniles (JU), initial phase (IF) and terminal phase (TP) fish], social categories (territorial and group adults), and fish following alternative mating styles, in three local populations of the protogynous reef herbivore, Sparisoma viride, on the

  6. Nuclear Enhanced X-ray Maximum Entropy Method Used to Analyze Local Distortions in Simple Structures

    DEFF Research Database (Denmark)

    Christensen, Sebastian; Bindzus, Niels; Christensen, Mogens

    was conceived to analyse local distortions in the thermoelectric lead chalcogenides, PbX (X = S, Se, Te). Their extraordinary thermoelectric performance has caused huge research activity, but the mechanisms governing their unexpected low thermal conductivity still remain a controversial topic. It has been...

  7. Localization of fluorescently labeled structures in frozen-hydrated samples using integrated light electron microscopy

    NARCIS (Netherlands)

    Faas, F.G.A.; Bárcena, M.A.; Agronskaia, A.V.; Gerritsen, H.C.; Moscicka, K.B.; Diebolder, C.A.; Driel, L.F.; Limpens, R.W.A.L.; Bos, E.; Ravelli, R.B.G.; Koning, R.I.; Koster, A.J.

    2013-01-01

    Correlative light and electron microscopy is an increasingly popular technique to study complex biological systems at various levels of resolution. Fluorescence microscopy can be employed to scan large areas to localize regions of interest which are then analyzed by electron microscopy to obtain

  8. Local buckling of aluminium structures exposed to fire. Part 1: Tests

    NARCIS (Netherlands)

    Maljaars, J.; Soetens, F.

    2009-01-01

    This paper describes an experimental investigation into local buckling of compressed aluminium alloy sections at elevated temperatures. Stress-strain relationships are derived based on uniaxial tensile tests. A special test set-up with a furnace is developed to test slender square hollow sections

  9. Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

    Science.gov (United States)

    Bajaj, Akash; Janet, Jon Paul; Kulik, Heather J.

    2017-11-01

    The flat-plane condition is the union of two exact constraints in electronic structure theory: (i) energetic piecewise linearity with fractional electron removal or addition and (ii) invariant energetics with change in electron spin in a half filled orbital. Semi-local density functional theory (DFT) fails to recover the flat plane, exhibiting convex fractional charge errors (FCE) and concave fractional spin errors (FSE) that are related to delocalization and static correlation errors. We previously showed that DFT+U eliminates FCE but now demonstrate that, like other widely employed corrections (i.e., Hartree-Fock exchange), it worsens FSE. To find an alternative strategy, we examine the shape of semi-local DFT deviations from the exact flat plane and we find this shape to be remarkably consistent across ions and molecules. We introduce the judiciously modified DFT (jmDFT) approach, wherein corrections are constructed from few-parameter, low-order functional forms that fit the shape of semi-local DFT errors. We select one such physically intuitive form and incorporate it self-consistently to correct semi-local DFT. We demonstrate on model systems that jmDFT represents the first easy-to-implement, no-overhead approach to recovering the flat plane from semi-local DFT.

  10. Local Structure Evolution and Modes of Charge Storage in Secondary Li–FeS 2 Cells

    Energy Technology Data Exchange (ETDEWEB)

    Butala, Megan M.; Mayo, Martin; Doan-Nguyen, Vicky V. T.; Lumley, Margaret A.; Göbel, Claudia; Wiaderek, Kamila M.; Borkiewicz, Olaf J.; Chapman, Karena W.; Chupas, Peter J.; Balasubramanian, Mahalingam; Laurita, Geneva; Britto, Sylvia; Morris, Andrew J.; Grey, Clare P.; Seshadri, Ram

    2017-03-27

    In the pursuit of high-capacity electrochemical energy storage, a promising domain of research involves conversion reaction schemes, wherein electrode materials are fully transformed during charge and discharge. There are, however, numerous difficulties in realizing theoretical capacity and high rate capability in many conversion schemes. Here we employ operando studies to understand the conversion material FeS2, focusing on the local structure evolution of this relatively reversible material. X-ray absorption spectroscopy, pair distribution function analysis, and first-principles calculations of intermediate structures shed light on the mechanism of charge storage in the Li-FeS2 system, with some general principles emerging for charge storage in chalcogenide materials. Focusing on second and later charge/discharge cycles, we find small, disordered domains that locally resemble Fe and Li2S at the end of the first discharge. Upon charge, this is converted to a Li-Fe-S composition whose local structure reveals tetrahedrally coordinated Fe. With continued charge, this ternary composition displays insertion extraction behavior at higher potentials and lower Li content. The finding of hybrid modes of charge storage, rather than simple conversion, points to the important role of intermediates that appear to store charge by mechanisms that more closely resemble intercalation.

  11. Revisiting the Local Structure in Ge-Sb-Te based Chalcogenide Superlattices

    NARCIS (Netherlands)

    Casarin, Barbara; Caretta, Antonio; Momand, Jamo; Kooi, Bart J.; Verheijen, Marcel A.; Bragaglia, Valeria; Calarco, Raffaella; Chukalina, Marina; Yu, Xiaoming; Robertson, John; Lange, Felix R. L.; Wuttig, Matthias; Redaelli, Andrea; Varesi, Enrico; Parmigiani, Fulvio; Malvestuto, Marco

    2016-01-01

    The technological success of phase-change materials in the field of data storage and functional systems stems from their distinctive electronic and structural peculiarities on the nanoscale. Recently, superlattice structures have been demonstrated to dramatically improve the optical and electrical

  12. RNAsnp: efficient detection of local RNA secondary structure changes induced by SNPs

    DEFF Research Database (Denmark)

    Radhakrishnan, Sabarinathan; Tafer, Hakim; Seemann, Ernst Stefan

    2013-01-01

    Structural characteristics are essential for the functioning of many noncoding RNAs and cis-regulatory elements of mRNAs. SNPs may disrupt these structures, interfere with their molecular function, and hence cause a phenotypic effect. RNA folding algorithms can provide detailed insights into stru...

  13. The structure and organization of local and state public health agencies in the U.S.: a systematic review.

    Science.gov (United States)

    Hyde, Justeen K; Shortell, Stephen M

    2012-05-01

    This systematic review provides a synthesis of the growing field of public health systems research related to the structure and organization of state and local governmental public health agencies. It includes an overview of research examining the influence of organizational characteristics on public health performance and health status and a summary of the strengths and gaps of the literature to date. Data were retrieved through an iterative process, beginning with key word searches in three publication databases (PubMed, JSTOR, Web of Science). Gray literature was searched through the use of Google Scholar™. Targeted searches on websites and key authors were also performed. Documents underwent an initial and secondary screening; they were retained if they contained information about local or state public health structure, organization, governance, and financing. 77 articles met the study criteria. Public health services are delivered by a mix of local, state, and tribal governmental and nongovernmental agencies and delivered through centralized (28%); decentralized (37%); or combined authority (35%). The majority of studies focused on organizational characteristics that are associated with public health performance based on the 10 Essential Public Health Services framework. Population size of jurisdiction served (>50,000); structure of authority (decentralized and mixed); per capita spending at the local level; some partnerships (academic, health services); and leadership of agency directors have been found to be related to public health performance. Fewer studies examined the relationship between organizational characteristics and health outcomes. Improvements in health outcomes are associated with an increase in local health department expenditures, FTEs per capita, and location of health department within local networks. Public health systems in the U.S. face a number of critical challenges, including limited organizational capacity and financial resources

  14. Local structure and structural rigidity of the green phosphor β-SiAlON:Eu{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Brgoch, J., E-mail: jbrgoch@uh.edu; Gaultois, M. W., E-mail: mgaultois@mrl.ucsb.edu; Seshadri, R. [Mitsubishi Chemical Center for Advanced Materials, University of California, Santa Barbara, California 93106 (United States); Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States); Balasubramanian, M. [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Page, K. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Hong, B.-C. [Mitsubishi Chemical Group Science and Technology Research Center, Inc., 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502 (Japan)

    2014-11-03

    Eu{sup 2+} inserted in β-Si{sub 3−x}Al{sub x}O{sub x}N{sub 4−x} is a material that shows exceptional promise as a green-emitting phosphor. Synchrotron X-ray and neutron scattering, in conjunction with first-principles calculations and Eu L{sub 3} X-ray absorption measurements, yield a consistent picture of the composition, and the favorable position for Eu{sup 2+} substitution in the crystal structure. The Debye temperature Θ{sub D}, which is a proxy for structural rigidity relating to effectiveness as a phosphor, is very high for the starting β-Si{sub 3}N{sub 4} framework and is determined to decrease only slightly for the small amounts of Al{sup 3+} and O{sup 2−} co-substitution that are required for charge balance associated with Eu{sup 2+} insertion.

  15. A combined fit of total scattering and extended x-ray absorption fine structure data for local-structure determination in crystalline materials

    Energy Technology Data Exchange (ETDEWEB)

    Proffen, Thomas E [Los Alamos National Laboratory; Krayzman, Victor [NIST; Levin, Igor [NIST; Tucker, Matt [ISIS, UK

    2009-01-01

    Reverse Monte Carlo (RMC) refinements of local structure using a simultaneous fit of X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) data were developed to incorporate an explicit treatment of both single- and multiple-scattering contributions to EXAFS. The refinement algorithm, implemented as an extension to the public domain computer software RMCProfile, enables accurate modeling of EXAFS over distances encompassing several coordination shells around the absorbing species. The approach was first tested on Ni, which exhibits extensive multiple scattering in EXAFS, and then applied to perovskite-like SrAl{sub 1/2}Nb{sub 1/2}O{sub 3}. This compound crystal1izes with a cubic double-perovskite structure but presents a challenge for local-structure determination using a total pair-distribution function (PDF) alone because of overlapping peaks of the constituent partial PDFs (e.g. Al-O and Nb-O or Sr-O and O-O). The results obtained here suggest that the combined use of the total scattering and EXAFS data provides sufficient constraints for RMC refinements to recover fine details of local structure in complex perovskites. Among other results, it was found that the probability density distribution for Sr in SrAl{sub 1/2}Nb{sub 1/2}O{sub 3} adopts T{sub d} point-group symmetry for the Sr sites, determined by the ordered arrangement of Al and Nb, as opposed to a spherical distribution commonly assumed in traditional Rietveld refinements.

  16. Global contraction or local growth, bleb shape depends on more than just cell structure.

    Science.gov (United States)

    Woolley, Thomas E; Gaffney, Eamonn A; Oliver, James M; Waters, Sarah L; Baker, Ruth E; Goriely, Alain

    2015-09-07

    When the plasma membrane of a cell locally delaminates from its actin cortex the membrane is pushed outwards due to the cell׳s internal fluid pressure. The resulting spherical protrusion is known as a bleb. A cell׳s ability to function correctly is highly dependent on the production of such protrusions with the correct size and shape. Here, we investigate the nucleation of large blebs from small, local neck regions. A mathematical model of a cell׳s membrane, cortex and interconnecting adhesions demonstrates that these three components are unable to capture experimentally observed bleb shapes without the addition of further assumptions. We have identified that combinations of global cortex contraction and localised membrane growth are the most promising methods for generating prototypical blebs. Currently, neither proposed mechanism has been fully tested experimentally and, thus, we propose experiments that will distinguish between the two methods of bleb production. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. PHBV/PAM Scaffolds with Local Oriented Structure through UV Polymerization for Tissue Engineering

    Directory of Open Access Journals (Sweden)

    Yu Ke

    2014-01-01

    Full Text Available Locally oriented tissue engineering scaffolds can provoke cellular orientation and direct cell spread and migration, offering an exciting potential way for the regeneration of the complex tissue. Poly(3-hydroxybutyrate-co-3-hydroxyvalerate (PHBV scaffolds with locally oriented hydrophilic polyacrylamide (PAM inside the macropores of the scaffolds were achieved through UV graft polymerization. The interpenetrating PAM chains enabled good interconnectivity of PHBV/PAM scaffolds that presented a lower porosity and minor diameter of pores than PHBV scaffolds. The pores with diameter below 100 μm increased to 82.15% of PHBV/PAM scaffolds compared with 31.5% of PHBV scaffolds. PHBV/PAM scaffold showed a much higher compressive elastic modulus than PHBV scaffold due to PAM stuffing. At 5 days of culturing, sheep chondrocytes spread along the similar direction in the macropores of PHBV/PAM scaffolds. The locally oriented PAM chains might guide the attachment and spreading of chondrocytes and direct the formation of microfilaments via contact guidance.

  18. Designing Microstructures/Structures for Desired Functional Material and Local Fields

    Science.gov (United States)

    2015-12-02

    feasibility of large-scale power plants based on thermoelectric effects. we achieve designs of structures that can amplify static electric/magnetic fields or...limitation to the abstract. Enter UU (Unclassified Unlimited) or SAR (Same as Report). An entry in this block is necessary if the abstract is to be limited...heterogeneous structures, we have shown designs of thermoelectric composites and the feasibility of large-scale power plants based on thermoelectric effects

  19. An Investigation of Structural Locality in the Memory Referencing Behavior of Computer Programs

    Science.gov (United States)

    1992-12-01

    0 0 1.000 0.000 5 1 0.000 0 1 0.500 0.500 6 1 0.000 0 1 0.000 1.000 Table A.3. Structural Entropy NGram Distributions NGraiu 3rd Order 2nd Order Ist...Calculation Table A.3 shows the Igrams, 2grams, and 3grams that, were tabulated from the structural entropy sample string in Table A.1. The NGrams are labeled

  20. Local structural aspects of metal-metal transition in IrTe2 from x-ray PDF

    Science.gov (United States)

    Yu, Runze; Abeykoon, Milinda; Zhou, Haidong; Yin, Weiguo; Bozin, Emil S.

    Evolution of local atomic structure across the metal-metal transition in IrTe2 is explored by pair distribution function (PDF) analysis of x-ray total scattering data over 80 K Local and average structures are found to be in accord at all temperatures conforming to P-1 and P-3m1 symmetry at low and high temperature, respectively. We find no evidence of short-range Ir-dimers surviving into the high-T regime, in stark contrast to the earlier EXAFS study proposing Ir-dimer order-disorder mechanism. Phase fraction obtained from explicit 2-phase structural modeling displays hysteretic behavior across the transition, in agreement with electronic transport measurements, indicative of a strong tie between the lattice and electronic configurations. Bond valence methodology applied to structural parameters further indicates significant bond charge disproportionation in association with the transition. Work at Brookhaven National Laboratory was supported by US DOE, Office of Science, Office of Basic Energy Sciences (DOE-BES) under Contract No. DE-SC0012704.

