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Sample records for alignment-free local structural

  1. An effective sequence-alignment-free superpositioning of pairwise or multiple structures with missing data.

    Science.gov (United States)

    Lu, Jianbo; Xu, Guoliang; Zhang, Shihua; Lu, Benzhuo

    2016-01-01

    Superpositioning is an important problem in structural biology. Determining an optimal superposition requires a one-to-one correspondence between the atoms of two proteins structures. However, in practice, some atoms are missing from their original structures. Current superposition implementations address the missing data crudely by ignoring such atoms from their structures. In this paper, we propose an effective method for superpositioning pairwise and multiple structures without sequence alignment. It is a two-stage procedure including data reduction and data registration. Numerical experiments demonstrated that our method is effective and efficient. The code package of protein structure superposition method for addressing the cases with missing data is implemented by MATLAB, and it is freely available from: http://sourceforge.net/projects/pssm123/files/?source=navbar.

  2. Bloom Filter Trie: an alignment-free and reference-free data structure for pan-genome storage.

    Science.gov (United States)

    Holley, Guillaume; Wittler, Roland; Stoye, Jens

    2016-01-01

    High throughput sequencing technologies have become fast and cheap in the past years. As a result, large-scale projects started to sequence tens to several thousands of genomes per species, producing a high number of sequences sampled from each genome. Such a highly redundant collection of very similar sequences is called a pan-genome. It can be transformed into a set of sequences "colored" by the genomes to which they belong. A colored de Bruijn graph (C-DBG) extracts from the sequences all colored k-mers, strings of length k, and stores them in vertices. In this paper, we present an alignment-free, reference-free and incremental data structure for storing a pan-genome as a C-DBG: the bloom filter trie (BFT). The data structure allows to store and compress a set of colored k-mers, and also to efficiently traverse the graph. Bloom filter trie was used to index and query different pangenome datasets. Compared to another state-of-the-art data structure, BFT was up to two times faster to build while using about the same amount of main memory. For querying k-mers, BFT was about 52-66 times faster while using about 5.5-14.3 times less memory. We present a novel succinct data structure called the Bloom Filter Trie for indexing a pan-genome as a colored de Bruijn graph. The trie stores k-mers and their colors based on a new representation of vertices that compress and index shared substrings. Vertices use basic data structures for lightweight substrings storage as well as Bloom filters for efficient trie and graph traversals. Experimental results prove better performance compared to another state-of-the-art data structure. https://www.github.com/GuillaumeHolley/BloomFilterTrie.

  3. Alignment-free comparative genomic screen for structured RNAs using coarse-grained secondary structure dot plots

    DEFF Research Database (Denmark)

    Kato, Yuki; Gorodkin, Jan; Havgaard, Jakob Hull

    2017-01-01

    . Methods: Here we present a fast and efficient method, DotcodeR, for detecting structurally similar RNAs in genomic sequences by comparing their corresponding coarse-grained secondary structure dot plots at string level. This allows us to perform an all-against-all scan of all window pairs from two genomes...... without alignment. Results: Our computational experiments with simulated data and real chromosomes demonstrate that the presented method has good sensitivity. Conclusions: DotcodeR can be useful as a pre-filter in a genomic comparative scan for structured RNAs....

  4. Phylogenic inference using alignment-free methods for applications in microbial community surveys using 16s rRNA gene.

    Directory of Open Access Journals (Sweden)

    Yifei Zhang

    Full Text Available The diversity of microbiota is best explored by understanding the phylogenetic structure of the microbial communities. Traditionally, sequence alignment has been used for phylogenetic inference. However, alignment-based approaches come with significant challenges and limitations when massive amounts of data are analyzed. In the recent decade, alignment-free approaches have enabled genome-scale phylogenetic inference. Here we evaluate three alignment-free methods: ACS, CVTree, and Kr for phylogenetic inference with 16s rRNA gene data. We use a taxonomic gold standard to compare the accuracy of alignment-free phylogenetic inference with that of common microbiome-wide phylogenetic inference pipelines based on PyNAST and MUSCLE alignments with FastTree and RAxML. We re-simulate fecal communities from Human Microbiome Project data to evaluate the performance of the methods on datasets with properties of real data. Our comparisons show that alignment-free methods are not inferior to alignment-based methods in giving accurate and robust phylogenic trees. Moreover, consensus ensembles of alignment-free phylogenies are superior to those built from alignment-based methods in their ability to highlight community differences in low power settings. In addition, the overall running times of alignment-based and alignment-free phylogenetic inference are comparable. Taken together our empirical results suggest that alignment-free methods provide a viable approach for microbiome-wide phylogenetic inference.

  5. Applications of alignment-free methods in epigenomics.

    Science.gov (United States)

    Pinello, Luca; Lo Bosco, Giosuè; Yuan, Guo-Cheng

    2014-05-01

    Epigenetic mechanisms play an important role in the regulation of cell type-specific gene activities, yet how epigenetic patterns are established and maintained remains poorly understood. Recent studies have supported a role of DNA sequences in recruitment of epigenetic regulators. Alignment-free methods have been applied to identify distinct sequence features that are associated with epigenetic patterns and to predict epigenomic profiles. Here, we review recent advances in such applications, including the methods to map DNA sequence to feature space, sequence comparison and prediction models. Computational studies using these methods have provided important insights into the epigenetic regulatory mechanisms.

  6. Sequence comparison alignment-free approach based on suffix tree and L-words frequency.

    Science.gov (United States)

    Soares, Inês; Goios, Ana; Amorim, António

    2012-01-01

    The vast majority of methods available for sequence comparison rely on a first sequence alignment step, which requires a number of assumptions on evolutionary history and is sometimes very difficult or impossible to perform due to the abundance of gaps (insertions/deletions). In such cases, an alternative alignment-free method would prove valuable. Our method starts by a computation of a generalized suffix tree of all sequences, which is completed in linear time. Using this tree, the frequency of all possible words with a preset length L-L-words--in each sequence is rapidly calculated. Based on the L-words frequency profile of each sequence, a pairwise standard Euclidean distance is then computed producing a symmetric genetic distance matrix, which can be used to generate a neighbor joining dendrogram or a multidimensional scaling graph. We present an improvement to word counting alignment-free approaches for sequence comparison, by determining a single optimal word length and combining suffix tree structures to the word counting tasks. Our approach is, thus, a fast and simple application that proved to be efficient and powerful when applied to mitochondrial genomes. The algorithm was implemented in Python language and is freely available on the web.

  7. Sequence Comparison Alignment-Free Approach Based on Suffix Tree and L-Words Frequency

    Directory of Open Access Journals (Sweden)

    Inês Soares

    2012-01-01

    Full Text Available The vast majority of methods available for sequence comparison rely on a first sequence alignment step, which requires a number of assumptions on evolutionary history and is sometimes very difficult or impossible to perform due to the abundance of gaps (insertions/deletions. In such cases, an alternative alignment-free method would prove valuable. Our method starts by a computation of a generalized suffix tree of all sequences, which is completed in linear time. Using this tree, the frequency of all possible words with a preset length L—L-words—in each sequence is rapidly calculated. Based on the L-words frequency profile of each sequence, a pairwise standard Euclidean distance is then computed producing a symmetric genetic distance matrix, which can be used to generate a neighbor joining dendrogram or a multidimensional scaling graph. We present an improvement to word counting alignment-free approaches for sequence comparison, by determining a single optimal word length and combining suffix tree structures to the word counting tasks. Our approach is, thus, a fast and simple application that proved to be efficient and powerful when applied to mitochondrial genomes. The algorithm was implemented in Python language and is freely available on the web.

  8. Alignment-free phylogeny of whole genomes using underlying subwords

    Directory of Open Access Journals (Sweden)

    Comin Matteo

    2012-12-01

    Full Text Available Abstract Background With the progress of modern sequencing technologies a large number of complete genomes are now available. Traditionally the comparison of two related genomes is carried out by sequence alignment. There are cases where these techniques cannot be applied, for example if two genomes do not share the same set of genes, or if they are not alignable to each other due to low sequence similarity, rearrangements and inversions, or more specifically to their lengths when the organisms belong to different species. For these cases the comparison of complete genomes can be carried out only with ad hoc methods that are usually called alignment-free methods. Methods In this paper we propose a distance function based on subword compositions called Underlying Approach (UA. We prove that the matching statistics, a popular concept in the field of string algorithms able to capture the statistics of common words between two sequences, can be derived from a small set of “independent” subwords, namely the irredundant common subwords. We define a distance-like measure based on these subwords, such that each region of genomes contributes only once, thus avoiding to count shared subwords a multiple number of times. In a nutshell, this filter discards subwords occurring in regions covered by other more significant subwords. Results The Underlying Approach (UA builds a scoring function based on this set of patterns, called underlying. We prove that this set is by construction linear in the size of input, without overlaps, and can be efficiently constructed. Results show the validity of our method in the reconstruction of phylogenetic trees, where the Underlying Approach outperforms the current state of the art methods. Moreover, we show that the accuracy of UA is achieved with a very small number of subwords, which in some cases carry meaningful biological information. Availability http://www.dei.unipd.it/∼ciompin/main/underlying.html

  9. Background Adjusted Alignment-Free Dissimilarity Measures Improve the Detection of Horizontal Gene Transfer

    Directory of Open Access Journals (Sweden)

    Kujin Tang

    2018-04-01

    Full Text Available Horizontal gene transfer (HGT plays an important role in the evolution of microbial organisms including bacteria. Alignment-free methods based on single genome compositional information have been used to detect HGT. Currently, Manhattan and Euclidean distances based on tetranucleotide frequencies are the most commonly used alignment-free dissimilarity measures to detect HGT. By testing on simulated bacterial sequences and real data sets with known horizontal transferred genomic regions, we found that more advanced alignment-free dissimilarity measures such as CVTree and d2* that take into account the background Markov sequences can solve HGT detection problems with significantly improved performance. We also studied the influence of different factors such as evolutionary distance between host and donor sequences, size of sliding window, and host genome composition on the performances of alignment-free methods to detect HGT. Our study showed that alignment-free methods can predict HGT accurately when host and donor genomes are in different order levels. Among all methods, CVTree with word length of 3, d2* with word length 3, Markov order 1 and d2* with word length 4, Markov order 1 outperform others in terms of their highest F1-score and their robustness under the influence of different factors.