  1. Modeling the Local Structure of Amorphous Materials: A Density Functional Theory Investigation

    Science.gov (United States)

    Gong, Kai; Ozcelik, Ongun; White, Claire

    Here, we present an iterative methodology alternating between density functional theory (DFT) calculations and pair distribution function (PDF) analysis to uncover the detailed atomic structure of highly amorphous materials. In this methodology, the DFT calculations are used to maintain chemical feasibility of the atomic structure, while the experimentally-driven refinements allow for exploration of the potential energy landscape. Through this iterative process, a final structure is obtained that is not only thermodynamically favorable but also in agreement with experiment data. Previously, we have demonstrated the applicability of similar DFT-PDF iterative methods in metakaolin and amorphous magnesium carbonate. Here, we have modified the methodology and applied it to resolve the atomic structure of ground granulated blast-furnace slag, a highly disordered calcium-magnesium aluminosilicate glassy material. Prior to applying the iterative process, a high temperature molecular dynamics (MD) simulation was used to generate a reasonable starting structure, which was found to be crucial. The iterative methodology outlined here is expected to be readily transferable to other disordered material systems where detailed atomic structures are currently not available. This material is based on work supported by the National Science Foundation under Grant No. 1362039.

  2. How the Method of Synthesis Governs the Local and Global Structure of Zinc Aluminum Layered Double Hydroxides

    DEFF Research Database (Denmark)

    Puschparaj, Suraj S. C.; Forano, Claude; Prevot, Vanessa

    2015-01-01

    (atomic) and long (global) range structure of the LDH product. Sample composition, purity, crystal defects and other structural aspects of the LDH products were obtained from powder X-ray diffraction (PXRD), transmission electron microscopy (TEM), Micro-Raman, elemental analysis, and solid state 1H, 27Al...... to assess the composition of LDHs, as the conventional PXRD and TEM analysis of LDHs failed to identify the many structural defects and/or amorphous phases present......., and 67Zn NMR spectroscopy. The urea method results in LDHs, which on the global scale are highly crystalline LDHs, but disordered on the local scale. The disorder is correlated with the presence of Al-rich phases, which are undetected by bulk techniques (TEM, PXRD), as they are either defects within...

  3. Local structure analysis of diluted magnetic semiconductor Co and Al co-doped ZnO nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Hyodo, K.; Morimoto, S.; Yamazaki, T.; Ishikawa, T.; Ichiyanagi, Y. [Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama, Kanagawa 240-8501 (Japan); Utsumi, J. [Engineering Department Machine Tool Division, Machinery, Equipment & Infrastructure, Mitsubishi Heavy Industries, Ltd., Ritto, Shiga 520-3080 (Japan)

    2016-02-01

    In this study, Co and Al ions co-doped ZnO nanoparticles (Zn(Al, Co)O NPs) were prepared by our original chemical preparation method. The obtained samples prepared by this method, were encapsulated in amorphous SiO{sub 2}. X-ray diffraction (XRD) results showed Zn(Al, Co)O NPs had a single-phase nature with hexagonal wurtzite structure. These particle sizes could be controlled to be approximately 30 nm. We investigate the effect that the increase in the carrier has on the magnetization by doping Al to Co-doped ZnO NPs. The local structures were qualitatively analyzed using X-ray absorption fine structure (XAFS) measurements.

  4. Constraints on the crustal structure beneath the Sinai subplate, SE Mediterranean, from analysis of local and regional travel times

    Directory of Open Access Journals (Sweden)

    Mohamed K. Salah

    2013-03-01

    Full Text Available The Sinai Peninsula has been recognized as a subplate of the African Plate located at the triple junction of the Gulf of Suez rift, the Dead Sea Transform fault, and the Red Sea rift. The upper and lower crustal structures of this tectonically active, rapidly developing region are yet poorly understood because of many limitations. For this reason, a set of P- and S-wave travel times recorded at 14 seismic stations belonging to the Egyptian National Seismographic Network (ENSN from 111 local and regional events are analyzed to investigate the crustal structures and the locations of the seismogenic zones beneath central and southern Sinai. Because the velocity model used for routine earthquake location by ENSN is one-dimensional, the travel-time residuals will show lateral heterogeneity of the velocity structures and unmodeled vertical structures. Seismic activity is strong along the eastern and southern borders of the study area but low to moderate along the northern boundary and the Gulf of Suez to the west. The crustal Vp/Vs ratio is 1.74 from shallow (depth ≤ 10 km earthquakes and 1.76 from deeper (depth > 10 km crustal events. The majority of the regional and local travel-time residuals are positive relative to the Preliminary Reference Earth Model (PREM, implying that the seismic stations are located above widely distributed, tectonically-induced low-velocity zones. These low-velocity zones are mostly related to the local crustal faults affecting the sedimentary section and the basement complex as well as the rifting processes prevailing in the northern Red Sea region and the ascending of hot mantle materials along crustal fractures. The delineation of these low-velocity zones and the locations of big crustal earthquakes enable the identification of areas prone to intense seismotectonic activities, which should be excluded from major future development projects and large constructions in central and southern Sinai.

  5. Distinct Correlation Structure Supporting a Rate-Code for Sound Localization in the Owl’s Auditory Forebrain

    Science.gov (United States)

    2017-01-01

    Abstract While a topographic map of auditory space exists in the vertebrate midbrain, it is absent in the forebrain. Yet, both brain regions are implicated in sound localization. The heterogeneous spatial tuning of adjacent sites in the forebrain compared to the midbrain reflects different underlying circuitries, which is expected to affect the correlation structure, i.e., signal (similarity of tuning) and noise (trial-by-trial variability) correlations. Recent studies have drawn attention to the impact of response correlations on the information readout from a neural population. We thus analyzed the correlation structure in midbrain and forebrain regions of the barn owl’s auditory system. Tetrodes were used to record in the midbrain and two forebrain regions, Field L and the downstream auditory arcopallium (AAr), in anesthetized owls. Nearby neurons in the midbrain showed high signal and noise correlations (RNCs), consistent with shared inputs. As previously reported, Field L was arranged in random clusters of similarly tuned neurons. Interestingly, AAr neurons displayed homogeneous monotonic azimuth tuning, while response variability of nearby neurons was significantly less correlated than the midbrain. Using a decoding approach, we demonstrate that low RNC in AAr restricts the potentially detrimental effect it can have on information, assuming a rate code proposed for mammalian sound localization. This study harnesses the power of correlation structure analysis to investigate the coding of auditory space. Our findings demonstrate distinct correlation structures in the auditory midbrain and forebrain, which would be beneficial for a rate-code framework for sound localization in the nontopographic forebrain representation of auditory space. PMID:28674698

  6. Very high resolution Earth Observation features for testing the direct and indirect effects of landscape structure on local habitat quality

    Science.gov (United States)

    Mairota, Paola; Cafarelli, Barbara; Labadessa, Rocco; Lovergine, Francesco P.; Tarantino, Cristina; Nagendra, Harini; Didham, Raphael K.

    2015-02-01

    Modelling the empirical relationships between habitat quality and species distribution patterns is the first step to understanding human impacts on biodiversity. It is important to build on this understanding to develop a broader conceptual appreciation of the influence of surrounding landscape structure on local habitat quality, across multiple spatial scales. Traditional models which report that 'habitat amount' in the landscape is sufficient to explain patterns of biodiversity, irrespective of habitat configuration or spatial variation in habitat quality at edges, implicitly treat each unit of habitat as interchangeable and ignore the high degree of interdependence between spatial components of land-use change. Here, we test the contrasting hypothesis, that local habitat units are not interchangeable in their habitat attributes, but are instead dependent on variation in surrounding habitat structure at both patch- and landscape levels. As the statistical approaches needed to implement such hierarchical causal models are observation-intensive, we utilise very high resolution (VHR) Earth Observation (EO) images to rapidly generate fine-grained measures of habitat patch internal heterogeneities over large spatial extents. We use linear mixed-effects models to test whether these remotely-sensed proxies for habitat quality were influenced by surrounding patch or landscape structure. The results demonstrate the significant influence of surrounding patch and landscape context on local habitat quality. They further indicate that such an influence can be direct, when a landscape variable alone influences the habitat structure variable, and/or indirect when the landscape and patch attributes have a conjoined effect on the response variable. We conclude that a substantial degree of interaction among spatial configuration effects is likely to be the norm in determining the ecological consequences of habitat fragmentation, thus corroborating the notion of the spatial context

  7. Numerical analysis of the performance of rock weirs: Effects of structure configuration on local hydraulics

    Science.gov (United States)

    Holmquist-Johnson, C. L.

    2009-01-01

    River spanning rock structures are being constructed for water delivery as well as to enable fish passage at barriers and provide or improve the aquatic habitat for endangered fish species. Current design methods are based upon anecdotal information applicable to a narrow range of channel conditions. The complex flow patterns and performance of rock weirs is not well understood. Without accurate understanding of their hydraulics, designers cannot address the failure mechanisms of these structures. Flow characteristics such as jets, near bed velocities, recirculation, eddies, and plunging flow govern scour pool development. These detailed flow patterns can be replicated using a 3D numerical model. Numerical studies inexpensively simulate a large number of cases resulting in an increased range of applicability in order to develop design tools and predictive capability for analysis and design. The analysis and results of the numerical modeling, laboratory modeling, and field data provide a process-based method for understanding how structure geometry affects flow characteristics, scour development, fish passage, water delivery, and overall structure stability. Results of the numerical modeling allow designers to utilize results of the analysis to determine the appropriate geometry for generating desirable flow parameters. The end product of this research will develop tools and guidelines for more robust structure design or retrofits based upon predictable engineering and hydraulic performance criteria. ?? 2009 ASCE.

  8. Function prediction from networks of local evolutionary similarity in protein structure.

    Science.gov (United States)

    Erdin, Serkan; Venner, Eric; Lisewski, Andreas Martin; Lichtarge, Olivier

    2013-01-01

    Annotating protein function with both high accuracy and sensitivity remains a major challenge in structural genomics. One proven computational strategy has been to group a few key functional amino acids into templates and search for these templates in other protein structures, so as to transfer function when a match is found. To this end, we previously developed Evolutionary Trace Annotation (ETA) and showed that diffusing known annotations over a network of template matches on a structural genomic scale improved predictions of function. In order to further increase sensitivity, we now let each protein contribute multiple templates rather than just one, and also let the template size vary. Retrospective benchmarks in 605 Structural Genomics enzymes showed that multiple templates increased sensitivity by up to 14% when combined with single template predictions even as they maintained the accuracy over 91%. Diffusing function globally on networks of single and multiple template matches marginally increased the area under the ROC curve over 0.97, but in a subset of proteins that could not be annotated by ETA, the network approach recovered annotations for the most confident 20-23 of 91 cases with 100% accuracy. We improve the accuracy and sensitivity of predictions by using multiple templates per protein structure when constructing networks of ETA matches and diffusing annotations.

  9. Local structure of xenon adsorbed in the nanospaces of zeolites as studied by high-pressure 129Xe NMR.

    Science.gov (United States)

    Omi, Hironori; Ueda, Takahiro; Kato, Noriko; Miyakubo, Keisuke; Eguchi, Taro

    2006-09-07

    Pressure (0-10 MPa) and local density dependence of 129Xe NMR chemical shift of xenon in various microporous materials was investigated using an in situ high-pressure probe. The density dependence of the chemical shift was analyzed using virial expansion of the chemical shift by xenon density. Results indicate that the second virial coefficient depends on the pore size and shape, and that the void space affects xenon-xenon interaction in both microporous and mesoporous materials. Furthermore, to interpret the magnitude of the virial coefficient in terms of the local structure of the adsorbed xenon, we analyzed the local structure of adsorbed xenon in molecular sieve 5A using Xe(n) clusters, thereby allowing description of the density dependence of the chemical shift. We also demonstrated the cluster model's validity by applying it to molecular sieves 13X and ZSM-5. The latter showed that the adsorbed xenon exists as a xenon monomer up to the filling of about 0.6 in micropores. Larger xenon clusters up to n = 4 have been grown with increasing filling of xenon. According to analyses using the Xe(n) cluster model, the second virial coefficient is related closely with the xenon cluster size, which contributes greatly to the chemical shift in the low loading region.

  10. Predicting the oil and gas concentrations in the structural zones and local upheavals in western Tatar

    Energy Technology Data Exchange (ETDEWEB)

    Shaykhutdinov, R.S.; Abdullin, N.G.; Syyetenkov, V.S.

    1983-01-01

    A comparative probabilistic method is examined for producing a quantitative estimation of the prospects for oil concentrations; this method is characterized by comprehensiveness and is designed to predict the quantity of localized oil accumulations concentrated in traps of various types. This method was first used in computing predicted oil reserves in the Devonian and carboniferous deposits in the Tatar ASSR, which made it possible, with a high degree of accuracy, to estimate the reserves. The method may be used as a supplementary method for a quantitative estimation of oil and gas prospects in other regions of the Urals and Volga oil and gas bearing province.

  11. Enhancement of Optical Nonlinearities in Composite Media and Structures via Local Fields and Electromagnetic Coupling Effects

    Science.gov (United States)

    Smith, David D.

    2002-01-01

    This talk will review the linear and nonlinear optical properties of metal nanoparticles and dielectric microparticles, with an emphasis on local field effects, and whispering gallery modes (WGMs), as well as the conjunction of these two effects for enhanced Raman. In particular, enhanced optical properties that result from electromagnetic coupling effects will be discussed in the context of Mie scattering from concentric spheres and bispheres. Predictions of mode splitting and photonic bandgaps in micro-spheres will be presented and will be shown to be analogous to effects that occur in coupled resonator optical waveguides (CROW). Slow and fast light in SCISSOR / CROW configurations will also be discussed.

  12. Natural habitats uncovered? – Genetic structure of known and newly found localities of the endangered bitterling Pseudorhodeus tanago (Cyprinidae

    Directory of Open Access Journals (Sweden)

    Kenji Saitoh

    2017-03-01

    Full Text Available Overuse of natural resources by humans is a major threat to biodiversity. Overuse often involves species of economic or esthetic value, and fish are a typical example for a group that is exploited both for economic reasons (for human consumption and for esthetic reasons (e.g. by aquarists. Pseudorhodeus tanago (Tanaka, 1909 (formerly known as Tanakia tanago is a small colorful but legally protected (fishing, keeping and transfer are banned bitterling fish distributed around Tokyo, Japan. Whereas it is critically endangered and more and more habitat loss has occurred, at least four stocks have been newly found during the last decade. To explore whether emergence of these newly found habitats is a consequence of incomplete survey, we genotyped mitochondrial cytochrome b sequence of P. tanago from 17 localities and an illegal home aquarium. Populations known by the past extensive survey (13 localities showed geographically structured population genetic characteristics. Population-specific haplotypes were common indicating past divergence and bottleneck events. Four (north, {center + west}, south_1, south_2 or five (north, center, west, south_1, south_2 geographic groups were detectable as for these known localities. On the other hand, newly found stocks were polymorphic and showed identical haplotypes from distant known localities. If we assume historical basis of distribution and genetic characteristics of these newly found stocks, it must be a series of unlikely geological events and haplotype sorting. We discuss potential issues posed by these questionable stocks.

  13. Structural analysis and tissue localization of human C4.4A

    DEFF Research Database (Denmark)

    Hansen, Line V.; Gårdsvoll, Henrik; Nielsen, Boye S

    2004-01-01

    C4.4A, a structural homologue of the urokinase-type plasminogen activator receptor (uPAR), was originally identified as a metastasis-associated membrane protein, but little is known about its structural and functional properties. Therefore, we expressed, purified and characterized a soluble...... significant amounts of GPI-anchored C4.4A, we find no evidence for an interaction between C4.4A and uPA, a property suggested previously for rat C4.4A. Collectively these data indicate that C4.4A, although being a structural homologue of uPAR, is unlikely to have a functional overlap with uPAR....

  14. The Use of International Roughness Index and Structural Number for Rehabilitation and Maintenance Policy of Local Highway

    Science.gov (United States)

    Hermawan; Suprapto, M.; Setyawan, A.

    2017-02-01

    Rehabilitation and maintenance of road performed by technical agencies at the local government in Indonesia, are generally not based on the assessment of road conditions. The value of the structural and functional condition of the pavement is not counted on carefully. As a result, road rehabilitation and maintenance patterns tend to be similar, repetitive and improper. International Roughness Index (IRI) is a parameter for assessing the functional condition of the pavement while the Structural Number (SN) is a parameter for assessing the structural condition of the pavement. Measuring road conditions by using Roadroid applications on smartphones can provide an efficient way, scalable, and low cost to the highway authority to collect road condition data. This study was conducted to determine the conditions of the road both functionally and structurally. Results of research conducted, pavement functionally in a good condition with the acquisition of IRI value of less than 4. Structural pavement conditions indicate that the value of Structural Number Effective (SNeff) is less than the value of the Structural Number Future (SNf), thus the structural condition of the road segments has not been able to serve traffic with a design life of 20 years. Prediction of IRI value obtained to determine the type of road maintenance is functionally performed when the value of IRI exceeds the value of 4 with an overlay of material HRS WC 30 mm. Structurally road maintenance carried out various scenarios, the phased construction and direct construction. The type of material and thickness of pavement on a phased construction scenario for the design life of 15-20 years and direct construction gives better results than the phased construction scenarios for the design life of 5-20 years and 10-20 years.

  15. Prediction of Global and Localized Damage and Future Reliability for RC Structures subject to Earthquakes

    DEFF Research Database (Denmark)

    Köyluoglu, H.U.; Nielsen, Søren R.K.; Cakmak, A.S.

    1994-01-01

    the arrival of the first earthquake from non-destructive vibration tests or via structural analysis. The previous excitation and displacement response time series is employed for the identification of the instantaneous softening using an ARMA model. The hysteresis parameters are updated after each earthquake....... The proposed model is next generalized for the MDOF system. Using the adapted models for the structure and the global damage state, the global damage in a future earthquake can then be estimated when a suitable earthquake model is applied. The performance of the model is illustrated on RC frames which were...

  16. Prediction of Global and Localized Damage and Future Reliability for RC Structures subject to Earthquakes

    DEFF Research Database (Denmark)

    Köyluoglu, H.U.; Nielsen, Søren R.K.; Cakmak, A.S.

    1997-01-01

    the arrival of the first earthquake from non-destructive vibration tests or via structural analysis. The previous excitation and displacement response time series is employed for the identification of the instantaneous softening using an ARMA model. The hysteresis parameters are updated after each earthquake....... The proposed model is next generalized for the MDOF system. Using the adapted models for the structure and the global damage state, the global damage in a future earthquake can then be estimated when a suitable earthquake model is applied. The performance of the model is illustrated on RC frames which were...

  17. Learning the local Bayesian network structure around the ZNF217 oncogene in breast tumours.

    Science.gov (United States)

    Prestat, Emmanuel; de Morais, Sérgio Rodrigues; Vendrell, Julie A; Thollet, Aurélie; Gautier, Christian; Cohen, Pascale A; Aussem, Alex

    2013-05-01

    In this study, we discuss and apply a novel and efficient algorithm for learning a local Bayesian network model in the vicinity of the ZNF217 oncogene from breast cancer microarray data without having to decide in advance which genes have to be included in the learning process. ZNF217 is a candidate oncogene located at 20q13, a chromosomal region frequently amplified in breast and ovarian cancer, and correlated with shorter patient survival in these cancers. To properly address the difficulties in managing complex gene interactions given our limited sample, statistical significance of edge strengths was evaluated using bootstrapping and the less reliable edges were pruned to increase the network robustness. We found that 13 out of the 35 genes associated with deregulated ZNF217 expression in breast tumours have been previously associated with survival and/or prognosis in cancers. Identifying genes involved in lipid metabolism opens new fields of investigation to decipher the molecular mechanisms driven by the ZNF217 oncogene. Moreover, nine of the 13 genes have already been identified as putative ZNF217 targets by independent biological studies. We therefore suggest that the algorithms for inferring local BNs are valuable data mining tools for unraveling complex mechanisms of biological pathways from expression data. The source code is available at http://www710.univ-lyon1.fr/∼aaussem/Software.html. Copyright © 2012 Elsevier Ltd. All rights reserved.

  18. Damage Localization of Severely Damaged RC-Structures Based on Measured Eigenperiods from a Single Response

    DEFF Research Database (Denmark)

    Skjærbæk, P. S.; Nielsen, Søren R.K.; Cakmak, A. S.

    This paper deals with the estimation of the damage location of severely damaged Reinforced Concrete (RC) structures excited by earthquakes. It is assumed that the building is instrumented with a sensor measuring the earthquake acceleration signal at ground surface and a sensor measuring only...

  19. Science Inquiry into Local Animals: Structure and Function Explored through Model Making

    Science.gov (United States)

    Rule, Audrey C.; Tallakson, Denise A.; Glascock, Alex L.; Chao, Astoria

    2015-01-01

    This article describes an arts- and spatial thinking skill--integrated inquiry project applied to life science concepts from the Next Generation Science Standards for fourth grade students that focuses on two unifying or crosscutting themes: (1) structure (or "form") and function and (2) use of models. Students made observations and…

  20. Local observations of phase singularities in optical fields in waveguide structures

    NARCIS (Netherlands)

    Balistreri, M.L.M.; Korterik, Jeroen P.; Kuipers, L.; van Hulst, N.F.

    2000-01-01

    The phase evolution of light in an optical waveguide structure has for the first time been visualized with subwavelength resolution using a novel heterodyne interferometric photon scanning tunneling microscope. Phase singularities in the optical field of the waveguide have been observed. The phase

  1. Local structure in the disordered solid solution of cis- and trans-perinones

    DEFF Research Database (Denmark)

    Teteruk, Jaroslav L.; Glinnemann, Juergen; Heyse, Winfried

    2016-01-01

    The cis- and trans-isomers of the polycyclic aromatic compound perinone, C26H12N4O2, form a solid solution (Vat Red 14). This solid solution is isotypic to the crystal structures of cis-perinone (Pigment Red 194) and trans-perinone (Pigment Orange 34) and exhibits a combined positional...

  2. Local Concurrent Error Detection and Correction in Data Structures using Virtual Backpointers.

    Science.gov (United States)

    1987-10-01

    tree. A. V’uira Doub -Linked List The Virtual Double-Linked List (VDLL) is a data structure that employs the virtual back- t pointer and possesses...random variables following a Poisson distribution. Then, random variables T 4 TU and TA follow an exponential distribution with mean time ,. 0 and a

  3. Local foraging and limited mobility: Dynamics of a size-structured consumer population

    NARCIS (Netherlands)

    van Kooten, T.; de Roos, A.M.; Persson, L.

    2004-01-01

    Size-structured population models often exhibit single generation cycles, which are driven by scramble competition within a generation and size-based competitive asymmetry among generations. These cycles are characterized by the dominance of a single cohort and thus by a high degree of

  4. Absence of quantized energy-states local diffusion in semiconductor quantum-dash structures

    KAUST Repository

    Tan, Cheeloon

    2010-01-01

    We present an analysis of InAs/InAlGaAs/InP quantum-dash structures utilizing different degrees of postgrowth-lattice-disordering. The observation of digital transitions among quantized states discards the origins of multiple excited states from a single group of dash ensembles.

  5. Donor-Specific Antibodies Are Produced Locally in Ectopic Lymphoid Structures in Cardiac Allografts

    NARCIS (Netherlands)

    Huibers, M. M H; Gareau, A. J.; Beerthuijzen, J. M T; Siera-de Koning, E.; van Kuik, J.; Kamburova, E. G.; Vink, A.; de Jonge, N.; Lee, T. D G; Otten, H. G.; de Weger, R. A.

    Cardiac allograft vasculopathy (CAV) is a transplant pathology, limiting graft survival after heart transplantation. CAV arteries are surrounded by ectopic lymphoid structures (ELS) containing B cells and plasma cells. The aim of this study was to characterize the antigenic targets of antibodies

  6. An Analysis of Local Power Structure of Thailand: Evolution and Implications

    Directory of Open Access Journals (Sweden)

    SATAPORN ROENGTAM

    2016-07-01

    Full Text Available This study presents the results of the investigation about the current characteristics, composition and relationship of actors in the ‘Power Structure of Thailand’. The concept on ‘Power Structure Analysis’ by William Dommhoff is used to construct the conceptual framework and data analysis. The findings are divided into three (3 issues. Firstly, characteristics of the power structure and actors can be divided into three (3 groups, in which all of them have to work together systematically. Secondly, in terms of composition, these groups can be positioned into three (3 rings of power structures: the inner, middle and outer rings. And thirdly, these groups play certain roles according to their relationship. The inner takes responsibility about creating and planning, the middle takes responsibility about command and control, and the outer take responsibility about actions. All of them will have to work together in order to create, use and maintain their power to continuously collect and protect their interests in the province.

  7. Characterization of patterns of Localized Doping Using Stamping technique for Selective n-Emitter Solar Cell Structure

    Science.gov (United States)

    Mangkornkaew, A.; Fangsuwannarak, T.

    2017-10-01

    In the present, a novel cost-effective process scheme for single step selective emitter diffusion was implemented. It is based on the fabrication of acid-resist pattern using a stamping technique with collaboration of a spin on dopant (SOD) and chemical etched-back emitter methods. The SOD diffusion process provided heavily doping n-emitter. Acid-resist pattern without exploitation of a complex method as a photolithography, was stamped as a metal contact pattern for prevention of a localized heavy-dope region from etching back. Phosphorus doping profiles were controlled by etching back time to provide the formation of n-type selective emitter. Sheet resistance is tunable from 10 to 180 Ohm/Sq on localized n-layer. After removal of the patterned acid-resist, the selective n-emitter solar cell structure was obtained under one-step diffusion to achieve a better blue-light response and low contact resistance.

  8. Localized excitons in In sub x Ga sub 1 sub - sub x N/GaN quantum well structure

    CERN Document Server

    Ryu, M Y; Park, S W; Yu, P W; Oh, E S; Park, Y J; Park, H S; Kim, T I

    1998-01-01

    Photoluminescence (PL) photoreflectance (PR) have been employed to study the optical transitions of In sub x Ga sub 1 sub - sub x N/GaN quantum well (QW) structures grown by metal-organic chemical vapor deposition (MOCVD). The main Pl peak at 2.895 eV is attributed to the excitons localized at trap centers, which originate from the In-rich region within the well. Several emission bands on both sides of the main peak are attributed to the interference fringe effects and the recombination of excitons localized at several levels in the In sub 0 sub . sub 1 sub 8 sub 3 Ga sub 0 sub . sub 8 sub 1 sub 7 N well. The PL peak at 3.040 eV is ascribed to the lowest n=1 quantized transition which agrees well the calculated result.

  9. A Local Controller for Discrete-Time Large-Scale System by Using Integral Variable Structure Control

    Directory of Open Access Journals (Sweden)

    C. H. Chai

    2015-01-01

    Full Text Available A new local controller for discrete-time integral variable structure control of a large-scale system with matched and unmatched uncertainty is presented. The local controller is able to bring the large-scale system into stability by using only the states feedback from individual subsystem itself. A new theorem is established and proved that the controller is able to handle the effect of interconnection for the large-scale system with matched and unmatched uncertainty, and the system stability is ensured. The controller is able to control the system to achieve the quasi-sliding surface and remains on it. The results showed a fast convergence to the desired value and the attenuation of disturbance is achieved.

  10. Structure of mangrove meiofaunal assemblages associated with local sediment conditions in subtropical eastern australia

    Science.gov (United States)

    Abdullah, Maizah M.; Lee, S. Y.

    2017-11-01

    Meiofauna are ubiquitous but poorly-studied components of soft-bottom marine habitats around the world, including mangroves. The dynamic environmental conditions and heterogeneous sediments of mangroves present challenges to understanding the structure of mangrove meiofaunal assemblages at various spatial and temporal scales. In this study, we investigated the meiofaunal assemblage structure of sediments colonised by three mangrove species, namely, Avicennia marina, Rhizophora stylosa and Aegiceras corniculatum, at three locations in subtropical eastern Australia. Spatial and temporal variations were tested by sampling at the three mangrove locations (i.e. Tallebudgera, Currumbin and Terranora) in autumn, with samplings repeated at Tallebudgera at two other times broadly representing during dry/cool winter and wet/hot summer seasons. We examined the variability of the sediment environments within each of the different mangrove species, and investigated how meiofaunal assemblages would respond to the particular changes in their habitats to result in differences in assemblage structure between and within sites. Total meiofaunal density was highest in Tallebudgera and Currumbin and lowest in Terranora (mean density of 424, 393 and 239 ind.10 cm-2, respectively). In Tallebudgera, the density was higher in winter and summer (mean density of 546 and 530 ind.10 cm-2, respectively). The meiofaunal assemblage in this study shows a trend and association with the environmental variables. High availability of food proxies such phaeopigments, Chl a or TOC, with moderate tannin content and appropriate habitat structure (sediment particle size, belowground root biomass and/or moisture content provide the best condition for the meiofauna to achieve the highest density. However, given the complex dynamic habitats and the spatial heterogeneity of the mangrove environments across different locations and seasons, no clear generalization could be made regarding the key environmental

  11. Local-scale patterns of genetic variability, outcrossing, and spatial structure in natural stands of Arabidopsis thaliana.

    Directory of Open Access Journals (Sweden)

    Kirsten Bomblies

    2010-03-01

    Full Text Available As Arabidopsis thaliana is increasingly employed in evolutionary and ecological studies, it is essential to understand patterns of natural genetic variation and the forces that shape them. Previous work focusing mostly on global and regional scales has demonstrated the importance of historical events such as long-distance migration and colonization. Far less is known about the role of contemporary factors or environmental heterogeneity in generating diversity patterns at local scales. We sampled 1,005 individuals from 77 closely spaced stands in diverse settings around Tübingen, Germany. A set of 436 SNP markers was used to characterize genome-wide patterns of relatedness and recombination. Neighboring genotypes often shared mosaic blocks of alternating marker identity and divergence. We detected recent outcrossing as well as stretches of residual heterozygosity in largely homozygous recombinants. As has been observed for several other selfing species, there was considerable heterogeneity among sites in diversity and outcrossing, with rural stands exhibiting greater diversity and heterozygosity than urban stands. Fine-scale spatial structure was evident as well. Within stands, spatial structure correlated negatively with observed heterozygosity, suggesting that the high homozygosity of natural A. thaliana may be partially attributable to nearest-neighbor mating of related individuals. The large number of markers and extensive local sampling employed here afforded unusual power to characterize local genetic patterns. Contemporary processes such as ongoing outcrossing play an important role in determining distribution of genetic diversity at this scale. Local "outcrossing hotspots" appear to reshuffle genetic information at surprising rates, while other stands contribute comparatively little. Our findings have important implications for sampling and interpreting diversity among A. thaliana accessions.