  10. Density estimation from local structure

    CSIR Research Space (South Africa)

    Van der Walt, Christiaan M

    2009-11-01

    Full Text Available The authors propose a hyper-ellipsoid clustering algorithm that grows clusters from local structures in a dataset and estimates the underlying geometrical structure of data with a set of hyper-ellipsoids. The clusters are used to estimate a Gaussian...

  11. Phylogeny Reconstruction with Alignment-Free Method That Corrects for Horizontal Gene Transfer.

    Directory of Open Access Journals (Sweden)

    Raquel Bromberg

    2016-06-01

    Full Text Available Advances in sequencing have generated a large number of complete genomes. Traditionally, phylogenetic analysis relies on alignments of orthologs, but defining orthologs and separating them from paralogs is a complex task that may not always be suited to the large datasets of the future. An alternative to traditional, alignment-based approaches are whole-genome, alignment-free methods. These methods are scalable and require minimal manual intervention. We developed SlopeTree, a new alignment-free method that estimates evolutionary distances by measuring the decay of exact substring matches as a function of match length. SlopeTree corrects for horizontal gene transfer, for composition variation and low complexity sequences, and for branch-length nonlinearity caused by multiple mutations at the same site. We tested SlopeTree on 495 bacteria, 73 archaea, and 72 strains of Escherichia coli and Shigella. We compared our trees to the NCBI taxonomy, to trees based on concatenated alignments, and to trees produced by other alignment-free methods. The results were consistent with current knowledge about prokaryotic evolution. We assessed differences in tree topology over different methods and settings and found that the majority of bacteria and archaea have a core set of proteins that evolves by descent. In trees built from complete genomes rather than sets of core genes, we observed some grouping by phenotype rather than phylogeny, for instance with a cluster of sulfur-reducing thermophilic bacteria coming together irrespective of their phyla. The source-code for SlopeTree is available at: http://prodata.swmed.edu/download/pub/slopetree_v1/slopetree.tar.gz.

  12. Phylogeny Reconstruction with Alignment-Free Method That Corrects for Horizontal Gene Transfer

    Science.gov (United States)

    Grishin, Nick V.; Otwinowski, Zbyszek

    2016-01-01

    Advances in sequencing have generated a large number of complete genomes. Traditionally, phylogenetic analysis relies on alignments of orthologs, but defining orthologs and separating them from paralogs is a complex task that may not always be suited to the large datasets of the future. An alternative to traditional, alignment-based approaches are whole-genome, alignment-free methods. These methods are scalable and require minimal manual intervention. We developed SlopeTree, a new alignment-free method that estimates evolutionary distances by measuring the decay of exact substring matches as a function of match length. SlopeTree corrects for horizontal gene transfer, for composition variation and low complexity sequences, and for branch-length nonlinearity caused by multiple mutations at the same site. We tested SlopeTree on 495 bacteria, 73 archaea, and 72 strains of Escherichia coli and Shigella. We compared our trees to the NCBI taxonomy, to trees based on concatenated alignments, and to trees produced by other alignment-free methods. The results were consistent with current knowledge about prokaryotic evolution. We assessed differences in tree topology over different methods and settings and found that the majority of bacteria and archaea have a core set of proteins that evolves by descent. In trees built from complete genomes rather than sets of core genes, we observed some grouping by phenotype rather than phylogeny, for instance with a cluster of sulfur-reducing thermophilic bacteria coming together irrespective of their phyla. The source-code for SlopeTree is available at: http://prodata.swmed.edu/download/pub/slopetree_v1/slopetree.tar.gz. PMID:27336403

  13. Genomic signal processing methods for computation of alignment-free distances from DNA sequences.

    Science.gov (United States)

    Borrayo, Ernesto; Mendizabal-Ruiz, E Gerardo; Vélez-Pérez, Hugo; Romo-Vázquez, Rebeca; Mendizabal, Adriana P; Morales, J Alejandro

    2014-01-01

    Genomic signal processing (GSP) refers to the use of digital signal processing (DSP) tools for analyzing genomic data such as DNA sequences. A possible application of GSP that has not been fully explored is the computation of the distance between a pair of sequences. In this work we present GAFD, a novel GSP alignment-free distance computation method. We introduce a DNA sequence-to-signal mapping function based on the employment of doublet values, which increases the number of possible amplitude values for the generated signal. Additionally, we explore the use of three DSP distance metrics as descriptors for categorizing DNA signal fragments. Our results indicate the feasibility of employing GAFD for computing sequence distances and the use of descriptors for characterizing DNA fragments.

  14. 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.

  15. Local cohomology and superselection structure

    International Nuclear Information System (INIS)

    Roberts, J.E.

    1976-02-01

    A novel quantum analogue of the classical problem of cohomology incorporating locality is introduced and is shown to generate those superselection sectors whose charge can be strictly localized. In a 2-dimensional space-time there are further possibilities; in particular, soliton sectors can be generated by this procedure [fr

  16. RV-Typer: A Web Server for Typing of Rhinoviruses Using Alignment-Free Approach.

    Directory of Open Access Journals (Sweden)

    Pandurang S Kolekar

    Full Text Available Rhinoviruses (RV are increasingly being reported to cause mild to severe infections of respiratory tract in humans. RV are antigenically the most diverse species of the genus Enterovirus and family Picornaviridae. There are three species of RV (RV-A, -B and -C, with 80, 32 and 55 serotypes/types, respectively. Antigenic variation is the main limiting factor for development of a cross-protective vaccine against RV.Serotyping of Rhinoviruses is carried out using cross-neutralization assays in cell culture. However, these assays become laborious and time-consuming for the large number of strains. Alternatively, serotyping of RV is carried out by alignment-based phylogeny of both protein and nucleotide sequences of VP1. However, serotyping of RV based on alignment-based phylogeny is a multi-step process, which needs to be repeated every time a new isolate is sequenced. In view of the growing need for serotyping of RV, an alignment-free method based on "return time distribution" (RTD of amino acid residues in VP1 protein has been developed and implemented in the form of a web server titled RV-Typer. RV-Typer accepts nucleotide or protein sequences as an input and computes return times of di-peptides (k = 2 to assign serotypes. The RV-Typer performs with 100% sensitivity and specificity. It is significantly faster than alignment-based methods. The web server is available at http://bioinfo.net.in/RV-Typer/home.html.

  17. Alignment-free and high-frequency compensation in face hallucination.

    Science.gov (United States)

    Chen, Yen-Wei; Sasatani, So; Han, Xian-Hua

    2014-01-01

    Face hallucination is one of learning-based super resolution techniques, which is focused on resolution enhancement of facial images. Though face hallucination is a powerful and useful technique, some detailed high-frequency components cannot be recovered. It also needs accurate alignment between training samples. In this paper, we propose a high-frequency compensation framework based on residual images for face hallucination method in order to improve the reconstruction performance. The basic idea of proposed framework is to reconstruct or estimate a residual image, which can be used to compensate the high-frequency components of the reconstructed high-resolution image. Three approaches based on our proposed framework are proposed. We also propose a patch-based alignment-free face hallucination. In the patch-based face hallucination, we first segment facial images into overlapping patches and construct training patch pairs. For an input low-resolution (LR) image, the overlapping patches are also used to obtain the corresponding high-resolution (HR) patches by face hallucination. The whole HR image can then be reconstructed by combining all of the HR patches. Experimental results show that the high-resolution images obtained using our proposed approaches can improve the quality of those obtained by conventional face hallucination method even if the training data set is unaligned.

  18. Local product structure for expansive homeomorphisms

    OpenAIRE

    Artigue, Alfonso; Brum, Joaquin; Potrie, Rafael

    2008-01-01

    Let $f\\colon M\\to M$ be an expansive homeomorphism with dense topologically hyperbolic periodic points, $M$ a compact manifold. Then there is a local product structure in an open and dense subset of $M$. Moreover, if some topologically hyperbolic periodic point has codimension one, then this local product structure is uniform. In particular, we conclude that the homeomorphism is conjugated to a linear Anosov diffeomorphism of a torus.

  19. Planar solar concentrator featuring alignment-free total-internal-reflection collectors and an innovative compound tracker.

    Science.gov (United States)

    Teng, Tun-Chien; Lai, Wei-Che

    2014-12-15

    This study proposed a planar solar concentrator featuring alignment-free total-internal-reflection (TIR) collectors and an innovative compound tracker. The compound tracker, combining a mechanical single-axis tracker and scrollable prism sheets, can achieve a performance on a par with dual-axis tracking while reducing the cost of the tracking system and increasing its robustness. The alignment-free TIR collectors are assembled on the waveguide without requiring alignment, so the planar concentrator is relatively easily manufactured and markedly increases the feasibility for use in large concentrators. Further, the identical TIR collector is applicable to various-sized waveguide slab without requiring modification, which facilitates flexibility regarding the size of the waveguide slab. In the simulation model, the thickness of the slab was 2 mm, and its maximal length reached 6 m. With an average angular tolerance of ±0.6°, and after considering both the Fresnel loss and the angular spread of the sun, the simulation indicates that the waveguide concentrator of a 1000-mm length provides the optical efficiencies of 62-77% at the irradiance concentrations of 387-688, and the one of a 2000-mm length provides the optical efficiencies of 52-64.5% at the irradiance concentrations of 645-1148. Alternatively, if a 100-mm horizontally staggered waveguide slab is collocated with the alignment-free TIR collectors, the optical efficiency would be greatly improved up to 91.5% at an irradiance concentration of 1098 (C(geo) = 1200X).

  20. Synthesis and assessment methods for an edge-alignment-free hybrid image

    Science.gov (United States)

    Sripian, Peeraya; Yamaguchi, Yasushi

    2017-07-01

    A hybrid image allows multiple image interpretations to be modulated by the viewing distance. It can be constructed on the basis of the multiscale perceptual mechanisms of the human visual system by combining the low and high spatial frequencies of two different images. The hybrid image was introduced as an experimental tool for visual recognition study in terms of spatial frequency perception. To produce a compelling hybrid image, the original hybrid image synthesis method could only use similar shapes of source images that were aligned in the edges. If any two different images can be hybrid, it would be beneficial as a new experimental tool. In addition, there is no measure for the actual perception of spatial frequency, whether a single spatial frequency or both spatial frequencies are perceived from the hybrid stimulus. This paper describes two methods for synthesizing a hybrid image from dissimilar shape images or unaligned images; this hybrid image is known as an "edge-alignment-free hybrid image." A noise-inserted method can be done by intentionally inserting and enhancing noises into the high-frequency image. With this method, the low-frequency blobs are covered with high-frequency noises when viewed up close. A color-inserted method uses complementary color gratings in the background of the high-frequency image to emphasize the high-frequency image when viewed up close, whereas the gratings disappear when viewed from far away. To ascertain that our approach successfully separates the spatial frequency at each viewing distance, we measured this property using our proposed assessment method. Our proposed method allows the experimenter to quantify the probability of perceiving both spatial frequencies and a single spatial frequency in a hybrid image. The experimental results confirmed that our proposed synthesis methods successfully hid the low-frequency image and emphasized the high-frequency image at a close viewing distance. At the same time, the

  1. 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...

  2. Understanding water's anomalies with locally favoured structures.

    Science.gov (United States)

    Russo, John; Tanaka, Hajime

    2014-04-02

    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.

  3. 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.

  4. THE STRUCTURE OF THE LOCAL HOT BUBBLE

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.; Galeazzi, M.; Uprety, Y.; Ursino, E. [Department of Physics, University of Miami, Coral Gables, FL, 33124 (United States); Chiao, M.; Collier, M. R.; Porter, F. S.; Snowden, S. L.; Thomas, N. E. [NASA Goddard Space Flight Center, Greenbelt, MD, 20771 (United States); Cravens, T. [Department of Physics and Astronomy, University of Kansas, Lawrence, KS 66045 (United States); Koutroumpa, D. [Universite Versailles St-Quentin (France); Sorbonne Universites, UPMC Univ. Paris 06 (France); CNRS/INSU, LATMOS-IPSL, F-78280 (France); Kuntz, K. D. [The Henry A. Rowland Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Lallement, R. [GEPI Observatoire de Paris, CNRS, Universite Paris Diderot, F-92190, Meudon (France); Lepri, S. T. [Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); McCammon, D.; Morgan, K. [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Walsh, B. M., E-mail: galeazzi@physics.miami.edu [Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States)

    2017-01-01

    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.

  5. 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.

  6. 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.

  7. Shaped input distributions for structural damage localization

    DEFF Research Database (Denmark)

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

    2018-01-01

    ). 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 patterns......, resulting in a system identification-free procedure whose primary merits, besides avoiding the typical bottleneck of system identification, include a low demand on output sensors, robustness towards noise, and conceptual simplicity. The price paid for these merits is reliance on a relatively accurate model...... of the structure in its reference state and the need for multiple controllable inputs....

  8. Shaped input distributions for structural damage localization

    DEFF Research Database (Denmark)

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

    2018-01-01

    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...... patterns, which results in a system identification-free procedure whose primary merits, besides avoiding the typical bottleneck of system identification, include a low demand on output sensors, robustness towards noise, and conceptual simplicity. The applicability of the method is verified in the context...

  9. Structure of BRS-invariant local functionals

    International Nuclear Information System (INIS)

    Brandt, F.

    1993-01-01

    For a large class of gauge theories a nilpotent BRS-operator s is constructed and its cohomology in the space of local functionals of the off-shell fields is shown to be isomorphic to the cohomology of s=s+d on functions f(C,T) of tensor fields T and of variables C which are constructed of the ghosts and the connection forms. The result allows general statements about the structure of invariant classical actions and anomaly cadidates whose BRS-variation vanishes off-shell. The assumptions under which the result holds are thoroughly discussed. (orig.)

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

    African Journals Online (AJOL)

    Comment: Towards a Viable Local Government Structure in Nigeria: Overview of US and German Local Government Systems. ... The comment suggests a system that will be in tune with the Nigerian local milieu. Key terms: Local government, local administration, one-tier model, two-tier model, hybrid structure, Nigeria ...

  11. 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.

  12. 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

  13. 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...

  14. CVTree3 Web Server for Whole-genome-based and Alignment-free Prokaryotic Phylogeny and Taxonomy.

    Science.gov (United States)

    Zuo, Guanghong; Hao, Bailin

    2015-10-01

    A faithful phylogeny and an objective taxonomy for prokaryotes should agree with each other and ultimately follow the genome data. With the number of sequenced genomes reaching tens of thousands, both tree inference and detailed comparison with taxonomy are great challenges. We now provide one solution in the latest Release 3.0 of the alignment-free and whole-genome-based web server CVTree3. The server resides in a cluster of 64 cores and is equipped with an interactive, collapsible, and expandable tree display. It is capable of comparing the tree branching order with prokaryotic classification at all taxonomic ranks from domains down to species and strains. CVTree3 allows for inquiry by taxon names and trial on lineage modifications. In addition, it reports a summary of monophyletic and non-monophyletic taxa at all ranks as well as produces print-quality subtree figures. After giving an overview of retrospective verification of the CVTree approach, the power of the new server is described for the mega-classification of prokaryotes and determination of taxonomic placement of some newly-sequenced genomes. A few discrepancies between CVTree and 16S rRNA analyses are also summarized with regard to possible taxonomic revisions. CVTree3 is freely accessible to all users at http://tlife.fudan.edu.cn/cvtree3/ without login requirements. Copyright © 2015 The Authors. Production and hosting by Elsevier Ltd.. All rights reserved.

  15. CVTree3 Web Server for Whole-genome-based and Alignment-free Prokaryotic Phylogeny and Taxonomy

    Directory of Open Access Journals (Sweden)

    Guanghong Zuo

    2015-10-01

    Full Text Available A faithful phylogeny and an objective taxonomy for prokaryotes should agree with each other and ultimately follow the genome data. With the number of sequenced genomes reaching tens of thousands, both tree inference and detailed comparison with taxonomy are great challenges. We now provide one solution in the latest Release 3.0 of the alignment-free and whole-genome-based web server CVTree3. The server resides in a cluster of 64 cores and is equipped with an interactive, collapsible, and expandable tree display. It is capable of comparing the tree branching order with prokaryotic classification at all taxonomic ranks from domains down to species and strains. CVTree3 allows for inquiry by taxon names and trial on lineage modifications. In addition, it reports a summary of monophyletic and non-monophyletic taxa at all ranks as well as produces print-quality subtree figures. After giving an overview of retrospective verification of the CVTree approach, the power of the new server is described for the mega-classification of prokaryotes and determination of taxonomic placement of some newly-sequenced genomes. A few discrepancies between CVTree and 16S rRNA analyses are also summarized with regard to possible taxonomic revisions. CVTree3 is freely accessible to all users at http://tlife.fudan.edu.cn/cvtree3/ without login requirements.

  16. Community detection using global and local structural information

    Indian Academy of Sciences (India)

    ac.in/article/fulltext/pram/080/01/0173-0185 ... 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 ...

  17. GUTSS: An Alignment-Free Sequence Comparison Method for Use in Human Intestinal Microbiome and Fecal Microbiota Transplantation Analysis.

    Directory of Open Access Journals (Sweden)

    Mitchell J Brittnacher

    Full Text Available Comparative analysis of gut microbiomes in clinical studies of human diseases typically rely on identification and quantification of species or genes. In addition to exploring specific functional characteristics of the microbiome and potential significance of species diversity or expansion, microbiome similarity is also calculated to study change in response to therapies directed at altering the microbiome. Established ecological measures of similarity can be constructed from species abundances, however methods for calculating these commonly used ecological measures of similarity directly from whole genome shotgun (WGS metagenomic sequence are lacking.We present an alignment-free method for calculating similarity of WGS metagenomic sequences that is analogous to the Bray-Curtis index for species, implemented by the General Utility for Testing Sequence Similarity (GUTSS software application. This method was applied to intestinal microbiomes of healthy young children to measure developmental changes toward an adult microbiome during the first 3 years of life. We also calculate similarity of donor and recipient microbiomes to measure establishment, or engraftment, of donor microbiota in fecal microbiota transplantation (FMT studies focused on mild to moderate Crohn's disease. We show how a relative index of similarity to donor can be calculated as a measure of change in a patient's microbiome toward that of the donor in response to FMT.Because clinical efficacy of the transplant procedure cannot be fully evaluated without analysis methods to quantify actual FMT engraftment, we developed a method for detecting change in the gut microbiome that is independent of species identification and database bias, sensitive to changes in relative abundance of the microbial constituents, and can be formulated as an index for correlating engraftment success with clinical measures of disease. More generally, this method may be applied to clinical evaluation of

  18. GUTSS: An Alignment-Free Sequence Comparison Method for Use in Human Intestinal Microbiome and Fecal Microbiota Transplantation Analysis.

    Science.gov (United States)

    Brittnacher, Mitchell J; Heltshe, Sonya L; Hayden, Hillary S; Radey, Matthew C; Weiss, Eli J; Damman, Christopher J; Zisman, Timothy L; Suskind, David L; Miller, Samuel I

    2016-01-01

    Comparative analysis of gut microbiomes in clinical studies of human diseases typically rely on identification and quantification of species or genes. In addition to exploring specific functional characteristics of the microbiome and potential significance of species diversity or expansion, microbiome similarity is also calculated to study change in response to therapies directed at altering the microbiome. Established ecological measures of similarity can be constructed from species abundances, however methods for calculating these commonly used ecological measures of similarity directly from whole genome shotgun (WGS) metagenomic sequence are lacking. We present an alignment-free method for calculating similarity of WGS metagenomic sequences that is analogous to the Bray-Curtis index for species, implemented by the General Utility for Testing Sequence Similarity (GUTSS) software application. This method was applied to intestinal microbiomes of healthy young children to measure developmental changes toward an adult microbiome during the first 3 years of life. We also calculate similarity of donor and recipient microbiomes to measure establishment, or engraftment, of donor microbiota in fecal microbiota transplantation (FMT) studies focused on mild to moderate Crohn's disease. We show how a relative index of similarity to donor can be calculated as a measure of change in a patient's microbiome toward that of the donor in response to FMT. Because clinical efficacy of the transplant procedure cannot be fully evaluated without analysis methods to quantify actual FMT engraftment, we developed a method for detecting change in the gut microbiome that is independent of species identification and database bias, sensitive to changes in relative abundance of the microbial constituents, and can be formulated as an index for correlating engraftment success with clinical measures of disease. More generally, this method may be applied to clinical evaluation of human microbiomes