  12. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation.

    Science.gov (United States)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-08-07

    Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance.

  13. Elevation modulates how Arctic arthropod communities are structured along local environmental gradients

    DEFF Research Database (Denmark)

    Høye, Toke Thomas; Bowden, Joseph James; Hansen, Oskar Liset Pryds

    2017-01-01

    clearly demonstrated. By replicating studies along shrub and moisture gradients at multiple elevations and using space-for-time substitution, it is possible to examine how arthropod communities may respond to future environmental change. We collected and identified 4640 adult specimens of spiders...... composition was significantly related to shrub height and soil moisture, and that this relationship varied between low and high elevation. Among the 46 species we found, more species were unique to the high elevation plots than to the low elevation plots, a finding that was most pronounced for spiders...... in plots along soil moisture gradients. Indicator species analysis corroborated earlier findings of the indicator value of specific species in Greenland and suggested that beetles may serve as better indicators of specific habitats than spiders. The location of plots along local environmental gradients...

  14. Structure of Eigenstates and Local Spectral Density of States A Three-Orbital Schematic Shell Model

    CERN Document Server

    Wang, W; Casati, G; Wang, Wen-ge

    1998-01-01

    The average shape of the Spectral Local Density of States (LDOS) and eigenfunctions (EFs) has been studied numerically for a conservative dynamical model (three-orbital Lipkin-Meshkov-Glick model) which can exhibit strong chaos in the classical limit. The attention is paid to the comparison of the shape of LDOS with that known for random matrix models, as well as to the shape of the EFs, for different values of the perturbation strength. The classical counterparts of the LDOS has also been studied and found in a remarkable agreement with the quantum calculations. Finally, by making use of a generalization of Brillouin- Wigner perturbation expansion, the form of long tails of LDOS and EFs is given analytically and confirmed numerically.

  15. New clues to the local atomic structure of short-range ordered ferric arsenate from extended X-ray absorption fine structure spectroscopy.

    Science.gov (United States)

    Mikutta, Christian; Mandaliev, Petar N; Kretzschmar, Ruben

    2013-04-02

    Short-range ordered ferric arsenate (FeAsO4 · xH2O) is a secondary As precipitate frequently encountered in acid mine waste environments. Two distinct structural models have recently been proposed for this phase. The first model is based on the structure of scorodite (FeAsO4 · 2H2O) where isolated FeO6 octahedra share corners with four adjacent arsenate (AsO4) tetrahedra in a three-dimensional framework (framework model). The second model consists of single chains of corner-sharing FeO6 octahedra being bridged by AsO4 bound in a monodentate binuclear (2)C complex (chain model). In order to rigorously test the accuracy of both structural models, we synthesized ferric arsenates and analyzed their local (absorption fine structure (EXAFS) spectroscopy. We found that both As and Fe K-edge EXAFS spectra were most compatible with isolated FeO6 octahedra being bridged by AsO4 tetrahedra (RFe-As = 3.33 ± 0.01 Å). Our shell-fit results further indicated a lack of evidence for single corner-sharing FeO6 linkages in ferric arsenate. Wavelet-transform analyses of the Fe K-edge EXAFS spectra of ferric arsenates complemented by shell fitting confirmed Fe atoms at an average distance of ∼5.3 Å, consistent with crystallographic data of scorodite and in disagreement with the chain model. A scorodite-type local structure of short-range ordered ferric arsenates provides a plausible explanation for their rapid transformation into scorodite in acid mining environments.

  16. Local and global patterns of admixture and population structure in Iranian native cattle.

    Science.gov (United States)

    Karimi, Karim; Strucken, Eva M; Moghaddar, Nasir; Ferdosi, Mohammad H; Esmailizadeh, Ali; Gondro, Cedric

    2016-07-15

    Two separate domestication events gave rise to humped zebu cattle in India and humpless taurine cattle in the Fertile Crescent of the Near and Middle East. Iran covers the Eastern side of the Fertile Crescent and exhibits a variety of native cattle breeds, however, only little is known about the admixture patterns of Iranian cattle and their contribution to the formation of modern cattle breeds. Genome-wide data (700 k chip) of eight Iranian cattle breeds (Sarabi N = 19, Kurdi N = 7, Taleshi N = 7, Mazandarani N = 10, Najdi N = 7, Pars N = 7, Kermani N = 9, and Sistani N = 9) were collected from across Iran. For a local assessment, taurine (Holstein and Jersey) and indicine (Brahman) outgroup samples were used. For the global perspective, 134 world-wide cattle breeds were included. Between breed variation amongst Iranian cattle explained 60 % (p populations most accurately explained the admixture of 44 selected representative cattle breeds (standard error 0.4617). Low levels of African ancestry were identified in Iranian cattle breeds (on average 7.5 %); however, the signal did not persist through all analyses. Admixture and migration analyses revealed minimal introgression from Iranian cattle into other taurine cattle (Holstein, Hanwoo, Anatolian breeds). The eight Iranian cattle breeds feature a discrete genetic composition which should be considered in conservation programs aimed at preserving unique species and genetic diversity. Despite a complex admixture pattern among Iranian cattle breeds, there was no strong introgression from other world-wide cattle breeds into Iranian cattle and vice versa. Considering Iran's central location of cattle domestication, Iranian cattle might represent a local domestication event that remained contained and did not contribute to the formation of modern breeds, or genetics of the ancestral population that gave rise to modern cattle is too diluted to be linked directly to any current cattle

  17. Surface epitope localization and gene structure of a Babesia bovis 44-kilodalton variable merozoite surface antigen.

    Science.gov (United States)

    Jasmer, D P; Reduker, D W; Hines, S A; Perryman, L E; McGuire, T C

    1992-10-01

    Variation of Babesia bovis merozoite surface antigens occurs among geographic strains of the parasite. In this and a concurrent report, we investigate this variation at the gene and protein level. Using a monoclonal antibody (mAb 23/70.174), B. bovis gene sequences were identified that encoded a surface epitope of a 44-kDa merozoite surface antigen (MSA-2). This epitope is variably expressed among geographic isolates of B. bovis. Here, we describe the MSA-2 protein gene sequence, localize this surface epitope to a repeated amino acid sequence, and investigate the genomic organization of the gene in B. bovis strains from Mexico and Australia. The predicted protein sequence had hydrophobic regions at its amino and carboxy termini consistent with a signal peptide and a membrane anchor via glycosylphosphatidyl inositol, respectively. The surface epitope recognized by mAb 23/70.174 was localized within a 24-amino acid sequence which is repeated twice in tandem. Six different EcoRI bands hybridized to the MSA-2 gene sequence with varying intensities in genomic Southern blots of the homologous strain. Two of these appear to be alleles of the MSA-2 gene. Whereas 5' and 3' sequences of the MSA-2 gene sequence were detected in an Australia strain of B. bovis, internal gene sequences encoding the surface epitope were not. The 3' sequences of the MSA-2 gene also had significant sequence similarity with the MSA-1 gene of the Mexico strain B. bovis and a gene from the previously described BabR locus. These data indicate that the MSA-2 protein gene belongs to the BabR locus which encodes variable merozoite surface antigens.

  18. Temporal expression and immunogold localization of Plodia interpunctella granulosis virus structural proteins

    Science.gov (United States)

    Funk, C. J.; Consigli, R. A.; Spooner, B. S. (Principal Investigator)

    1993-01-01

    Monospecific antisera were produced against four structural proteins (VP12, VP17, VP31, and granulin) of the Plodia interpunctella granulosis virus using polypeptides derived by sodium dodecyl sulfate-polyacrylamide gel electrophoresis or acid extraction. The antisera were shown to be specific on immunoblots of SDS-PAGE separated granulosis virus and were further used to detect structural proteins in infected fat body lysates. Immunoblots of fat body lysates from early stages of infection indicated that VP12, VP17, VP31, and granulin were expressed by 2.5 days post-infection. Immunogold labeling of the virus using the monospecific antisera and electron microscopy confirmed earlier reports that granulin is located in the protein matrix, V17 is an envelope protein, and VP31 is a capsid protein.

  19. Blue photoluminescence and local structure of Si nanostructures embedded in SiO2 matrices

    Science.gov (United States)

    Zhang, Qi; Bayliss, S. C.; Hutt, D. A.

    1995-04-01

    Strong and stable blue photoluminescence (PL), visible to the naked eye under 0.4 μW of 300 nm and 2.7 μW of 370 nm excitation, has been observed for samples of Si clusters embedded in SiO2 matrices, prepared by rf co-sputtering followed by N2 annealing at 800 °C. Si K-edge extended x-ray absorption fine structure (EXAFS) and near-edge x-ray absorption fine structure (NEXAFS) strongly suggest the existence of Si nanoclusters with crystalline cores in the efficient emitting material. The PL excitation dependence is explained by an increase in the conduction band density of states deep in the band, and the formation of a band tail.

  20. Acoustic emission based damage localization in composites structures using Bayesian identification

    Science.gov (United States)

    Kundu, A.; Eaton, M. J.; Al-Jumali, S.; Sikdar, S.; Pullin, R.

    2017-05-01

    Acoustic emission based damage detection in composite structures is based on detection of ultra high frequency packets of acoustic waves emitted from damage sources (such as fibre breakage, fatigue fracture, amongst others) with a network of distributed sensors. This non-destructive monitoring scheme requires solving an inverse problem where the measured signals are linked back to the location of the source. This in turn enables rapid deployment of mitigative measures. The presence of significant amount of uncertainty associated with the operating conditions and measurements makes the problem of damage identification quite challenging. The uncertainties stem from the fact that the measured signals are affected by the irregular geometries, manufacturing imprecision, imperfect boundary conditions, existing damages/structural degradation, amongst others. This work aims to tackle these uncertainties within a framework of automated probabilistic damage detection. The method trains a probabilistic model of the parametrized input and output model of the acoustic emission system with experimental data to give probabilistic descriptors of damage locations. A response surface modelling the acoustic emission as a function of parametrized damage signals collected from sensors would be calibrated with a training dataset using Bayesian inference. This is used to deduce damage locations in the online monitoring phase. During online monitoring, the spatially correlated time data is utilized in conjunction with the calibrated acoustic emissions model to infer the probabilistic description of the acoustic emission source within a hierarchical Bayesian inference framework. The methodology is tested on a composite structure consisting of carbon fibre panel with stiffeners and damage source behaviour has been experimentally simulated using standard H-N sources. The methodology presented in this study would be applicable in the current form to structural damage detection under varying

  1. Local scour at roundhead and along the trunk of low crested structures

    DEFF Research Database (Denmark)

    Sumer, B. Mutlu; Fredsøe, Jørgen; Lamberti, Alberto

    2005-01-01

    not exhibit the pattern experienced in the case of emerged breakwaters where the scour and deposition areas are bcorrelatedQ with the nodal and antinodal points of the standing wave in front of the structure. Furthermore, it was found that scour occurs not only at the offshore side of the breakwater but also...... observations undertaken in the present study. Recommendations are made for toe protection for both the trunk scour and the roundhead scour....

  2. Population structure and genome characterization of local pig breeds in Russia, Belorussia, Kazakhstan and Ukraine.

    Science.gov (United States)

    Traspov, Aleksei; Deng, Wenjiang; Kostyunina, Olga; Ji, Jiuxiu; Shatokhin, Kirill; Lugovoy, Sergey; Zinovieva, Natalia; Yang, Bin; Huang, Lusheng

    2016-03-01

    It is generally accepted that domestication of pigs took place in multiple locations across Eurasia; the breeds that originated in Europe and Asia have been well studied. However, the genetic structure of pig breeds from Russia, Belorussia, Kazakhstan and Ukraine, which represent large geographical areas and diverse climatic zones in Eurasia, remains largely unknown. This study provides the first genomic survey of 170 pigs representing 13 breeds from Russia, Belorussia, Kazakhstan and Ukraine; 288 pigs from six Chinese and seven European breeds were also included for comparison. Our findings show that the 13 novel breeds tested derived mainly from European pigs through the complex admixture of Large White, Landrace, Duroc, Hampshire and other breeds, and that they display no geographic structure based on genetic distance. We also found a considerable Asian contribution to the miniature Siberian pigs (Minisib breed) from Russia. Apart from the Minisib, Urzhum, Ukrainian Spotted Steppe and Ukrainian White Steppe breeds, which may have undergone intensive inbreeding, the breeds included in this study showed relatively high genetic diversity and low levels of homozygosity compared to the Chinese indigenous pig breeds. This study provides the first genomic overview of the population structure and genetic diversity of 13 representative pig breeds from Russia, Belorussia, Kazakhstan and Ukraine; this information will be useful for the preservation and management of these breeds.

  3. Flaws detection and localization in weld structure using the topological energy method

    Science.gov (United States)

    Lubeigt, Emma; Mensah, Serge; Rakotonarivo, Sandrine; Chaix, Jean-François; Gobillot, Gilles; Baqué, François

    2017-02-01

    The non-destructive testing of austenitic welds using ultrasound plays an important role in the assessment of the structural integrity and safety of critical structures in a nuclear reactor. The bedspring and the deck are complex welded structures of very restricted access; the ability to reliably detect and locate defects like cracks is therefore a difficult challenge. Ultrasonic testing is a well-recognized non-invasive technique which exhibits high characterization performances in homogeneous media (steel). However, its capabilities are hampered when operating in heterogeneous and anisotropic austenitic welds because of deviation and splitting of the ultrasonic beam. In order to rise to this important challenge, a model-based method is proposed, which takes into account a prior knowledge corresponding to the welding procedure specifications that condition the austenitic grains orientation within the weld and thus the wave propagation. The topological imaging method implemented is a differential approach which, compares signals from the reference defect-free medium to the inspected medium. It relies on combinations of two computed ultrasonic fields, one forward and one adjoint. Numerical simulations and experiments have been carried out to validate the practical relevance of this approach to detect and locate a flaw in a weld.