  19. Alignment-free design of highly discriminatory diagnostic primer sets for Escherichia coli O104:H4 outbreak strains.

    Science.gov (United States)

    Pritchard, Leighton; Holden, Nicola J; Bielaszewska, Martina; Karch, Helge; Toth, Ian K

    2012-01-01

    An Escherichia coli O104:H4 outbreak in Germany in summer 2011 caused 53 deaths, over 4000 individual infections across Europe, and considerable economic, social and political impact. This outbreak was the first in a position to exploit rapid, benchtop high-throughput sequencing (HTS) technologies and crowdsourced data analysis early in its investigation, establishing a new paradigm for rapid response to disease threats. We describe a novel strategy for design of diagnostic PCR primers that exploited this rapid draft bacterial genome sequencing to distinguish between E. coli O104:H4 outbreak isolates and other pathogenic E. coli isolates, including the historical hæmolytic uræmic syndrome (HUSEC) E. coli HUSEC041 O104:H4 strain, which possesses the same serotype as the outbreak isolates. Primers were designed using a novel alignment-free strategy against eleven draft whole genome assemblies of E. coli O104:H4 German outbreak isolates from the E. coli O104:H4 Genome Analysis Crowd-Sourcing Consortium website, and a negative sequence set containing 69 E. coli chromosome and plasmid sequences from public databases. Validation in vitro against 21 'positive' E. coli O104:H4 outbreak and 32 'negative' non-outbreak EHEC isolates indicated that individual primer sets exhibited 100% sensitivity for outbreak isolates, with false positive rates of between 9% and 22%. A minimal combination of two primers discriminated between outbreak and non-outbreak E. coli isolates with 100% sensitivity and 100% specificity. Draft genomes of isolates of disease outbreak bacteria enable high throughput primer design and enhanced diagnostic performance in comparison to traditional molecular assays. Future outbreak investigations will be able to harness HTS rapidly to generate draft genome sequences and diagnostic primer sets, greatly facilitating epidemiology and clinical diagnostics. We expect that high throughput primer design strategies will enable faster, more precise responses to

  20. Study of local structure by DAFS

    International Nuclear Information System (INIS)

    Mizuki, Jun-ichiro

    1997-01-01

    We will describe a rather new X-ray structural technique, Diffraction Anomalous Fine Structure (DAFS), in which the Bragg diffraction intensities of a fixed momentum transfer is measured as a function of the incident X-ray energy. This technique can provide the same short-range structural information as XAFS. Because DAFS combines the capabilities of diffraction and XAFS into a single technique, it has two enhanced sensitivities compared to the separate technique. These are 'spatial selectivity' and 'site selectivity'. In this chapter semiconductor interface structure study as an example for spatial selectivity and structural study of high Tc superconductor as an example for site selectivity will be shown. (author)

  1. Towards structural controllability of local-world networks

    International Nuclear Information System (INIS)

    Sun, Shiwen; Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi

    2016-01-01

    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.

  2. 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.

  3. Local conservation laws and the structure of the many-body localized states.

    Science.gov (United States)

    Serbyn, Maksym; Papić, Z; Abanin, Dmitry A

    2013-09-20

    We construct a complete set of local integrals of motion that characterize the many-body localized (MBL) phase. Our approach relies on the assumption that local perturbations act locally on the eigenstates in the MBL phase, which is supported by numerical simulations of the random-field XXZ spin chain. We describe the structure of the eigenstates in the MBL phase and discuss the implications of local conservation laws for its nonequilibrium quantum dynamics. We argue that the many-body localization can be used to protect coherence in the system by suppressing relaxation between eigenstates with different local integrals of motion.

  4. Towards a Viable Local Government Structure in Nigeria:

    African Journals Online (AJOL)

    M.P._Ezekiel & D.O_Oriakhogba

    Local government, local administration, one-tier model, two-tier model, hybrid structure, Nigeria. DOI ... presidential system of administration to local government in a bid to create a. ♧. Mobolaji P. Ezekiel (PhD), Lecturer, ..... established such as a region-wide transit district or hospital district.36 Other advantages include the ...

  5. A generative, probabilistic model of local protein structure

    DEFF Research Database (Denmark)

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

    2008-01-01

    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...

  6. Alignment-free design of highly discriminatory diagnostic primer sets for Escherichia coli O104:H4 outbreak strains.

    Directory of Open Access Journals (Sweden)

    Leighton Pritchard

    Full Text Available BACKGROUND: An Escherichia coli O104:H4 outbreak in Germany in summer 2011 caused 53 deaths, over 4000 individual infections across Europe, and considerable economic, social and political impact. This outbreak was the first in a position to exploit rapid, benchtop high-throughput sequencing (HTS technologies and crowdsourced data analysis early in its investigation, establishing a new paradigm for rapid response to disease threats. We describe a novel strategy for design of diagnostic PCR primers that exploited this rapid draft bacterial genome sequencing to distinguish between E. coli O104:H4 outbreak isolates and other pathogenic E. coli isolates, including the historical hæmolytic uræmic syndrome (HUSEC E. coli HUSEC041 O104:H4 strain, which possesses the same serotype as the outbreak isolates. METHODOLOGY/PRINCIPAL FINDINGS: Primers were designed using a novel alignment-free strategy against eleven draft whole genome assemblies of E. coli O104:H4 German outbreak isolates from the E. coli O104:H4 Genome Analysis Crowd-Sourcing Consortium website, and a negative sequence set containing 69 E. coli chromosome and plasmid sequences from public databases. Validation in vitro against 21 'positive' E. coli O104:H4 outbreak and 32 'negative' non-outbreak EHEC isolates indicated that individual primer sets exhibited 100% sensitivity for outbreak isolates, with false positive rates of between 9% and 22%. A minimal combination of two primers discriminated between outbreak and non-outbreak E. coli isolates with 100% sensitivity and 100% specificity. CONCLUSIONS/SIGNIFICANCE: Draft genomes of isolates of disease outbreak bacteria enable high throughput primer design and enhanced diagnostic performance in comparison to traditional molecular assays. Future outbreak investigations will be able to harness HTS rapidly to generate draft genome sequences and diagnostic primer sets, greatly facilitating epidemiology and clinical diagnostics. We expect that high

  7. Locality and orthomodular structure of compound systems

    Science.gov (United States)

    Watanabe, Teppei

    2004-05-01

    A P-lattice is defined as a σ-complete, orthomodular atomic lattice L which is formed by the set of propositions of a physical system. A composition of physical systems in the framework of P-lattices is considered and some notions of locality are given. It is shown that the following statements about compound systems are equivalent. (a) All atoms of a compound system are reducible to those of its subsystems. (b) All pure states of a compound system are separable into those of its subsystems. (c) A compound system has statistical property independence. (d) At least one of the subsystems is classical. (e) Bell-type inequalities hold.

  8. Enhancing community detection by using local structural information

    International Nuclear Information System (INIS)

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

    2016-01-01

    Many real-world networks, such as 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 a positive effect on community detection in the networks. Here, various local similarity measures are used to extract local structural information, which is then 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 for the improvement of community detection methods, while the positive effect of the local similarity measures is closely related to the networks under study and applied community detection methods. (paper: interdisciplinary statistical mechanics)

  9. Understanding water's anomalies with locally favored structures

    OpenAIRE

    Russo, John; Tanaka, Hajime

    2013-01-01

    Water is a complex structured liquid of hydrogen-bonded molecules that displays a surprising array of unusual properties, also known as water anomalies, the most famous being the density maximum at about $4^\\circ$C. The origin of these anomalies is still a matter of debate, and so far a quantitative description of water's phase behavior starting from the molecular arrangements is still missing. Here we provide a simple physical description from microscopic data obtained through computer simul...

  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....... Nano Beam Electron Diffraction (NBED) is shown to be a powerful technique to reveal strain near the interface of compositional change in heterostructured semiconductor nanowires. Furthermore, the relative orientation of the nanowires is studied by means of NBED revealing the nanowires to be very...

  11. Resonance ultrasonic actuation and local structural rejuvenation in metallic glasses

    Science.gov (United States)

    Wang, D. P.; Yang, Y.; Niu, X. R.; Lu, J.; Yang, G. N.; Wang, W. H.; Liu, C. T.

    2017-06-01

    Using the method of contact resonance ultrasonic actuation (CRUA), we observed evidence of local structural rejuvenation at the surface of metallic glasses (MGs), arising from the increase of the vibration amplitude of the atoms after the resonance actuation. By adjusting the CRUA parameters, the size, pattern, and extent of the rejuvenated zones could be tailored. Nanoindentation tests revealed suppressed nucleation of shear bands after CRUA, originating from the homogenization of the local structure induced by the ultrasonic vibration. Compared with the structural homogenization from annealing, this method will not sacrifice the concentration of the free volume for the local structural constraint. These results are useful to understand the evolution of the microstructure and local structural rejuvenation of MGs, as well as the design of MGs with improved plasticity from the nanoscale to the microscale.

  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. Stability on local unconditional structure and the Gordon-Lewis ...

    African Journals Online (AJOL)

    Abstract. Click on the link to view the abstract. Keywords: local unconditional structure; Gordon-Lewis property and tensor products of Banach spaces. Quaestiones Mathematicae 31(2008), 141–150 ...

  15. Local Influence Analysis of Nonlinear Structural Equation Models

    Science.gov (United States)

    Lee, Sik-Yum; Tang, Nian-Sheng

    2004-01-01

    By regarding the latent random vectors as hypothetical missing data and based on the conditional expectation of the complete-data log-likelihood function in the EM algorithm, we investigate assessment of local influence of various perturbation schemes in a nonlinear structural equation model. The basic building blocks of local influence analysis…

  16. Community detection using global and local structural information

    Indian Academy of Sciences (India)

    Abstract. Community detection is of considerable importance for understanding both the struc- ture 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 ...

  17. Preserving Global and Local Structures for Supervised Dimensionality Reduction

    Directory of Open Access Journals (Sweden)

    Song Yinglei

    2015-01-01

    Full Text Available In this paper, we develop a new approach for dimensionality reduction of labeled data. This approach integrates both global and local structures of data into a new objective, we show that the objective can be optimized by solving an eigenvalue problem. Testing results on benchmark data sets show that this new approach can effectively capture both the crucial global and local structures of data and thus lead to more accurate results for dimensionality reduction than existing approaches.