  4. The band gap variation of a two dimensional binary locally resonant structure in thermal environment

    Directory of Open Access Journals (Sweden)

    Zhen Li

    2017-01-01

    Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

  5. LoCo: a novel main chain scoring function for protein structure prediction based on local coordinates

    Science.gov (United States)

    2011-01-01

    Background Successful protein structure prediction requires accurate low-resolution scoring functions so that protein main chain conformations that are close to the native can be identified. Once that is accomplished, a more detailed and time-consuming treatment to produce all-atom models can be undertaken. The earliest low-resolution scoring used simple distance-based "contact potentials," but more recently, the relative orientations of interacting amino acids have been taken into account to improve performance. Results We developed a new knowledge-based scoring function, LoCo, that locates the interaction partners of each individual residue within a local coordinate system based only on the position of its main chain N, Cα and C atoms. LoCo was trained on a large set of experimentally determined structures and optimized using standard sets of modeled structures, or "decoys." No structure used to train or optimize the function was included among those used to test it. When tested against 29 other published main chain functions on a group of 77 commonly used decoy sets, our function outperformed all others in Cα RMSD rank of the best-scoring decoy, with statistically significant p-values LoCo is fast, requiring on average less than 6 microseconds per residue for interaction and scoring on commonly-used computer hardware. Conclusions Our function demonstrates an unmatched combination of accuracy, speed, and simplicity and shows excellent promise for protein structure prediction. Broader applications may include protein-protein interactions and protein design. PMID:21920038

  6. LoCo: a novel main chain scoring function for protein structure prediction based on local coordinates

    Directory of Open Access Journals (Sweden)

    Samudrala Ram

    2011-09-01

    Full Text Available Abstract Background Successful protein structure prediction requires accurate low-resolution scoring functions so that protein main chain conformations that are close to the native can be identified. Once that is accomplished, a more detailed and time-consuming treatment to produce all-atom models can be undertaken. The earliest low-resolution scoring used simple distance-based "contact potentials," but more recently, the relative orientations of interacting amino acids have been taken into account to improve performance. Results We developed a new knowledge-based scoring function, LoCo, that locates the interaction partners of each individual residue within a local coordinate system based only on the position of its main chain N, Cα and C atoms. LoCo was trained on a large set of experimentally determined structures and optimized using standard sets of modeled structures, or "decoys." No structure used to train or optimize the function was included among those used to test it. When tested against 29 other published main chain functions on a group of 77 commonly used decoy sets, our function outperformed all others in Cα RMSD rank of the best-scoring decoy, with statistically significant p-values Conclusions Our function demonstrates an unmatched combination of accuracy, speed, and simplicity and shows excellent promise for protein structure prediction. Broader applications may include protein-protein interactions and protein design.

  7. Geographical distance and local environmental conditions drive the genetic population structure of a freshwater microalga (Bathycoccaceae; Chlorophyta) in Patagonian lakes.

    Science.gov (United States)

    Fernández, Leonardo D; Hernández, Cristián E; Schiaffino, M Romina; Izaguirre, Irina; Lara, Enrique

    2017-10-01

    The patterns and mechanisms underlying the genetic structure of microbial populations remain unresolved. Herein we investigated the role played by two non-mutually exclusive models (i.e. isolation by distance and isolation by environment) in shaping the genetic structure of lacustrine populations of a microalga (a freshwater Bathycoccaceae) in the Argentinean Patagonia. To our knowledge, this was the first study to investigate the genetic population structure in a South American microorganism. Population-level analyses based on ITS1-5.8S-ITS2 sequences revealed high levels of nucleotide and haplotype diversity within and among populations. Fixation index and a spatially explicit Bayesian analysis confirmed the occurrence of genetically distinct microalga populations in Patagonia. Isolation by distance and isolation by environment accounted for 38.5% and 17.7% of the genetic structure observed, respectively, whereas together these models accounted for 41% of the genetic differentiation. While our results highlighted isolation by distance and isolation by environment as important mechanisms in driving the genetic population structure of the microalga studied, none of these models (either alone or together) could explain the entire genetic differentiation observed. The unexplained variation in the genetic differentiation observed could be the result of founder events combined with rapid local adaptations, as proposed by the monopolisation hypothesis. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  8. Local structure of La1-xSrxCoO3 determined from EXAFS and neutron PDF studies

    Energy Technology Data Exchange (ETDEWEB)

    Proffen, Thomas [Los Alamos National Laboratory; Sundaram, Nalini [UCSC; Jiang, Y [UCSC; Anderson, Ingrid [UCSC; Belanger, D P [UCSC; Booth, C H [LBNL; Bridges, F [UCSC; Mitchell, J F [ANL; Zheng, H [ANL

    2008-01-01

    The combined local structure techniques, extended X-ray absorption fine struture (EXAFS) and neutron pair distribution function (PDF) analysis, have been used for temperatures 4 {<=} T {<=} 330 K to rule out a large Jahn-Teller (J-T) distortion of the Co-O bond in La{sub 1-x}Sr{sub x}CoO{sub 3} for a significant fraction of Co sites (x {<=} 0.35), indicating few, if any, J-T active, single-occupied e{sub g} Co sites exist.

  9. Mechanical response of local rapid cooling by spray water on constrained steel frame structure at high temperature in fire

    Directory of Open Access Journals (Sweden)

    Xia Yunchun

    2015-01-01

    Full Text Available Locally rapid cooling of spray water had strong impact on high temperature steel structure. When temperature of beam reached 600°C and cooling rate was more than 20°C/s, the maximum axial tension could reach more than 5 times of the originally compressive force. The compressive bending moment at joint of beam-to-column changed to tensile bending moment, and the maximum bending moment could reach above 4 times as that when heated. After rapid cooling by spray water, deflection at mid-span increased slightly.

  10. Localized structures and spatiotemporal chaos: comparison between the driven damped sine-Gordon and the Lugiato-Lefever model

    Science.gov (United States)

    Ferré, Michel A.; Clerc, Marcel G.; Coulibally, Saliya; Rojas, René G.; Tlidi, Mustapha

    2017-06-01

    Driven damped coupled oscillators exhibit complex spatiotemporal dynamics. An archetype model is the driven damped sine-Gordon equation, which can describe several physical systems such as coupled pendula, extended Josephson junction, optical systems and driven magnetic wires. Close to resonance an enveloped model in the form Lugiato-Lefever equation can be derived from the driven damped sine-Gordon equation. We compare the dynamics obtained from both models. Unexpectedly, qualitatively similar dynamical behaviors are obtained for both models including homogeneous steady states, localized structures, and pattern waves. For large forcing, both systems share similar spatiotemporal chaos.

  11. Local structure analysis of NaNbO3 and AgNbO3 modified by Li substitution

    Science.gov (United States)

    Yoneda, Yasuhiro; Aoyagi, Rintaro; Fu, Desheng

    2016-10-01

    We analyzed the local structures of NaNbO3 and AgNbO3 by combining the X-ray absorption fine structure (XAFS) and atomic pair-distribution function (PDF) techniques. NaNbO3 is known to be an antiferroelectric material at room temperature. It also undergoes a diffuse phase transition, in which orthorhombic and rhombohedral phases coexist over a wide temperature range. We found a disordered feature in the nearest-neighbor bond distance corresponding to the Nb-O bonds. The disordered bond distribution disappeared when Li was substituted for Na. A similar disorder feature was found in AgNbO3. The disordered site can be specified by combining XAFS and PDF techniques. The sequences of disordered and complex phase transitions are attributable to the competition between the tolerance of the AO12 cage and the tilt of NbO6 octahedra.

  12. Local structural distortions in strained Ba0.5Sr0.5TiO3 thin films

    Science.gov (United States)

    Woicik, J. C.; Shirley, E. L.; Gilmore, K.; Andersen, K. E.; Hellberg, C. Stephen

    2017-09-01

    The local atomic geometries in Ba0.5Sr0.5TiO3 thin films grown on MgO(001) substrates have been determined by Ti 1 s near-edge x-ray-absorption fine-structure measurements and density-functional-theory calculations. The accuracy of the atomic geometries predicted by density-functional theory is demonstrated by simulations of the near-edge x-ray-absorption fine-structure spectra using a Bethe-Salpeter treatment of the Ti 1 s core-hole interaction in the films. Our results show that films with either c >a or c 10.1103/PhysRevLett.80.1988, and the polarizations are rotated significantly larger than the geometry would suggest.

  13. Estimating tropical forest structure using discrete return lidar data and a locally trained synthetic forest algorithm

    Science.gov (United States)

    Palace, M. W.; Sullivan, F. B.; Ducey, M.; Czarnecki, C.; Zanin Shimbo, J.; Mota e Silva, J.

    2012-12-01

    Forests are complex ecosystems with diverse species assemblages, crown structures, size class distributions, and historical disturbances. This complexity makes monitoring, understanding and forecasting carbon dynamics difficult. Still, this complexity is also central in carbon cycling of terrestrial vegetation. Lidar data often is used solely to associate plot level biomass measurements with canopy height models. There is much more that may be gleaned from examining the full profile from lidar data. Using discrete return airborne light detection and ranging (lidar) data collected in 2009 by the Tropical Ecology Assessment and Monitoring Network (TEAM), we compared synthetic vegetation profiles to lidar-derived relative vegetation profiles (RVPs) in La Selva, Costa Rica. To accomplish this, we developed RVPs to describe the vertical distribution of plant material on 20 plots at La Selva by transforming cumulative lidar observations to account for obscured plant material. Hundreds of synthetic profiles were developed for forests containing approximately 200,000 trees with random diameter at breast height (DBH), assuming a Weibull distribution with a shape of 1.0, and mean DBH ranging from 0cm to 500cm. For each tree in the synthetic forests, crown shape (width, depth) and total height were estimated using previously developed allometric equations for tropical forests. Profiles for each synthetic forest were generated and compared to TEAM lidar data to determine the best fitting synthetic profile to lidar profiles for each of 20 field plots at La Selva. After determining the best fit synthetic profile using the minimum sum of squared differences, we are able to estimate forest structure (diameter distribution, height, and biomass) and to compare our estimates to field data for each of the twenty field plots. Our preliminary results show promise for estimating forest structure and biomass using lidar data and computer modeling.

  14. Local atomic structure of solid solutions with overlapping shells by EXAFS: The regularization method

    Energy Technology Data Exchange (ETDEWEB)

    Babanov, Yu.A., E-mail: babanov@imp.uran.ru [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ponomarev, D.A.; Ustinov, V.V. [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Baranov, A.N. [M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Zubavichus, Ya.V. [Russian Research Centre “Kurchatov Institute”, 123182 Moscow (Russian Federation)

    2016-08-15

    Highlights: • A method for determining bond lengths from combined EXAFS spectra for solid oxide solutions is proposed. • We have demonstrated a high resolution in r-space of close spacing atoms in the Periodical Table. • These results were obtained without any assumptions concerning interatomic distances for multi-component systems. • Coordinates ions for the solid solution with rock salt structure are determined. - Abstract: The regularization method of solving ill-posed problem is used to determine five partial interatomic distances on the basis of combined two EXAFS spectra. Mathematical algorithm and experimental results of the EXAFS analysis for Ni{sub c}Zn{sub 1−c}O (c = 0.0, 0.3, 0.5, 0.7, 1.0) solid solutions with the rock salt (rs) crystal structure are discussed. Samples were synthesized from the binary oxide powders at pressure of 7.7 GPa and temperatures 1450–1650 K. The measurements were performed using synchrotron facilities (Russian Research Centre “Kurchatov Institute”, Moscow). The Ni and Zn K absorption spectra were recorded in transmission mode under room temperature. It is shown, the ideal rock salt lattice is distorted and long-range order exists only in the average (Vegard law). In order to determine coordinates ions for the solid solution with rock salt structure, we used the Pauling model. The simulation is performed for 343,000 cluster of oxide ions. The distribution functions for ions (Ni−O, Ni−Ni, Ni−Zn, Zn−Zn, Zn−O, O−O) depending on the distance are obtained. The width of the Gaussian distribution function is determined by the difference of the radii of the metal ions. The results are consistent with the data both X-ray diffraction and the EXAFS spectroscopy.

  15. Localization of germ plasm-related structures during sea urchin oogenesis.

    Science.gov (United States)

    Yakovlev, Konstantin V

    2016-01-01

    Animal germ cells have specific organelles that are similar to ribonucleoprotein complex, called germ plasm, which is accumulated in eggs. Germ plasm is essential for inherited mechanism of germ line segregation in early embryogenesis. Sea urchins have early germ line segregation in early embryogenesis. Nevertheless, organization of germ plasm-related organelles and their molecular composition are still unclear. Another issue is whether maternally accumulated germ plasm exists in the sea urchin eggs. I analyzed intracellular localization of germ plasm during oogenesis in sea urchin Strongylocentrotus intermedius by using morphological approach and immunocytochemical detection of Vasa, a germ plasm marker. All ovarian germ cells have germ plasm-related organelles in the form of germ granules, Balbiani bodies, and perinuclear nuage found previously in germ cells in other animals. Maternal germ plasm is accumulated in late oogenesis at the cell periphery. Cytoskeletal drug treatment showed an association of Vasa-positive granules with actin filaments in the egg cortex. All female germ cells of sea urchins have germ plasm-related organelles. Eggs have a maternally accumulated germ plasm associated with cortical cytoskeleton. These findings correlate with early segregation of germ line in sea urchins. © 2015 Wiley Periodicals, Inc.

  16. Visual Odometry Based on Structural Matching of Local Invariant Features Using Stereo Camera Sensor

    Directory of Open Access Journals (Sweden)

    Antonio Bandera

    2011-07-01

    Full Text Available This paper describes a novel sensor system to estimate the motion of a stereo camera. Local invariant image features are matched between pairs of frames and linked into image trajectories at video rate, providing the so-called visual odometry, i.e., motion estimates from visual input alone. Our proposal conducts two matching sessions: the first one between sets of features associated to the images of the stereo pairs and the second one between sets of features associated to consecutive frames. With respect to previously proposed approaches, the main novelty of this proposal is that both matching algorithms are conducted by means of a fast matching algorithm which combines absolute and relative feature constraints. Finding the largest-valued set of mutually consistent matches is equivalent to finding the maximum-weighted clique on a graph. The stereo matching allows to represent the scene view as a graph which emerge from the features of the accepted clique. On the other hand, the frame-to-frame matching defines a graph whose vertices are features in 3D space. The efficiency of the approach is increased by minimizing the geometric and algebraic errors to estimate the final displacement of the stereo camera between consecutive acquired frames. The proposed approach has been tested for mobile robotics navigation purposes in real environments and using different features. Experimental results demonstrate the performance of the proposal, which could be applied in both industrial and service robot fields.

  17. Charge inhomogeneities in the colossal magnetoresistant manganites from the local atomic structure

    Energy Technology Data Exchange (ETDEWEB)

    Billinge, S. J. L.; Petkov, V.; Proffen, T.; Kwei, G. H.; Sarrao, J. L.; Shastri, S. D.; Kycia, S.

    2000-01-12

    The authors have measured atomic pair distribution functions (PDF) of La{sub 1{minus}x}Ca{sub x}MnO{sub 3} using high energy x-ray diffraction. This approach yields accurate PDFs with very high real-space resolution. It also avoids potential pitfalls from the more usual neutron measurements that magnetic scattering is present in the measurement, that the neutron scattering length of manganese is negative leading to partial cancellation of PDF peaks, and that inelasticity effects might distort the resulting PDF. They have used this to address the following questions which do not have a satisfactory answer: (1) What are the amplitudes and natures of the local Jahn-Teller and polaronic distortions in the CMR region. (2) Is the ground-state of the ferromagnetic metallic phase delocalized or polaronic. (3) As one moves away from the ground-state, by raising temperature or decreasing doping, towards the metal insulator transition, how does the state of the material evolve?