  18. Local structures around the substituted elements in mixed layered oxides.

    Science.gov (United States)

    Akama, Shota; Kobayashi, Wataru; Amaha, Kaoru; Niwa, Hideharu; Nitani, Hiroaki; Moritomo, Yutaka

    2017-03-02

    The chemical substitution of a transition metal (M) is an effective method to improve the functionality of a material, such as its electrochemical, magnetic, and dielectric properties. The substitution, however, causes local lattice distortion because the difference in the ionic radius (r) modifies the local interatomic distances. Here, we systematically investigated the local structures in the pure (x = 0.0) and mixed (x = 0.05 or 0.1) layered oxides, Na(M 1-x M' x )O 2 (M and M' are the majority and minority transition metals, respectively), by means of extended X-ray absorption fine structure (EXAFS) analysis. We found that the local interatomic distance (d M-O ) around the minority element approaches that around the majority element to reduces the local lattice distortion. We further found that the valence of the minority Mn changes so that its ionic radius approaches that of the majority M.

  19. Local structure studies using the pair distribution function

    Directory of Open Access Journals (Sweden)

    Bordet Pierre

    2015-01-01

    Full Text Available The pair distribution analysis method is a fast spreading structural analysis method allowing to go beyond classical crystallographic analysis by providing quantitative information about local as well as meso-structure. It based on powder diffraction data fourier transformed to direct space. We will present here the main characteristics of the method, and its domain of application.

  20. Structure of local interactions in complex financial dynamics.

    Science.gov (United States)

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

    2014-06-17

    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.

  1. 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.

  2. An online substructure identification method for local structural health monitoring

    International Nuclear Information System (INIS)

    Hou, Jilin; Ou, Jinping; Jankowski, Łukasz

    2013-01-01

    This paper proposes a substructure isolation method, which uses time series of measured local response for online monitoring of substructures. The proposed monitoring process consists of two key steps: construction of the isolated substructure, and its identification. The isolated substructure is an independent virtual structure, which is numerically isolated from the global structure by placing virtual supports on the interface. First, the isolated substructure is constructed by a specific linear combination of time series of its measured local responses. Then, the isolated substructure is identified using its local natural frequencies extracted from the combined responses. The substructure is assumed to be linear; the outside part of the global structure can have any characteristics. The method has no requirements on the initial state of the structure, and so the process can be carried out repetitively for online monitoring. Online isolation and monitoring is illustrated in a numerical example with a frame model, and then verified in a cantilever beam experiment. (paper)

  3. An Alignment-Free Algorithm in Comparing the Similarity of Protein Sequences Based on Pseudo-Markov Transition Probabilities among Amino Acids.

    Science.gov (United States)

    Li, Yushuang; Song, Tian; Yang, Jiasheng; Zhang, Yi; Yang, Jialiang

    2016-01-01

    In this paper, we have proposed a novel alignment-free method for comparing the similarity of protein sequences. We first encode a protein sequence into a 440 dimensional feature vector consisting of a 400 dimensional Pseudo-Markov transition probability vector among the 20 amino acids, a 20 dimensional content ratio vector, and a 20 dimensional position ratio vector of the amino acids in the sequence. By evaluating the Euclidean distances among the representing vectors, we compare the similarity of protein sequences. We then apply this method into the ND5 dataset consisting of the ND5 protein sequences of 9 species, and the F10 and G11 datasets representing two of the xylanases containing glycoside hydrolase families, i.e., families 10 and 11. As a result, our method achieves a correlation coefficient of 0.962 with the canonical protein sequence aligner ClustalW in the ND5 dataset, much higher than those of other 5 popular alignment-free methods. In addition, we successfully separate the xylanases sequences in the F10 family and the G11 family and illustrate that the F10 family is more heat stable than the G11 family, consistent with a few previous studies. Moreover, we prove mathematically an identity equation involving the Pseudo-Markov transition probability vector and the amino acids content ratio vector.

  4. An alignment-free method to find similarity among protein sequences via the general form of Chou's pseudo amino acid composition.

    Science.gov (United States)

    Gupta, M K; Niyogi, R; Misra, M

    2013-01-01

    In this paper, we propose a method to create the 60-dimensional feature vector for protein sequences via the general form of pseudo amino acid composition. The construction of the feature vector is based on the contents of amino acids, total distance of each amino acid from the first amino acid in the protein sequence and the distribution of 20 amino acids. The obtained cosine distance metric (also called the similarity matrix) is used to construct the phylogenetic tree by the neighbour joining method. In order to show the applicability of our approach, we tested it on three proteins: 1) ND5 protein sequences from nine species, 2) ND6 protein sequences from eight species, and 3) 50 coronavirus spike proteins. The results are in agreement with known history and the output from the multiple sequence alignment program ClustalW, which is widely used. We have also compared our phylogenetic results with six other recently proposed alignment-free methods. These comparisons show that our proposed method gives a more consistent biological relationship than the others. In addition, the time complexity is linear and space required is less as compared with other alignment-free methods that use graphical representation. It should be noted that the multiple sequence alignment method has exponential time complexity.

  5. Local thermal energy as a structural indicator in glasses.

    Science.gov (United States)

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

    2017-07-11

    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 [Formula: see text] 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. 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.

  7. Confidence-guided local structure prediction with HHfrag.

    Directory of Open Access Journals (Sweden)

    Ivan Kalev

    Full Text Available We present a method to assess the reliability of local structure prediction from sequence. We introduce a greedy algorithm for filtering and enrichment of dynamic fragment libraries, compiled with remote-homology detection methods such as HHfrag. After filtering false hits at each target position, we reduce the fragment library to a minimal set of representative fragments, which are guaranteed to have correct local structure in regions of detectable conservation. We demonstrate that the location of conserved motifs in a protein sequence can be predicted by examining the recurrence and structural homogeneity of detected fragments. The resulting confidence score correlates with the local RMSD of the representative fragments and allows us to predict torsion angles from sequence with better accuracy compared to existing machine learning methods.

  8. Measurement of local relative displacements in large structures

    DEFF Research Database (Denmark)

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

    2014-01-01

    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....

  9. 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.

  10. Damage localization in offshore structures using shaped inputs

    DEFF Research Database (Denmark)

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

    2017-01-01

    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......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...... 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...

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

    Indian Academy of Sciences (India)

    theoretically studied from the superposition model for the ZFSs and the approximation formula for the g factor ... local structure would be helpful to understand the optical and magnetic properties of this material with Gd ... electron paramagnetic resonance (EPR) technique has been applied to these ions in. KY3F10 [12–15].

  12. 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...

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

    Science.gov (United States)

    Park, Yeonseok; Choi, Anthony; Kim, Keonwook

    2017-09-23

    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%.

  14. Local structure of numerically generated worm hole spacetime.

    Science.gov (United States)

    Siino, M.

    The author investigates the evolution of the apparent horizons in a numerically gererated worm hole spacetime. The behavior of the apparent horizons is affected by the dynamics of the matter field. By using the local mass of the system, he interprets the evolution of the worm hole structure.

  15. 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 ...

  16. Local fit evaluation of structural equation models using graphical criteria.

    Science.gov (United States)

    Thoemmes, Felix; Rosseel, Yves; Textor, Johannes

    2018-03-01

    Evaluation of model fit is critically important for every structural equation model (SEM), and sophisticated methods have been developed for this task. Among them are the χ² goodness-of-fit test, decomposition of the χ², derived measures like the popular root mean square error of approximation (RMSEA) or comparative fit index (CFI), or inspection of residuals or modification indices. Many of these methods provide a global approach to model fit evaluation: A single index is computed that quantifies the fit of the entire SEM to the data. In contrast, graphical criteria like d-separation or trek-separation allow derivation of implications that can be used for local fit evaluation, an approach that is hardly ever applied. We provide an overview of local fit evaluation from the viewpoint of SEM practitioners. In the presence of model misfit, local fit evaluation can potentially help in pinpointing where the problem with the model lies. For models that do fit the data, local tests can identify the parts of the model that are corroborated by the data. Local tests can also be conducted before a model is fitted at all, and they can be used even for models that are globally underidentified. We discuss appropriate statistical local tests, and provide applied examples. We also present novel software in R that automates this type of local fit evaluation. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  17. local structure study of V2O3 powder

    Science.gov (United States)

    Chen, Hao; Dmouski, Wojtek; Egami, Takeshi

    2001-03-01

    Vanadium sesquioxide undergoes a phase transition at 155K 165K from an antiferromagnetic insulator to paramagnetic metal with the crystal structure changing from monoclinic(I2/a) to trigonal (R3C)) with a 1.4volume at elevated temperature. The metal-insulator transition in V2O3 is generally believed to be driven by the Mott-Hubbard (MH) mechanism. However, recent experiments show there is still controversy with the metal-insulator transition model. It should be emphasized that since the MH mechanism depends on the distance between the first few neighboring atoms and the corresponding overlap of their wave functions, the measurements of the local structure may help to determine whether this or some other mechanism holds. In this paper, v2O3 Powder is detected by X-ray and Neutron rays. The result shows that PDF patterns of monoclinic phase and trigonal phase are similar, which means the local structure of both phases do not change. The fact, that local structures of both phases are similar, cannot be explained by the pure orbital occupation of Mott-Hubbard type of transition. Other mechanism, including electronic and magnetic structure change may take an important role in the transition

  18. 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.

  19. Local magnetic structure determination using polarized neutron holography

    Science.gov (United States)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-05-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems.

  20. Local magnetic structure determination using polarized neutron holography

    International Nuclear Information System (INIS)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-01-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems

  1. XAFS study of the local structure of vanadium sesquioxide

    Science.gov (United States)

    Frenkel, Anatoly; Stern, Edward

    1996-03-01

    Vanadium sesquioxide (V_2O_3) undergoes a metal - insulator phase transition, accompanied by structural and magnetic transitions at the same temperature, when cooled below Tc ≈ 150 K. Upon the transition, the average crystal structure determined by diffraction changes from rhombohedral to monoclinic, where the vanadium - vanadium distances increase by about 0.11 ÅIt is generally believed that the metal - insulator transition is driven by the Mott - Habbard mechanism, consistent with such an expansion of the vanadium atoms distances. The information on the average structure only is not sufficient, however, to determine the nature of the transition which is related to the change in local structure around the V atoms. We performed X - ray Absorption Fine Structure (XAFS) transmission measuremerents at the V K - edge of V_2O3 - powder below and above Tc and determined the partial pair distribution function of the V and O nearest neighbors relative to the absorbing vanadium atom. An observed difference between the local and the average structure is discussed.

  2. Toward structurally integrated locally resonant metamaterials for vibration attenuation

    Science.gov (United States)

    Schmied, Jascha U.; Sugino, Christopher; Bergamini, Andrea; Ermanni, Paolo; Ruzzene, Massimo; Erturk, Alper

    2017-04-01

    In this contribution, we explore the use of locally resonant metamaterials for multi-functional structural load- bearing concepts using analytical, numerical, and experimental techniques. Locally resonant metamaterials exhibit bandgaps at wavelengths much larger than the lattice dimension. This is a promising feature for low- frequency vibration attenuation. The presented work aims to investigate highly integrated structural concepts and experimentally validated prototypes for vibration reduction in load-bearing applications. The goal is to explore and extend the design space of lightweight structural systems, by designing multi-functional periodic structural elements, preserving structural stiffness while concurrently enabling sufficiently wideband damping performance over a target frequency range of interest. Following a generalized theoretical modeling framework for bandgap design and analysis in finite structures, the focus is placed on the design, fabrication, and analysis of a load-carrying frame development with internally resonant components. Finite-element modeling is employed to design and analyze the frequency response of the frame and simplified analytical solution is compared with this numerical solution. Experimental validations are presented for a 3D-printed prototype. The effects of various parameters are reported both based on numerical and experimental findings.

  3. The local structure of high-temperature superconductors

    International Nuclear Information System (INIS)

    Mustre de Leon, J.; Conradson, S.D.; Bishop, A.R.; Raistrick, I.D.

    1992-01-01

    We show how x-ray absorption fine structure (XAFS) has been successfully used in the determination of the local crystal structure of high-temperature superconductors, with advantages over traditional diffraction techniques. We review the experimental results that yielded the first evidence for an axial-oxygen-centered lattice instability connected with the superconductivity transition. The interpretation of this instability in terms of a dynamical tunneling model suggests the presence of polarons in these materials. XAFS on Tl 2 Ba 2 CuO 6 and other Tl-based superconductors indicate the presence of local instabilities in the CuO 2 planes of these materials, in addition to axial-oxygen instabilities

  4. 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...

  5. 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....... Through these and a number of examples we show that the formalism supports local reasoning: A speci-cation and proof can concentrate on only those cells in memory that a program accesses. This paper builds on earlier work by Burstall, Reynolds, Ishtiaq and O'Hearn on reasoning about data structures....

  6. ASSIST: a fast versatile local structural comparison tool.

    Science.gov (United States)

    Caprari, Silvia; Toti, Daniele; Viet Hung, Le; Di Stefano, Maurizio; Polticelli, Fabio

    2014-04-01

    Structural genomics initiatives are increasingly leading to the determination of the 3D structure of target proteins whose catalytic function is not known. The aim of this work was that of developing a novel versatile tool for searching structural similarity, which allows to predict the catalytic function, if any, of these proteins. The algorithm implemented by the tool is based on local structural comparison to find the largest subset of similar residues between an input protein and known functional sites. The method uses a geometric hashing approach where information related to residue pairs from the input structures is stored in a hash table and then is quickly retrieved during the comparison step. Tests on proteins belonging to different functional classes, done using the Catalytic Site Atlas entries as targets, indicate that the algorithm is able to identify the correct functional class of the input protein in the vast majority of the cases. The application was developed in Java SE 6, with a Java Swing Graphic User Interface (GUI). The system can be run locally on any operating system (OS) equipped with a suitable Java Virtual Machine, and is available at the following URL: http://www.computationalbiology.it/software/ASSISTv1.zip.

  7. Topology Optimization of Continuum Structures with Local Stress Constraints

    DEFF Research Database (Denmark)

    Duysinx, Pierre; Bendsøe, Martin P

    1997-01-01

    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 m...... of the stress constraints is used. We describe the mathematical programming approach that is used to solve the numerical optimization problems, and show results for a number of example applications....

  8. Measuring capital market efficiency: Global and local correlations structure

    Czech Academy of Sciences Publication Activity Database

    Krištoufek, Ladislav; Vošvrda, Miloslav

    2013-01-01

    Roč. 392, č. 1 (2013), s. 184-193 ISSN 0378-4371 R&D Projects: GA ČR(CZ) GBP402/12/G097 Institutional support: RVO:67985556 Keywords : Capital market efficiency * Fractal dimension * Long-range dependence * Short-range dependence Subject RIV: AH - Economics Impact factor: 1.722, year: 2013 http://library.utia.cas.cz/separaty/2012/E/kristoufek-measuring capital market efficiency global and local correlations structure.pdf

  9. 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 ...

  10. Localized structural frustration for evaluating the impact of sequence variants.

    Science.gov (United States)

    Kumar, Sushant; Clarke, Declan; Gerstein, Mark

    2016-12-01

    Population-scale sequencing is increasingly uncovering large numbers of rare single-nucleotide variants (SNVs) in coding regions of the genome. The rarity of these variants makes it challenging to evaluate their deleteriousness with conventional phenotype-genotype associations. Protein structures provide a way of addressing this challenge. Previous efforts have focused on globally quantifying the impact of SNVs on protein stability. However, local perturbations may severely impact protein functionality without strongly disrupting global stability (e.g. in relation to catalysis or allostery). Here, we describe a workflow in which localized frustration, quantifying unfavorable local interactions, is employed as a metric to investigate such effects. Using this workflow on the Protein Databank, we find that frustration produces many immediately intuitive results: for instance, disease-related SNVs create stronger changes in localized frustration than non-disease related variants, and rare SNVs tend to disrupt local interactions to a larger extent than common variants. Less obviously, we observe that somatic SNVs associated with oncogenes and tumor suppressor genes (TSGs) induce very different changes in frustration. In particular, those associated with TSGs change the frustration more in the core than the surface (by introducing loss-of-function events), whereas those associated with oncogenes manifest the opposite pattern, creating gain-of-function events. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  11. Localized structural frustration for evaluating the impact of sequence variants

    Science.gov (United States)

    Kumar, Sushant; Clarke, Declan; Gerstein, Mark

    2016-01-01

    Population-scale sequencing is increasingly uncovering large numbers of rare single-nucleotide variants (SNVs) in coding regions of the genome. The rarity of these variants makes it challenging to evaluate their deleteriousness with conventional phenotype–genotype associations. Protein structures provide a way of addressing this challenge. Previous efforts have focused on globally quantifying the impact of SNVs on protein stability. However, local perturbations may severely impact protein functionality without strongly disrupting global stability (e.g. in relation to catalysis or allostery). Here, we describe a workflow in which localized frustration, quantifying unfavorable local interactions, is employed as a metric to investigate such effects. Using this workflow on the Protein Databank, we find that frustration produces many immediately intuitive results: for instance, disease-related SNVs create stronger changes in localized frustration than non-disease related variants, and rare SNVs tend to disrupt local interactions to a larger extent than common variants. Less obviously, we observe that somatic SNVs associated with oncogenes and tumor suppressor genes (TSGs) induce very different changes in frustration. In particular, those associated with TSGs change the frustration more in the core than the surface (by introducing loss-of-function events), whereas those associated with oncogenes manifest the opposite pattern, creating gain-of-function events. PMID:27915290

  12. 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 ...

  13. Global and local targeted immunization in networks with community structure

    International Nuclear Information System (INIS)

    Yan, Shu; Tang, Shaoting; Pei, Sen; Zheng, Zhiming; Fang, Wenyi

    2015-01-01

    Immunization plays an important role in the field of epidemic spreading in complex networks. In previous studies, targeted immunization has been proved to be an effective strategy. However, when extended to networks with community structure, it is unknown whether the superior strategy is to vaccinate the nodes who have the most connections in the entire network (global strategy), or those in the original community where epidemic starts to spread (local strategy). In this work, by using both analytic approaches and simulations, we observe that the answer depends on the closeness between communities. If communities are tied closely, the global strategy is superior to the local strategy. Otherwise, the local targeted immunization is advantageous. The existence of a transitional value of closeness implies that we should adopt different strategies. Furthermore, we extend our investigation from two-community networks to multi-community networks. We consider the mode of community connection and the location of community where epidemic starts to spread. Both simulation results and theoretical predictions show that local strategy is a better option for immunization in most cases. But if the epidemic begins from a core community, global strategy is superior in some cases. (paper)

  14. Characterizing structural transitions using localized free energy landscape analysis.

    Directory of Open Access Journals (Sweden)

    Nilesh K Banavali

    Full Text Available Structural changes in molecules are frequently observed during biological processes like replication, transcription and translation. These structural changes can usually be traced to specific distortions in the backbones of the macromolecules involved. Quantitative energetic characterization of such distortions can greatly advance the atomic-level understanding of the dynamic character of these biological processes.Molecular dynamics simulations combined with a variation of the Weighted Histogram Analysis Method for potential of mean force determination are applied to characterize localized structural changes for the test case of cytosine (underlined base flipping in a GTCAGCGCATGG DNA duplex. Free energy landscapes for backbone torsion and sugar pucker degrees of freedom in the DNA are used to understand their behavior in response to the base flipping perturbation. By simplifying the base flipping structural change into a two-state model, a free energy difference of upto 14 kcal/mol can be attributed to the flipped state relative to the stacked Watson-Crick base paired state. This two-state classification allows precise evaluation of the effect of base flipping on local backbone degrees of freedom.The calculated free energy landscapes of individual backbone and sugar degrees of freedom expectedly show the greatest change in the vicinity of the flipping base itself, but specific delocalized effects can be discerned upto four nucleotide positions away in both 5' and 3' directions. Free energy landscape analysis thus provides a quantitative method to pinpoint the determinants of structural change on the atomic scale and also delineate the extent of propagation of the perturbation along the molecule. In addition to nucleic acids, this methodology is anticipated to be useful for studying conformational changes in all macromolecules, including carbohydrates, lipids, and proteins.

  15. 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

  16. 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

  17. 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

  18. Alignment-based and alignment-free methods converge with experimental data on amino acids coded by stop codons at split between nuclear and mitochondrial genetic codes.