  18. Classification of real and pseudo microRNA precursors using local structure-sequence features and support vector machine

    Directory of Open Access Journals (Sweden)

    Liu Guo-Ping

    2005-12-01

    Full Text Available Abstract Background MicroRNAs (miRNAs are a group of short (~22 nt non-coding RNAs that play important regulatory roles. MiRNA precursors (pre-miRNAs are characterized by their hairpin structures. However, a large amount of similar hairpins can be folded in many genomes. Almost all current methods for computational prediction of miRNAs use comparative genomic approaches to identify putative pre-miRNAs from candidate hairpins. Ab initio method for distinguishing pre-miRNAs from sequence segments with pre-miRNA-like hairpin structures is lacking. Being able to classify real vs. pseudo pre-miRNAs is important both for understanding of the nature of miRNAs and for developing ab initio prediction methods that can discovery new miRNAs without known homology. Results A set of novel features of local contiguous structure-sequence information is proposed for distinguishing the hairpins of real pre-miRNAs and pseudo pre-miRNAs. Support vector machine (SVM is applied on these features to classify real vs. pseudo pre-miRNAs, achieving about 90% accuracy on human data. Remarkably, the SVM classifier built on human data can correctly identify up to 90% of the pre-miRNAs from other species, including plants and virus, without utilizing any comparative genomics information. Conclusion The local structure-sequence features reflect discriminative and conserved characteristics of miRNAs, and the successful ab initio classification of real and pseudo pre-miRNAs opens a new approach for discovering new miRNAs.

  19. Staves and Petals: Multi-module Local Support Structures of the ATLAS ITk Strips Upgrade

    CERN Document Server

    Rodriguez Rodriguez, Daniel; The ATLAS collaboration

    2017-01-01

    The ATLAS Inner Tracker (ITk) is an all-silicon tracker that will replace the existing inner detector at the Phase-II Upgrade of ATLAS. The outermost part of the tracker consists of the strips tracker, in which the sensor elements consist of silicon micro-strip sensors with strip lengths varying from 1.7 to up to 10 cm. The current design is part of the ATLAS ITk Strip Detector Technical Design Report (TDR) and envisions a four-layer barrel and two six-disk end-cap regions. The sensor and readout units (``modules'') are directly glued onto multi-module, low-mass, high thermal performance carbon fibre structures, called “staves” for the barrel and ``petals'' for the end-cap. They provide cooling, power, data and control lines to the modules with a minimal amount of external services. An extensive prototyping program was put in place over the last years to fully characterise these structures mechanically, thermally, and electrically. Thermo-mechanical stave and petal prototypes have recently been built and ...

  20. Communication: Relationship between local structure and the stability of water in hydrophobic confinement

    Science.gov (United States)

    Altabet, Y. Elia; Debenedetti, Pablo G.

    2017-12-01

    Liquid water confined between nanoscale hydrophobic objects can become metastable with respect to its vapor at nanoscale separations. While the separations are only several molecular diameters, macroscopic theories are often invoked to interpret the thermodynamics and kinetics of water under confinement. We perform detailed rate and free energy calculations via molecular simulations in order to assess the dependence of the rate of evaporation, free energy barriers, and free energy differences between confined liquid and vapor upon object separation and compare them to the relevant macroscopic theories. At small enough separations, the rate of evaporation appears to deviate significantly from the predictions of classical nucleation theory, and we attribute such deviations to changes in the structure of the confined liquid film. However, the free energy difference between the confined liquid and vapor phases agrees quantitatively with macroscopic theory, and the free energy barrier to condensation displays qualitative agreement. Overall, the present work suggests that theories attempting to capture the kinetic behavior of nanoscale systems should incorporate structural details rather than treating it as a continuum.

  1. Crustal seismic structure beneath the Deccan Traps area (Gujarat, India), from local travel-time tomography

    Science.gov (United States)

    Prajapati, Srichand; Kukarina, Ekaterina; Mishra, Santosh

    2016-03-01

    The Gujarat region in western India is known for its intra-plate seismic activity, including the Mw 7.7 Bhuj earthquake, a reverse-faulting event that reactivated normal faults of the Mesozoic Kachchh rift zone. The Late Cretaceous Deccan Traps, one of the largest igneous provinces on the Earth, cover the southern part of Gujarat. This study is aimed at bringing light to the crustal rift zone structure and likely origin of the Traps based on the velocity structure of the crust beneath Gujarat. Tomographic inversion of the Gujarat region was done using the non-linear, passive-source tomographic algorithm, LOTOS. We use high-quality arrival times of 22,280 P and 22,040 S waves from 3555 events recorded from August 2006 to May 2011 at 83 permanent and temporary stations installed in Gujarat state by the Institute of Seismological Research (ISR). We conclude that the resulting high-velocity anomalies, which reach down to the Moho, are most likely related to intrusives associated with the Deccan Traps. Low velocity anomalies are found in sediment-filled Mesozoic rift basins and are related to weakened zones of faults and fracturing. A low-velocity anomaly in the north of the region coincides with the seismogenic zone of the reactivated Kachchh rift system, which is apparently associated with the channel of the outpouring of Deccan basalt.

  2. Three-dimensional local structure of photoexcited Cu diimine complex refined by quantitative XANES analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Smolentsev, G.; Soldatov, A. V.; Chen, L. X.; Chemical Sciences and Engineering Division; Southern Federal Univ.; Northwestern Univ.

    2008-05-28

    The structural details of [Cu(dmp){sub 2}]{sup +} (dmp = 2,9-dimethyl-1,10-phenanthroline) at its metal-to-ligand charge-transfer (MLCT) excited-state in acetonitrile were extracted using quantitative analysis of Cu K-edge X-ray adsorption near edge structure (XANES). The study combines two techniques: fitting experimental XANES spectra with a multidimensional interpolation approximation, and calculating theoretical XANES spectra with molecular potentials beyond the muffin-tin approximation. The results of the study show that the best fit of the experimental XANES data must include a solvent molecule binding to the Cu with a short Cu-N distance of 2.00 {angstrom}. This confirms that the formation of an exciplex is responsible for the excited-state quenching in coordinating solvents, such as acetonitrile. Moreover, the calculations suggest that the formation of this exciplex state is accompanied by significant rocking distortions of the dmp ligands resulting in a 108{sup o} angle between the N(solvent)-Cu bond and the C{sub 2} symmetry axis of the dmp ligand. This combined approach allows us to extract molecular configurations that would otherwise be missed in a conventional qualitative XANES analysis.

  3. Influence of plate geometry, slabs, and viscosity structure on local and global surface motions

    Science.gov (United States)

    Gérault, M.; Becker, T. W.; Kaus, B. J.; Faccenna, C.

    2009-12-01

    Unraveling the dynamics of the Pacific domain is essential in order to understand the net rotation of the lithosphere and relative trench motions. The major processes responsible for plate motions in the Pacific region are still debated although they have been attributed recently to keels, mountains, and/or plate dimensions. In this study, we perform numerical experiments to test several combinations of ocean basin geometries and viscosity structures. Changes in global plate motions and trench behavior occur as a response to differential spreading rates, basin width, slab morphology, and plate asymmetry. The influence of strength of the plate boundaries on mantle flow is evaluated as well. The pressure, velocity, and stress fields in the lithosphere and the upper mantle are computed using the two-dimensional (2-D) finite element code MILAMIN. A comparison between Cartesian and cylindrical models provides a quantitative analysis of the interactions of flow related to each of these different configurations. Our results suggest that the dynamics of an oceanic domain surrounded by subducting slabs are significantly affected by the width and geometry of the basin. The asymmetry of plates in terms of length, thickness, and slab geometry leads to a net motion that is up to 15% of the maximum surface motion. We find that for each particular combination of asymmetry and viscosity structure, there exists a critical basin size that maximizes the net rotation of the lithosphere.

  4. Dependence of Localized Electronic Structure on Ligand Configuration in the [2Fe] Hydrogenase Catalytic Core^*

    Science.gov (United States)

    Chang, Christopher H.; Kim, Kwiseon

    2007-03-01

    The [FeFe] hydrogenase enzyme is found in a variety of organisms, including Archaea, Eubacteria, and green algae^1,2, and crystallographically determined atomic position data is available for two examples. The biologically unusual catalytic H-cluster, responsible for proton reduction to H2 in vivo, is conserved in the known structures and includes two bis-thiolato bridged iron ions with extensive cyano- and carbonyl ligation. To address the configurational specificity of the diatomic ligand ligation, density functional theoretical calculations were done on [2Fe] core models of the active center, with varying CO and CN^- ligation patterns. Bonding in each complex has been characterized within the Natural Bond Orbital formalism. The effect of ligand configuration on bonding and charge distribution as well as Kohn-Sham orbital structure will be presented. [1] M. Forestier, P. King, L. Zhang, M. Posewitz, S. Schwarzer, T. Happe, M.L. Ghirardi, and M. Seibert, Eur. J. Biochem. 270, 2750 (2003). [2] Posewitz, M.C., P.W. King, S.L. Smolinski, R.D. Smith, II, A.R. Ginley, M.L. Ghirardi, and M. Seibert, Biochem. Soc. Trans. 33, 102 (2005). ^*This work was supported by the US DOE-SC-BES Hydrogen Fuels Initiative, and done in collaboration with the NREL Chemical and Biosciences Center.

  5. Staves and Petals: Multi-module Local Support Structures of the ATLAS ITk Strips Upgrade

    CERN Document Server

    Garcia-Argos, Carlos; The ATLAS collaboration

    2017-01-01

    The ATLAS Inner Tracker (ITk) is an all-silicon tracker that will replace the existing inner detector at the Phase-II Upgrade of ATLAS. The outermost part of the tracker consists of the strips tracker, in which the sensors elements consist of silicon micro-strip sensors with strip lengths varying from 1.7 to up to 10 cm. The current design, at the moment under internal review in the Strips part of the Technical Design Report (TDR), envisions a four-layer barrel and two six-disk endcap regions. The sensor and readout units (“modules”) are directly glued onto multi-module, low-mass, high thermal performance carbon fiber structures, called “staves” for the barrel and “petals” for the endcap. They provide cooling, power, data and control lines to the modules with a minimal amount of external services. An extensive prototyping program was put in place over the last years to fully characterize these structures mechanically, thermally, and electrically. Thermo-mechanical stave and petal prototypes have r...

  6. Dynamics of eddy-driven North Atlantic Oscillations in a localized shifting jet: zonal structure and downstream blocking

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Dehai [Ocean University of China, College of Physical and Environmental Oceanography, Qingdao (China); City University of Hong Kong, CityU-IAP Laboratory for Atmospheric Sciences, Department of Physics and Material Sciences, Hong Kong (China); Zhou, Wen [City University of Hong Kong, CityU-IAP Laboratory for Atmospheric Sciences, Department of Physics and Material Sciences, Hong Kong (China); Wei, Ke [Chinese Academy of Science, Center for Monsoon System Research, IAP, Beijing (China); City University of Hong Kong, CityU-IAP Laboratory for Atmospheric Sciences, Department of Physics and Material Sciences, Hong Kong (China)

    2010-01-15

    In a weakly nonlinear model how an initial dipole mode develops to the North Atlantic Oscillation (NAO) in a localized shifting jet under the prescribed eddy forcing is examined. It is found that the zonal structure of the eddy-driven NAO anomaly is not only dominated by the longitudinal distribution of the preexisting Atlantic storm track, but also by the initial condition of the NAO anomaly itself associated with the interaction between a localized shifting jet and a topographic standing wave over the Atlantic basin. When both the initial NAO anomaly and the eddy vorticity forcing in the prior Atlantic storm track are more zonally localized, the subsequent eddy-driven NAO anomaly can be more zonally isolated and asymmetric. But, it seems that the shape of the initial NAO anomaly associated with the latitudinal shift of a prior Atlantic jet plays a more important role in producing the zonal asymmetry of subsequent NAO patterns. The zonal asymmetry of the NAO anomaly can be enhanced as the height of topography increases. In addition, it is further found that blocking events occur easily over the Europe continent through the decaying of positive-phase NAO events. However, prior to the positive-phase NAO life cycle the variability in each of three factors: the Atlantic jet, the eddy vorticity forcing in the Atlantic storm track and the initial NAO anomaly can result in a variation in the blocking activity over the Europe sector in strength, duration, position and pattern. (orig.)

  7. Probing the flexibility of large conformational changes in protein structures through local perturbations.

    Directory of Open Access Journals (Sweden)

    Bosco K Ho

    2009-04-01

    Full Text Available Protein conformational changes and dynamic behavior are fundamental for such processes as catalysis, regulation, and substrate recognition. Although protein dynamics have been successfully explored in computer simulation, there is an intermediate-scale of motions that has proven difficult to simulate - the motion of individual segments or domains that move independently of the body the protein. Here, we introduce a molecular-dynamics perturbation method, the Rotamerically Induced Perturbation (RIP, which can generate large, coherent motions of structural elements in picoseconds by applying large torsional perturbations to individual sidechains. Despite the large-scale motions, secondary structure elements remain intact without the need for applying backbone positional restraints. Owing to its computational efficiency, RIP can be applied to every residue in a protein, producing a global map of deformability. This map is remarkably sparse, with the dominant sites of deformation generally found on the protein surface. The global map can be used to identify loops and helices that are less tightly bound to the protein and thus are likely sites of dynamic modulation that may have important functional consequences. Additionally, they identify individual residues that have the potential to drive large-scale coherent conformational change. Applying RIP to two well-studied proteins, Dihdydrofolate Reductase and Triosephosphate Isomerase, which possess functionally-relevant mobile loops that fluctuate on the microsecond/millisecond timescale, the RIP deformation map identifies and recapitulates the flexibility of these elements. In contrast, the RIP deformation map of alpha-lytic protease, a kinetically stable protein, results in a map with no significant deformations. In the N-terminal domain of HSP90, the RIP deformation map clearly identifies the ligand-binding lid as a highly flexible region capable of large conformational changes. In the Estrogen

  8. The local structure and EPR parameter of compressed tetrahedral CuIIX4 components in proteins, liquid precursors and nanomaterials

    Science.gov (United States)

    Kuang, Min-Quan; Yuan, Hong-Kuan; Chen, Hong; Wang, Li-Dan; Duan, Shu-Kai

    2017-11-01

    The local structures and EPR parameters of flatten CuIIX4 (X = N, O, S, Se, Cl and Br) compositions in proteins, liquid precursors and nanocrystals are analyzed and computed based on the cluster approach and perturbation method. The g and A components of copper(II) under D2d symmetry are well explained in terms of a global parameter β characterizing the local angular distortion away from the ideal Td tetrahedron where β0 ≈ 109.4712°. The calculated isotropy and anisotropy of g factors (gav and Δg) are found suffering an increase with the enlargement of the obtained βcal, which is consistent with the increasing trends of both experimental Δg and gav. The variation trend of gav can also be interpreted by the decreasing covalence of the studied system (or the increasing covalency factor ρ). On the other hand, the hyperfine structure constant A‖ decreases with increasing βcal. The obtained cubic crystal field parameter Dq and the core polarization constant κ experience the dropping and growing tendencies, respectively, with the enlarging copper-ligand bond length R. The above correlations are appropriate for all the studied CuIIX4 complexes and thus this work would be helpful to establish the complete physical scheme for uniform analysis on spectroscopic and magnetic behaviours of MX4 (M = transition metal and X = halides and pseudohalides) compounds.