    Science.gov (United States)

    Seligmann, Hervé

    2018-04-03

    Genetic codes mainly evolve by reassigning punctuation codons, starts and stops. Previous analyses assuming that undefined amino acids translate stops showed greater divergence between nuclear and mitochondrial genetic codes. Here, three independent methods converge on which amino acids translated stops at split between nuclear and mitochondrial genetic codes: (a) alignment-free genetic code comparisons inserting different amino acids at stops; (b) alignment-based blast analyses of hypothetical peptides translated from non-coding mitochondrial sequences, inserting different amino acids at stops; (c) biases in amino acid insertions at stops in proteomic data. Hence short-term protein evolution models reconstruct long-term genetic code evolution. Mitochondria reassign stops to amino acids otherwise inserted at stops by codon-anticodon mismatches (near-cognate tRNAs). Hence dual function (translation termination and translation by codon-anticodon mismatch) precedes mitochondrial reassignments of stops to amino acids. Stop ambiguity increases coded information, compensates endocellular mitogenome reduction. Mitochondrial codon reassignments might prevent viral infections. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. 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...

  20. Local Geometric Structure Feature for Dimensionality Reduction of Hyperspectral Imagery

    Directory of Open Access Journals (Sweden)

    Fulin Luo

    2017-08-01

    Full Text Available Marginal Fisher analysis (MFA exploits the margin criterion to compact the intraclass data and separate the interclass data, and it is very useful to analyze the high-dimensional data. However, MFA just considers the structure relationships of neighbor points, and it cannot effectively represent the intrinsic structure of hyperspectral imagery (HSI that possesses many homogenous areas. In this paper, we propose a new dimensionality reduction (DR method, termed local geometric structure Fisher analysis (LGSFA, for HSI classification. Firstly, LGSFA uses the intraclass neighbor points of each point to compute its reconstruction point. Then, an intrinsic graph and a penalty graph are constructed to reveal the intraclass and interclass properties of hyperspectral data. Finally, the neighbor points and corresponding intraclass reconstruction points are used to enhance the intraclass-manifold compactness and the interclass-manifold separability. LGSFA can effectively reveal the intrinsic manifold structure and obtain the discriminating features of HSI data for classification. Experiments on the Salinas, Indian Pines, and Urban data sets show that the proposed LGSFA algorithm achieves the best classification results than other state-of-the-art methods.

  1. Nano structures of amorphous silicon: localization and energy gap

    Directory of Open Access Journals (Sweden)

    Z Nourbakhsh

    2013-10-01

    Full Text Available Renewable energy research has created a push for new materials; one of the most attractive material in this field is quantum confined hybrid silicon nano-structures (nc-Si:H embedded in hydrogenated amorphous silicon (a-Si:H. The essential step for this investigation is studying a-Si and its ability to produce quantum confinement (QC in nc-Si: H. Increasing the gap of a-Si system causes solar cell efficiency to increase. By computational calculations based on Density Functional Theory (DFT, we calculated a special localization factor, [G Allan et al., Phys. Rev. B 57 (1997 6933.], for the states close to HOMO and LUMO in a-Si, and found most weak-bond Si atoms. By removing these silicon atoms and passivating the system with hydrogen, we were able to increase the gap in the a-Si system. As more than 8% hydrogenate was not experimentally available, we removed about 2% of the most localized Si atoms in the almost tetrahedral a-Si system. After removing localized Si atoms in the system with 1000 Si atoms, and adding 8% H, the gap increased about 0.24 eV. Variation of the gap as a function of hydrogen percentage was in good agreement with the Tight –Binding results, but about 2 times more than its experimental value. This might come from the fact that in the experimental conditions, it does not have the chance to remove the most localized states. However, by improving the experimental conditions and technology, this value can be improved.

  2. 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.

  3. 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.

  4. Local Structure Fixation in the Composite Manufacturing Chain

    Science.gov (United States)

    Girdauskaite, Lina; Krzywinski, Sybille; Rödel, Hartmut; Wildasin-Werner, Andrea; Böhme, Ralf; Jansen, Irene

    2010-12-01

    Compared to metal materials, textile reinforced composites show interesting features, but also higher production costs because of low automation rate in the manufacturing chain at this time. Their applicability is also limited due to quality problems, which restrict the production of complex shaped dry textile preforms. New technologies, design concepts, and cost-effective manufacturing methods are needed in order to establish further fields of application. This paper deals with possible ways to improve the textile deformation process by locally applying a fixative to the structure parallel to the cut. This hinders unwanted deformation in the textile stock during the subsequent stacking and formation steps. It is found that suitable thermoplastic binders, applied in the appropriate manner do not restrict formation of the textile and have no negative influence on the mechanical properties of the composite.

  5. Optical fingerprint recognition based on local minutiae structure coding.

    Science.gov (United States)

    Yi, Yao; Cao, Liangcai; Guo, Wei; Luo, Yaping; Feng, Jianjiang; He, Qingsheng; Jin, Guofan

    2013-07-15

    A parallel volume holographic optical fingerprint recognition system robust to fingerprint translation, rotation and nonlinear distortion is proposed. The optical fingerprint recognition measures the similarity by using the optical filters of multiplexed holograms recorded in the holographic media. A fingerprint is encoded into multiple template data pages based on the local minutiae structure coding method after it is adapted for the optical data channel. An improved filter recording time schedule and a post-filtering calibration technology are combined to suppress the calculating error from the large variations in data page filling ratio. Experimental results tested on FVC2002 DB1 and a forensic database comprising 270,216 fingerprints demonstrate the robustness and feasibility of the system.

  6. 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...

  7. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio [Erwin Schroedinger Institut fuer Mathematische Physik, Wien (Austria); Pinamonti, Nicola [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Porrmann, Martin [KwaZulu-Natal Univ. (South Africa). Quantum Research Group, School of Physics; National Institute for Theoretical Physics, Durban (South Africa)

    2010-01-15

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M{sup '} and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M{sup '}. (orig.)

  8. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Pinamonti, Nicola

    2010-01-01

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M ' and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M ' . (orig.)

  9. Local structure refinement of disordered material models: ion pairing and structure in YCl3 aqueous solutions.

    Science.gov (United States)

    Bowron, D T; Diaz-Moreno, S

    2007-10-04

    Hydrogen/deuterium isotopic neutron diffraction techniques have been used to investigate the structure of a 1 m aqueous solution of YCl3 at room temperature. Empirical potential structure refinement (EPSR) has been used to build a three-dimensional model of the solution structure that is consistent with the bulk solvent correlations strongly probed by the neutron scattering technique. Optimization of the local structural environment of the Y3+ ion sites within the model has been performed through calculations of the yttrium K-edge, extended X-ray absorption fine structure (EXAFS) spectrum of the solution, and detailed information has been extracted on the structure of the ion hydration shell and the extent of inner-sphere ion pairing within the solution. The results demonstrate the significant potential of this hybrid data analysis approach to circumvent the limitations of the individual experimental methods, to refine atomic potential models, and to produce accurate, quantitative structural models of the local environment of dilute atomic species within tightly constrained bulk network structures.

  10. 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/

  11. 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.

  12. 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.

  13. Anisotropic structure beneath central Java from local earthquake tomography

    Science.gov (United States)

    Koulakov, Ivan; Jakovlev, Andrey; Luehr, Birger G.

    2009-02-01

    In this study we present the new tomographic code ANITA which provides 3-D anisotropic P and isotropic S velocity distribution based on P and S traveltimes from local seismicity. For the P anisotropic model, we determine four parameters for each parameterization cell. This represents an orthorhombic anisotropy with one predefined direction oriented vertically. Three of the parameters describe slowness variations along three horizontal orientations with azimuths of 0°, 60°, and 120°, and one is a perturbation along the vertical axis. The nonlinear iterative inversion procedure is similar to that used in the LOTOS code. We have implemented this algorithm for the updated data set of central Java, part of which was previously used for the isotropic inversion. It was obtained that the crustal and uppermost mantle velocity structure beneath central Java is strongly anisotropic with 7-10% of maximal difference between slow and fast velocity in different directions. In the forearc (area between southern coast and volcanoes), the structure of both isotropic and anisotropic structure is strongly heterogeneous. Variety of anisotropy orientations and highly contrasted velocity patterns can be explained by a complex block structure of the crust. Beneath volcanoes we observe faster velocities in vertical direction, which is probably an indicator for vertically oriented structures (channels, dykes). In the crust beneath the middle part of central Java, north to Merapi and Lawu volcanoes, we observe a large and very intense anomaly with a velocity decrease of up to 30% and 35% for P and S models, respectively. Inside this anomaly E-W orientation of fast velocity takes place, probably caused by regional extension stress regime. In a vertical section we observe faster horizontal velocities inside this anomaly that might be explained by layering of sediments and/or penetration of quasi-horizontal lenses with molten magma. In the mantle, trench parallel anisotropy is observed

  14. 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

  15. Thermodynamics and local structure of vinyl polymer melts

    International Nuclear Information System (INIS)

    Yethiraj, A.; Curro, J.G.; Rajasekaran, J.J.

    1995-01-01

    Monte Carlo simulation results are reported for the site-site pair correlations and equation of state of model vinyl polymer melts. The molecules are freely jointed hard chains with a hard sphere side-group attached to every other backbone bead. The local structure and pressure are investigated as a function of the diameter of the side group for melt-like densities. The intramolecular correlation functions are well represented by a single chain model where excluded volume interactions are included for beads separated by four bonds or less and neglected otherwise. The intermolecular correlation functions show interesting packing effects. The side group shields the backbone beads from approaching each other, to a degree that increases with increasing diameter of the side group. The polymer reference interaction site model integral equation theory is in good agreement with the simulation results for the pair correlation functions. At fixed volume fraction, the pressure is found to be a non-monotonic function of the size of the side group. copyright 1995 American Institute of Physics

  16. Crustal structure beneath the southern Korean Peninsula from local earthquakes

    Science.gov (United States)

    Kim, Kwang-Hee; Park, Jung-Ho; Park, Yongcheol; Hao, Tian-Yao; Kim, Han-Joon

    2017-05-01

    The 3-D subsurface structure beneath the southern Korean Peninsula is poorly known, even though such information could be key in verifying or rejecting several competing models of the tectonic evolution of East Asia. We constructed a 3-D velocity model of the upper crust beneath the southern Korean Peninsula using 19 935 P-wave arrivals from 747 earthquakes recorded by high-density local seismic networks. Results show significant lateral and vertical variations: velocity increases from northwest to southeast at shallow depths, and significant velocity variations are observed across the South Korea Tectonic Line between the Okcheon Fold Belt and the Youngnam Massif. Collision between the North and South China blocks during the Early Cretaceous might have caused extensive deformation and the observed negative velocity anomalies in the region. The results of the tomographic inversion, combined with the findings of previous studies of Bouguer and isostatic gravity anomalies, indicate the presence of high-density material in the upper and middle crust beneath the Gyeongsang Basin in the southeastern Korean Peninsula. Although our results partially support the indentation tectonic model, it is still premature to discard other tectonic evolution models because our study only covers the southern half of the peninsula.