  9. Structural determination of importin alpha in complex with beak and feather disease virus capsid nuclear localization signal

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, Edward I. [Charles Sturt University, School of Animal and Veterinary Sciences, Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); EH Graham Centre for Agricultural Innovation (NSW Department of Primary Industries and Charles Sturt University), Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); Dombrovski, Andrew K. [Charles Sturt University, School of Biomedical Sciences, Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); Swarbrick, Crystall M.D. [Charles Sturt University, School of Biomedical Sciences, Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); EH Graham Centre for Agricultural Innovation (NSW Department of Primary Industries and Charles Sturt University), Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); Raidal, Shane R. [Charles Sturt University, School of Animal and Veterinary Sciences, Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); EH Graham Centre for Agricultural Innovation (NSW Department of Primary Industries and Charles Sturt University), Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); Forwood, Jade K., E-mail: jforwood@csu.edu.au [Charles Sturt University, School of Biomedical Sciences, Boorooma St., Wagga Wagga, New South Wales 2678 (Australia); EH Graham Centre for Agricultural Innovation (NSW Department of Primary Industries and Charles Sturt University), Boorooma St., Wagga Wagga, New South Wales 2678 (Australia)

    2013-09-06

    Highlights: •Circovirus capsid proteins contain large nuclear localization signals (NLS). •A method of nuclear import has not been elucidated. •Beak and feather disease virus (BFDV) capsid NLS was crystallized with importin α. •The structure showed BFDV NLS binding to the major site of importin α. •Result shows implications for mechanism of nuclear transport for all circoviruses. -- Abstract: Circoviruses represent a rapidly increasing genus of viruses that infect a variety of vertebrates. Replication requires shuttling viral molecules into the host cell nucleus, a process facilitated by capsid-associated protein (Cap). Whilst a nuclear localization signal (NLS) has been shown to mediate nuclear translocation, the mode of nuclear transport remains to be elucidated. To better understand this process, beak and feather disease virus (BFDV) Cap NLS was crystallized with nuclear import receptor importin-α (Impα). Diffraction yielded structural data to 2.9 Å resolution, and the binding site on both Impα and BFDV Cap NLS were well resolved. The binding mechanism for the major site is likely conserved across circoviruses as supported by the similarity of NLSs in circovirus Caps. This finding illuminates a crucial step for infection of host cells by this viral family, and provides a platform for rational drug design against the binding interface.

  10. Large-scale vortex structures and local heat release in lean turbulent swirling jet-flames under vortex breakdown conditions

    Science.gov (United States)

    Chikishev, Leonid; Lobasov, Aleksei; Sharaborin, Dmitriy; Markovich, Dmitriy; Dulin, Vladimir; Hanjalic, Kemal

    2017-11-01

    We investigate flame-flow interactions in an atmospheric turbulent high-swirl methane/air lean jet-flame at Re from 5,000 to 10,000 and equivalence ratio below 0.75 at the conditions of vortex breakdown. The focus is on the spatial correlation between the propagation of large-scale vortex structures, including precessing vortex core, and the variations of the local heat release. The measurements are performed by planar laser-induced fluorescence of hydroxyl and formaldehyde, applied simultaneously with the stereoscopic particle image velocimetry technique. The data are processed by the proper orthogonal decomposition. The swirl rate exceeded critical value for the vortex breakdown resulting in the formation of a processing vortex core and secondary helical vortex filaments that dominate the unsteady flow dynamics both of the non-reacting and reacting jet flows. The flame front is located in the inner mixing layer between the recirculation zone and the annular swirling jet. A pair of helical vortex structures, surrounding the flame, stretch it and cause local flame extinction before the flame is blown away. This work is supported by Russian Science Foundation (Grant No 16-19-10566).

  11. Tidal stripping and the structure of dwarf galaxies in the Local Group

    Science.gov (United States)

    Fattahi, Azadeh; Navarro, Julio F.; Frenk, Carlos S.; Oman, Kyle A.; Sawala, Till; Schaller, Matthieu

    2018-02-01

    The shallow faint-end slope of the galaxy mass function is usually reproduced in ΛCDM galaxy formation models by assuming that the fraction of baryons that turns into stars drops steeply with decreasing halo mass and essentially vanishes in haloes with maximum circular velocities Vmax dwarfs should therefore have characteristic velocities of about that value, unless they are small enough to probe only the rising part of the halo circular velocity curve (i.e., half-mass radii, r1/2 ≪ 1 kpc). Many dwarfs have properties in disagreement with this prediction: they are large enough to probe their halo Vmax but their characteristic velocities are well below 20 km s-1. These `cold faint giants' (an extreme example is the recently discovered Crater 2 Milky Way satellite) can only be reconciled with our ΛCDM models if they are the remnants of once massive objects heavily affected by tidal stripping. We examine this possibility using the APOSTLE cosmological hydrodynamical simulations of the Local Group. Assuming that low velocity dispersion satellites have been affected by stripping, we infer their progenitor masses, radii, and velocity dispersions, and find them in remarkable agreement with those of isolated dwarfs. Tidal stripping also explains the large scatter in the mass discrepancy-acceleration relation in the dwarf galaxy regime: tides remove preferentially dark matter from satellite galaxies, lowering their accelerations below the amin ˜ 10-11 m s-2 minimum expected for isolated dwarfs. In many cases, the resulting velocity dispersions are inconsistent with the predictions from Modified Newtonian Dynamics, a result that poses a possibly insurmountable challenge to that scenario.

  12. The population genomic landscape of human genetic structure, admixture history and local adaptation in Peninsular Malaysia.

    Science.gov (United States)

    Deng, Lian; Hoh, Boon Peng; Lu, Dongsheng; Fu, Ruiqing; Phipps, Maude E; Li, Shilin; Nur-Shafawati, Ab Rajab; Hatin, Wan Isa; Ismail, Endom; Mokhtar, Siti Shuhada; Jin, Li; Zilfalil, Bin Alwi; Marshall, Christian R; Scherer, Stephen W; Al-Mulla, Fahd; Xu, Shuhua

    2014-09-01

    Peninsular Malaysia is a strategic region which might have played an important role in the initial peopling and subsequent human migrations in Asia. However, the genetic diversity and history of human populations--especially indigenous populations--inhabiting this area remain poorly understood. Here, we conducted a genome-wide study using over 900,000 single nucleotide polymorphisms (SNPs) in four major Malaysian ethnic groups (MEGs; Malay, Proto-Malay, Senoi and Negrito), and made comparisons of 17 world-wide populations. Our data revealed that Peninsular Malaysia has greater genetic diversity corresponding to its role as a contact zone of both early and recent human migrations in Asia. However, each single Orang Asli (indigenous) group was less diverse with a smaller effective population size (N(e)) than a European or an East Asian population, indicating a substantial isolation of some duration for these groups. All four MEGs were genetically more similar to Asian populations than to other continental groups, and the divergence time between MEGs and East Asian populations (12,000--6,000 years ago) was also much shorter than that between East Asians and Europeans. Thus, Malaysian Orang Asli groups, despite their significantly different features, may share a common origin with the other Asian groups. Nevertheless, we identified traces of recent gene flow from non-Asians to MEGs. Finally, natural selection signatures were detected in a batch of genes associated with immune response, human height, skin pigmentation, hair and facial morphology and blood pressure in MEGs. Notable examples include SYN3 which is associated with human height in all Orang Asli groups, a height-related gene (PNPT1) and two blood pressure-related genes (CDH13 and PAX5) in Negritos. We conclude that a long isolation period, subsequent gene flow and local adaptations have jointly shaped the genetic architectures of MEGs, and this study provides insight into the peopling and human migration

  13. Properties of Water Confined in Periodic Mesoporous Organosilicas: Nanoimprinting the Local Structure.

    Science.gov (United States)

    Mietner, J Benedikt; Brieler, Felix J; Lee, Young Joo; Fröba, Michael

    2017-09-25

    The properties of materials confined in porous media are important in scientific and technological aspects. Topology, size, and surface polarity of the pores play a critical role in the confinement effects, however, knowledge regarding the guest-pore interface structure is still lacking. Herein, we show that the molecular mobility of water confined in periodic mesoporous organosilicas (PMOs) is influenced by the polarity of the organic moiety. Multidimensional solid-state NMR spectroscopy directly probes the spatial arrangement of water inside the pores, showing that water interacts either with only the silicate layer or with both silicate and organic layers depending on the alternating surface polarity. A modulated and a uniform pore filling mode are proposed for different types of PMOs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The organization of mineral exploitation and the relationship to urban structures and local business development

    DEFF Research Database (Denmark)

    Hendriksen, Kåre; Hoffmann, Birgitte; Jørgensen, Ulrik

    2013-01-01

    resources. Because Greenland, as other Arctic regions, are structured in relatively isolated island economies with only modest trade between the settlements and no possibility of commuting, a number of settlements are left without substantial industrial base. Administration of the settlement becomes...... the main occupation and the societies face growing unemployment and widespread social problems. Mineral extraction is seen as a key to overcome the economic challenges. Few mineral resources are located in proximity to existing settlements. Most mining companies set the stage for a quick extraction...... also for the surrounding community. The paper explores if a different and long-term organisation of exploitation of mineral resources with establishment of flexible settlements creates an attractive and sustainable alternative with a reasonable population and economic diversity....

  15. The cryptomonad histone H4-encoding gene: structure and chromosomal localization.

    Science.gov (United States)

    Müller, S B; Rensing, S A; Maier, U G

    1994-12-15

    Cryptomonads are unicellular flagellates whose plastids are surrounded by four membranes. A periplastidal compartment, containing eukaryote-type ribosomes, starch grains and a so-called nucleomorph, is located between the inner and outer membrane pairs. The nucleomorph has been shown to be the vestigial nucleus of a eukaryotic endosymbiont. In order to obtain more information about the chromatin structure of the nucleomorph and the host nuclear chromosomes, we studied the distribution of the histone, H4. H4 was not detectable in the nucleomorph by immunolocalization, thus supporting earlier findings by Gibbs [In: Wiesner et al. (Eds.), Experimental Phycology 1, 1990, pp. 145-157]. Likewise, no H4 DNA was demonstrable in the nucleomorph by Southern hybridization. Sequence analysis, and Southern and Northern blot data of a cryptomonad gene, H4, indicate an intermediate position for these genes between animals and plants.

  16. Ion streaming instabilities in pair ion plasma and localized structure with non-thermal electrons

    Energy Technology Data Exchange (ETDEWEB)

    Khattak, M. Nasir; Qamar, A., E-mail: mnnasirphysics@gmail.com [Department of Physics, University of Peshawar (Pakistan); Mushtaq, A. [Department of Physics, Abdul Wali Khan University Mardan, National Center for Physics, Mardan (Pakistan)

    2015-12-15

    Pair ion plasma with a fraction of non-thermal electrons is considered. We investigate the effects of the streaming motion of ions on linear and nonlinear properties of unmagnetized, collisionless plasma by using the fluid model. A dispersion relation is derived, and the growth rate of streaming instabilities with effect of streaming motion of ions and non-thermal electrons is calculated. A quasi-potential approach is adopted to study the characteristics of ion acoustic solitons. An energy integral equation involving Sagdeev potential is derived during this process. The presence of the streaming term in the energy integral equation affects the structure of the solitary waves significantly along with non-thermal electrons. Possible application of the work to the space and laboratory plasmas are highlighted. (author)

  17. Influence of the local structure in phase-change materials on their dielectric permittivity.

    Science.gov (United States)

    Shportko, Kostiantyn V; Venger, Eugen F

    2015-01-01

    Ge-Sb-Te alloys, which belong to the phase-change materials, are promising materials for data storage and display and data visualization applications due to their unique properties. This includes a remarkable difference of their electrical and optical properties in the amorphous and crystalline state. Pronounced change of optical properties for Ge-Sb-Te alloys is linked to the different bonding types and different atomic arrangements in amorphous and crystalline states. The dielectric function of phase-change materials has been investigated in the far infrared (FIR) range. Phonons have been detected by FTIR spectroscopy. Difference of the dispersion of the dielectric permittivity of amorphous and crystalline samples is caused by different structures in different states which contribute to the dielectric permittivity.

  18. Functional community structure of African monodominantGilbertiodendron dewevreiforest influenced by local environmental filtering.

    Science.gov (United States)

    Kearsley, Elizabeth; Verbeeck, Hans; Hufkens, Koen; Van de Perre, Frederik; Doetterl, Sebastian; Baert, Geert; Beeckman, Hans; Boeckx, Pascal; Huygens, Dries

    2017-01-01

    Monodominant patches of forest dominated by Gilbertiodendron dewevrei are commonly found in central African tropical forests, alongside forests with high species diversity. Although these forests are generally found sparsely distributed along rivers, their occurrence is not thought to be (clearly) driven by edaphic conditions but rather by trait combinations of G. dewevrei that aid in achieving monodominance. Functional community structure between these monodominant and mixed forests has, however, not yet been compared. Additionally, little is known about nondominant species in the monodominant forest community. These two topics are addressed in this study. We investigate the functional community structure of 10 one-hectare plots of monodominant and mixed forests in a central region of the Congo basin, in DR Congo. Thirteen leaf and wood traits are measured, covering 95% (basal area weighted) of all species present in the plots, including leaf nutrient contents, leaf isotopic compositions, specific leaf area, wood density, and vessel anatomy. The trait-based assessment of G. dewevrei shows an ensemble of traits related to water use and transport that could be favorable for its location near forest rivers. Moreover, indications have been found for N and P limitations in the monodominant forest, possibly related to ectomycorrhizal associations formed with G. dewevrei . Reduced leaf N and P contents are found at the community level for the monodominant forest and for different nondominant groups, as compared to those in the mixed forest. In summary, this work shows that environmental filtering does prevail in the monodominant G. dewevrei forest, leading to lower functional diversity in this forest type, with the dominant species showing beneficial traits related to its common riverine locations and with reduced soil N and P availability found in this environment, both coregulating the tree community assembly.

  19. Reduced-order computational model in nonlinear structural dynamics for structures having numerous local elastic modes in the low-frequency range. Application to fuel assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Batou, A., E-mail: anas.batou@univ-paris-est.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallee (France); Soize, C., E-mail: christian.soize@univ-paris-est.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallee (France); Brie, N., E-mail: nicolas.brie@edf.fr [EDF R and D, Département AMA, 1 avenue du général De Gaulle, 92140 Clamart (France)

    2013-09-15

    Highlights: • A ROM of a nonlinear dynamical structure is built with a global displacements basis. • The reduced order model of fuel assemblies is accurate and of very small size. • The shocks between grids of a row of seven fuel assemblies are computed. -- Abstract: We are interested in the construction of a reduced-order computational model for nonlinear complex dynamical structures which are characterized by the presence of numerous local elastic modes in the low-frequency band. This high modal density makes the use of the classical modal analysis method not suitable. Therefore the reduced-order computational model is constructed using a basis of a space of global displacements, which is constructed a priori and which allows the nonlinear dynamical response of the structure observed on the stiff part to be predicted with a good accuracy. The methodology is applied to a complex industrial structure which is made up of a row of seven fuel assemblies with possibility of collisions between grids and which is submitted to a seismic loading.

  20. Operando X-ray spectroscopic observations of modulations of local atomic and electronic structures of color switching smart film.

    Science.gov (United States)

    Lu, Ying-Rui; Wu, Tzung-Zing; Chang, Han-Wei; Chen, Jeng-Lung; Chen, Chi-Liang; Wei, Da-Hau; Chen, Jin-Ming; Chou, Wu-Ching; Dong, Chung-Li

    2017-06-07

    Smart windows, which change color in response to external stimuli, are extensively studied owing to their potential technological applications in sensors and their ability to reduce the energy consumed by buildings. Most related studies focus on the optical properties of smart color switching films that can control the transmission of light and that of heat independently. This study examines the vanadium pentoxide thin film as a model system of a color switchable window. A gasochromic thin film of V2O5 is fabricated using sol-gel spin coating. In operando soft X-ray absorption spectroscopy (XAS) at the V L-edge is used to determine the evolutions of the electronic and atomic structures of V2O5 thin film under gasochromic color switching. Analysis of the V K-edge with respect to crystalline structural symmetry and valence requires many reference samples, whereas the V L-edge, which involves V 3d orbitals of various symmetries, can provide information about the atomic/electronic structures without many reference samples. A new gas reaction in situ cell was developed to collect the total-electron-yield XAS. The total-electron-yield signal can provide more accurate information about atomic and electronic structures than can the fluorescence-yield signal, which typically exerts a saturation effect. Analytical results reveal that the gasochromic reaction changes the charge state and causes a local atomic structural deformation of the film. The suggestion has been made that in the reaction, the central vanadium atom within the octahedron moves closer to the basal plane such that the apical V-O bond becomes more symmetrical than the film before gasochromic coloration. Unlike the cell that is used for hard XAS, and for which only cation sites can be studied, this in situ gas cell enables the real-time studies of atomic/electronic structures at gas-solid interfaces from viewpoints of both cation and anion sites.

  1. Combining Low Temperature Fluorescence DNA-Hybridization, Immunostaining, and Super-Resolution Localization Microscopy for Nano-Structure Analysis of ALU Elements and Their Influence on Chromatin Structure.

    Science.gov (United States)

    Krufczik, Matthias; Sievers, Aaron; Hausmann, Annkathrin; Lee, Jin-Ho; Hildenbrand, Georg; Schaufler, Wladimir; Hausmann, Michael

    2017-05-07

    Immunostaining and fluorescence in situ hybridization (FISH) are well established methods for specific labelling of chromatin in the cell nucleus. COMBO-FISH (combinatorial oligonucleotide fluorescence in situ hybridization) is a FISH method using computer designed oligonucleotide probes specifically co-localizing at given target sites. In combination with super resolution microscopy which achieves spatial resolution far beyond the Abbe Limit, it allows new insights into the nano-scaled structure and organization of the chromatin of the nucleus. To avoid nano-structural changes of the chromatin, the COMBO-FISH labelling protocol was optimized omitting heat treatment for denaturation of the target. As an example, this protocol was applied to ALU elements-dispersed short stretches of DNA which appear in different kinds in large numbers in primate genomes. These ALU elements seem to be involved in gene regulation, genomic diversity, disease induction, DNA repair, etc. By computer search, we developed a unique COMBO-FISH probe which specifically binds to ALU consensus elements and combined this DNA-DNA labelling procedure with heterochromatin immunostainings in formaldehyde-fixed cell specimens. By localization microscopy, the chromatin network-like arrangements of ALU oligonucleotide repeats and heterochromatin antibody labelling sites were simultaneously visualized and quantified. This novel approach which simultaneously combines COMBO-FISH and immunostaining was applied to chromatin analysis on the nanoscale after low-linear-energy-transfer (LET) radiation exposure at different doses. Dose-correlated curves were obtained from the amount of ALU representing signals, and the chromatin re-arrangements during DNA repair after irradiation were quantitatively studied on the nano-scale. Beyond applications in radiation research, the labelling strategy of immunostaining and COMBO-FISH with localization microscopy will also offer new potentials for analyses of subcellular

  2. Role of the local structure in superconductivity of LaO0.5F0.5BiS2-x Se x system

    Science.gov (United States)

    Paris, E.; Mizuguchi, Y.; Hacisalihoglu, M. Y.; Hiroi, T.; Joseph, B.; Aquilanti, G.; Miura, O.; Mizokawa, T.; Saini, N. L.

    2017-04-01

    We have studied the local structure of LaO0.5F0.5BiS2-x Se x by Bi L1-edge extended x-ray absorption fine structure (EXAFS). We find a significant effect of Se substitution on the local atomic correlations with a gradual elongation of average in-plane Bi-S bondlength. The associated mean square relative displacement, measuring average local distortions in the BiS2 plane, hardly shows any change for small Se substitution, but decreases significantly for x≥slant 0.6 . The Se substitution appears to suppress the local distortions within the BiS2 plane that may optimize in-plane orbital hybridization and hence the superconductivity. The results suggest that the local structure of the BiS2-layer is one of the key ingredients to control the physical properties of the BiS2-based dichalcogenides.

  3. Structural Analysis of the Exhumed SEMP Fault Zone, Austria: Towards an Understanding of the Mechanics of Shear Zone Localization

    Science.gov (United States)

    Frost, E. K.; Dolan, J. F.; Sammis, C. G.; Hacker, B.; Ratschbacher, L.; Decker, K.; Cole, J.

    2007-12-01

    One of the most exciting frontiers in earthquake science is the linkage between the internal structure and mechanical behavior of fault zones. Little is known about how fault-zone structure varies as a function of depth, yet such understanding is vital if we are to understand the mechanical instabilities that control the nucleation and propagation of seismic ruptures. This has led us to the Oligo-Miocene Salzach-Ennstal-Mariazell-Puchberg [SEMP] fault zone in Austria, a major left-lateral strike-slip fault that has been exhumed differentially such that it exposes a continuum of structural levels along strike. In order to establish the structure of this fault zone, we are studying outcrops at a variety of exhumation levels, from <1 km near the eastern end of the fault, downward through the seismogenic crust, across the brittle- ductile transition, and into the uppermost part of the lower crust in western Austria. Here we present new results and discuss the mechanical implications of these new data from two key outcrops at Gstatterboden and Taxenbach, where the SEMP has experienced 40-60 km of displacement. The outcrop at Gstatterboden has been exhumed from 2-3 km depth. Here the SEMP juxtaposes limestone of the Wettersteinkalk on the south with dolomite of the Ramsaudolomit on the north. Faulting has produced extremely asymmetric damage, extensively shattering and shearing the dolomite while leaving the limestone largely intact. We interpret this brittle damage using both mesoscopic calculations of damage intensity and microscopic grain size distribution analysis, which suggests that shear has localized to a zone approximately 10 m wide. These findings are compared to the brittle-ductile outcrop at Taxenbach, which has been exhumed from depths of up to 10 km. Here, the SEMP juxtaposes Greywacke Zone rocks with carbonate mylonites of the Klammkalk. Microstructural observations of grain size and lattice preferred orientation suggest a marked increase in strain within

  4. Structural localization and origin of compartmentalized fluid flow, Comstock lode, Virginia City, Nevada

    Science.gov (United States)

    Berger, B.R.; Tingley, J.V.; Drew, L.J.

    2003-01-01

    Bonanza-grade orebodies in epithermal-style mineral deposits characteristically occur as discrete zones within spatially more extensive fault and/or fracture systems. Empirically, the segregation of such systems into compartments of higher and lower permeability appears to be a key process necessary for high-grade ore formation and, most commonly, it is such concentrations of metals that make an epithermal vein district world class. In the world-class silver- and gold-producing Comstock mining district, Nevada, several lines of evidence lead to the conclusion that the Comstock lode is localized in an extensional stepover between right-lateral fault zones. This evidence includes fault geometries, kinematic indicators of slip, the hydraulic connectivity of faults as demonstrated by veins and dikes along faults, and the opening of a normal-fault-bounded, asymmetric basin between two parallel and overlapping northwest-striking, lateral- to lateral-oblique-slip fault zones. During basin opening, thick, generally subeconomic, banded quartz-adularia veins were deposited in the normal fault zone, the Comstock fault, and along one of the bounding lateral fault zones, the Silver City fault. As deformation continued, the intrusion of dikes and small plugs into the hanging wall of the Comstock fault zone may have impeded the ability of the stepover to accommodate displacement on the bounding strike-slip faults through extension within the stepover. A transient period of transpressional deformation of the Comstock fault zone ensued, and the early-stage veins were deformed through boudinaging and hydraulic fragmentation, fault-motion inversion, and high- and low-angle axial rotations of segments of the fault planes and some fault-bounded wedges. This deformation led to the formation of spatially restricted compartments of high vertical permeability and hydraulic connectivity and low lateral hydraulic connectivity. Bonanza orebodies were formed in the compartmentalized zones of

  5. Localized surface plasmon resonance induced structure-property relationships of metal nanostructures

    Science.gov (United States)

    Vilayurganapathy, Subramanian

    The confluence of nanotechnology and plasmonics has led to new and interesting phenomena. The industrial need for fast, efficient and miniature devices which constantly push the boundaries on device performance tap into the happy marriage between these diverse fields. Designing devices for real life application that give superior performance when compared with existing ones are enabled by a better understanding of their structure-property relationships. Among all the design constraints, without doubt, the shape and size of the nanostructure along with the dielectric medium surrounding it has the maximum influence on the response and thereby the performance of the device. Hence a careful study of the above mentioned parameters is of utmost importance in designing efficient devices. In this dissertation, we synthesize and study the optical properties of nanostructures of different shapes and size. In particular, we estimated the plasmonic near field enhancement via surface-enhanced Raman scattering (SERS) and 2-photon Photoemission electron microscopy (2P-PEEM). We synthesized the nanostructures using four different techniques. One synthesis technique, the thermal growth method was employed to grow interesting Ag and Au nanostructures on Si. The absence of toxic chemicals during nanostructure synthesis via the thermal growth technique opens up myriad possibilities for applications in the fields of biomedical science, bioengineering, drug delivery among others along with the huge advantage of being environment friendly. The other three synthesis techniques (ion implantation, Electrodeposition and FIB lithography) were chosen with the specific goal of designing novel plasmonic metal, metal hybrid nanostructures as photocathode materials in next generation light sources. The synthesis techniques for these novel nanostructures were dictated by the requirement of high quantum efficiency, robustness under constant irradiation and coherent unidirectional electron emission

  6. New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics.

    Science.gov (United States)

    Ferreira, Elisabete S C; Voroshylova, Iuliia V; Koverga, Volodymyr A; Pereira, Carlos M; Cordeiro, M Natália D S

    2017-12-07

    In this work we developed a new force field model (FFM) for propylene glycol (PG) based on the OPLS all-atom potential. The OPLS potential was refined using quantum chemical calculations, taking into account the densities and self-diffusion coefficients. The validation of this new FFM was carried out based on a wide range of physicochemical properties, such as density, enthalpy of vaporization, self-diffusion coefficients, isothermal compressibility, surface tension, and shear viscosity. The molecular dynamics (MD) simulations were performed over a large range of temperatures (293.15-373.15 K). The comparison with other force field models, such as OPLS, CHARMM27, and GAFF, revealed a large improvement of the results, allowing a better agreement with experimental data. Specific structural properties (radial distribution functions, hydrogen bonding and spatial distribution functions) were then analyzed in order to support the adequacy of the proposed FFM. Pure propylene glycol forms a continuous phase, displaying no microstructures. It is shown that the developed FFM gives rise to suitable results not only for pure propylene glycol but also for mixtures by testing its behavior for a 50 mol % aqueous propylene glycol solution. Furthermore, it is demonstrated that the addition of water to the PG phase produces a homogeneous solution and that the hydration interactions prevail over the propylene glycol self-association interactions.

  7. Localisation of local nonlinearities in structural dynamics using spatially incomplete measured data

    Science.gov (United States)

    Wang, Xing; Khodaparast, Hamed Haddad; Shaw, Alexander D.; Friswell, Michael I.; Zheng, Gangtie

    2018-01-01

    This paper presents a procedure to localise nonlinear elements using spatially incomplete measured frequency response data from the structural vibration test. The method does not require measurements of all the responses associated with nonlinear elements and the information about the types of nonlinear elements. In this procedure, the Craig-Bampton reduction method is employed to reduce the dynamic equation onto the measured region and to project the nonlinear forces onto the measured degrees of freedom (DOFs), which are then called reduced nonlinear forces (RNFs). It is shown that the reduced nonlinear forces are the sum of the measured nonlinear forces and the projections of the unmeasured nonlinear forces through the transpose of linear constraint modes. Therefore, by analysing and comparing the magnitude of the reduced nonlinear forces obtained from experiments with the linear constraint modes, we can localise the nonlinear elements without directly measuring their responses. Numerical simulations of a discrete system with two nonlinearities and experimental data from a clamped beam with a nonlinear connection are used to validate the localisation procedure.

  8. A microsatellites-based survey on the genetic structure of two Italian local chicken breeds

    Directory of Open Access Journals (Sweden)

    Cecilia Mugnai

    2011-07-01

    Full Text Available The biodiversity safeguard is an important goal of poultry production in every developed country. Nowadays, the high chicken meat demand from the world market has been leading to a large spread of strongly producing commercial chicken lines. The creation of these standard types is causing a progressive loss of genetic variability. Ancona and Livorno are two Italian autochthonous chicken breeds which represent a great resource in terms of specific genetic richness. Aim of this study is to investigate the genetic diversity of these breeds as potential valuable genetic variability source. In fact, in spite of their endangered status, these chicken breeds are very appreciated for their ability to adapt themselves to extensive organic rearing systems. Blood samples from 131 individuals were collected and genotyped through a thirty microsatellites-based analysis. All the observed descriptive statistical indexes suggested a heterozygosity deficiency and an inbreeding level (mean observed heterozygosity = 0.46, mean expected heterozygosity = 0.53, Fis in Ancona and Livorno = 0.251 and 0.086. The tree from inter-individual DAS distance using Neighbour-Joining algorithm and the FCA analysis showed a higher internal variability in Livorno than in Ancona. STRUCTURE analysis showed the genetic uniqueness of the breeds and the presence of sub-groups in Ancona originating from a possible genetic isolation. This research could be a suitable starting point to set up improved selection schemes and a potential preliminary genotypic test for all the cocks to be used in the selection.

  9. Bright-field Nanoscopy: Visualizing Nano-structures with Localized Optical Contrast Using a Conventional Microscope.