  17. 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.

  18. 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.

  19. Local structure analysis of materials for increased energy efficiency

    Science.gov (United States)

    Medling, Scott

    In this dissertation, a wide range of materials which exhibit interesting properties with potential for energy efficiency applications are investigated. The bulk of the research was conducted using the Extended X-ray Absorption Fine Structure (EXAFS) technique. EXAFS is a powerful tool for elucidating the local structure of novel materials, and it's advantages are presented in Chapter 2. In Chapter 3, I present details on two new techniques which are used in studies later in this dissertation, but are also promising for other, unrelated studies and, therefore, warrant being discussed generally. I explain the presence of and present a method for subtracting the X-ray Raman background in the fluorescence window when collecting fluorescence EXAFS data of a dilute dopant Z in a Z+1 host. I introduce X-ray magnetic circular dichroism (XMCD) and discuss the process to reduce XMCD data, including the self-absorption corrections for low energy K-edges. In Chapter 4, I present a series of investigations on ZnS:Cu electroluminescent phosphors. Optical microscopy indicates that the emission centers do not degrade uniformly or monotonically, but rather, most of the emission centers blink on and off during degradation. The effect of this on various proposed degradation mechanisms is discussed. EXAFS data of ZnS:Cu phosphors ground to enable thinner, lower-voltage devices indicate that grinding preferentially causes damage to the CuS nanoprecipitates, quenching electroluminescence (EL) and concluding that smaller particles must be built up from nanoparticles instead. EXAFS data of nanoparticles show that adding a ZnS shell outside a ZnS:Cu core provides significant additional encapsulation of the Cu, increasing photoluminescence and indicating that this may increase EL if devices can be fabricated. Data from extremely dilute (0.02% Cu) ZnS:Cu nanoparticles is presented in order to specifically study the non-precipitate and suggests that the Cu dopant substitutes for Zn and is

  20. Expectation and Locality Effects in German Verb-final Structures.

    Science.gov (United States)

    Levy, Roger P; Keller, Frank

    2013-02-01

    Probabilistic expectations and memory limitations are central factors governing the real-time comprehension of natural language, but how the two factors interact remains poorly understood. One respect in which the two factors have come into theoretical conflict is the documentation of both locality effects, in which more dependents preceding a governing verb increase processing difficulty at the verb, and anti-locality effects, in which more preceding dependents facilitate processing at the verb. However, no controlled study has previously demonstrated both locality and anti-locality effects in the same type of dependency relation within the same language. Additionally, many previous demonstrations of anti-locality effects have been potentially confounded with lexical identity, plausibility, and sentence position. Here, we provide new evidence of both locality and anti-locality effects in the same type of dependency relation in a single language-verb-final constructions in German-while controlling for lexical identity, plausibility, and sentence position. In main clauses, we find clear anti-locality effects, with the presence of a preceding dative argument facilitating processing at the final verb; in subject-extracted relative clauses with identical linear ordering of verbal dependents, we find both anti-locality and locality effects, with processing facilitated when the verb is preceded by a dative argument alone, but hindered when the verb is preceded by both the dative argument and an adjunct. These results indicate that both expectations and memory limitations need to be accounted for in any complete theory of online syntactic comprehension.

  1. 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)

  2. Average and local structure of selected metal deuterides

    International Nuclear Information System (INIS)

    Soerby, Magnus H.

    2004-01-01

    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)

  3. 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 ...

  4. Variationally localized search direction method for constrained optimization of non-orthogonal, localized orbitals in electronic structure calculations

    Science.gov (United States)

    Ruiz-Serrano, Álvaro; Skylaris, Chris-Kriton

    2013-10-01

    A new method for the constrained optimization of non-orthogonal, spatially localized orbitals using direct energy minimization techniques, in the context of electronic structure calculations, is presented. The variationally localized search direction (VLSD) method, as it was named, ensures that strict localization constraints are imposed upon the search direction vectors exactly, analytically and in a fully variational fashion. In contrast, the truncated search direction (TSD) method, of standard use in many electronic structure approaches with localization constraints, relies on the approximation that the truncated search direction vectors of the unconstrained problem resemble the exact search direction vectors of the constrained problem. With the TSD method, in order to maintain the localization constraints, a part of the pre-calculated information that is stored in the search direction vectors has to be deleted via an ad hoc, non-variational truncation step. The results on an extensive set of test molecules show that, in general, calculations with the VLSD method require less iterations to converge than with the TSD method for any size of the localization region. It was found that in calculations on certain systems where the TSD method is forced to delete a very large amount of information, the VLSD method is capable of achieving convergence in up to three times less iterations. Validation tests show that structural and electronic properties calculated with either method are accurate and in agreement with other electronic structure approaches.

  5. The inhibitory potency of local anesthetics on NMDA receptor signalling depends on their structural features

    NARCIS (Netherlands)

    Gronwald, Carsten; Vegh, Vladimir; Hollmann, Markus W.; Hahnenkamp, Anke; Garaj, Vladimir; Hahnenkamp, Klaus

    2012-01-01

    Development of postoperative hyperalgesia depends on N-methyl-D-aspartate (NMDA) receptor activation. Local anesthetics protect against those hyperalgesic pain states and inhibit NMDA receptor activation. To outline what structural features of local anesthetics are responsible for NMDA receptor

  6. Long term structural dynamics of mechanical systems with local nonlinearities

    NARCIS (Netherlands)

    Fey, R.H.B.; Campen, D.H. van; Kraker, A. de

    1996-01-01

    This paper deals with the long term behavior of periodically excited mechanical systems consisting of linear components and local nonlinearities. The number of degrees of freedom of the linear components is reduced by applying a component mode synthesis technique. Lyapunov exponents are used to

  7. Parametric localized modes in quadratic nonlinear photonic structures

    DEFF Research Database (Denmark)

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

    2001-01-01

    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...

  8. Correlation between local structure and stability of supercooled liquid state in Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Saida, Junji; Imafuku, Muneyuki; Sato, Shigeo; Sanada, Takashi; Matsubara, Eiichiro; Inoue, Akihisa

    2007-01-01

    The correlation between the local structure and stability of supercooled liquid state is investigated in the Zr 70 (Ni, Cu) 30 binary and Zr 70 Al 10 (Ni, Cu) 20 (numbers indicate at.%) ternary metallic glasses. The Zr 70 Ni 30 binary amorphous alloy with a low stability of supercooled liquid state has a tetragonal Zr 2 Ni-like local structure around Ni atom. Meanwhile, the Zr 70 Cu 30 binary metallic glass has a different local structure of tetragonal Zr 2 Cu, where we suggest the icosahedral local structure by the quasicrystallization behavior in addition of a very small amount of noble metals. The effect of Al addition on the local structure in the Zr-Ni alloy is also examined. We have investigated that the dominant local structure changes in the icosahedral-like structure from the tetragonal Zr 2 Ni-like local structure by the Al substitution with Ni accompanying with the significant stabilization of supercooled liquid state. It is concluded that the formation of icosahedral local structure contributes to the enhancement of stability of supercooled liquid state in the Zr-based alloys

  9. Global Local Structural Optimization of Transportation Aircraft Wings

    NARCIS (Netherlands)

    Ciampa, P.D.; Nagel, B.; Van Tooren, M.J.L.

    2010-01-01

    The study presents a multilevel optimization methodology for the preliminary structural design of transportation aircraft wings. A global level is defined by taking into account the primary wing structural components (i.e., ribs, spars and skin) which are explicitly modeled by shell layered finite

  10. 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.

  11. 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

  12. Local Structure Investigation of ReMn2O5

    Science.gov (United States)

    Masadeh, A.; Tyson, T.; Cheong, S.-W.

    2009-03-01

    The temperature dependent structure of the ReMn2O5 (Re=rare earth) system has been examined by the x-ray pair distribution function method based on high-q data. Temperature dependent measurements reveal anomalies in the short range structure involving oxygen atoms. Comparison with Rietveld and XAFS analysis will be made. The detailed temperature dependent structure on multiple length scales will be presented with implications for the observed low temperature ferroelectric properties. This work is supported by DOE Grant DE-FG02-07ER46402.

  13. Topology optimization of fail-safe structures using a simplified local damage model

    DEFF Research Database (Denmark)

    Jansen, Miche; Lombaert, Geert; Schevenels, Mattias

    2014-01-01

    Topology optimization of mechanical structures often leads to efficient designs which resemble statically determinate structures. These economical structures are especially vulnerable to local loss of stiffness due to material failure. This paper therefore addresses local failure of continuum...... structures in topology optimization in order to design fail-safe structures which remain operable in a damaged state.A simplified model for local failure in continuum structures is adopted in the robust approach. The complex phenomenon of local failure is modeled by removal of material stiffness in patches...... for minimum compliance and a compliant mechanism. The robust approach is applied successfully in the design of fail-safe alternatives for the structures in these examples....

  14. 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.

  15. Electronic structure of UPd 3 — A localized f compound

    Science.gov (United States)

    Norma, M. R.; Oguchi, T.; Freeman, A. J.

    1987-10-01

    Various experiments on UPd 3, the analogue of the heavy fermion superconductor, UPt 3, have ascertained that there are two f electrons per U which are localized in a magnetic singlet state. Recently, both photoemission (PES) and de Haas-van Alphen (dHvA) experiments have been reported on UPd 3. To complement this experimental work, local density energy band calculations have been performed on UPd 3 where the f electrons have been treated as core states. The resulting density of states is found to be in good agreement with photoemission data. The theoretical Fermi surface is found to be more complex than current dHvA data indicate, but one can still unambiguously assign theoretical extremal orbits to the experimental data. Thus again, the data is consistent with a local f 2 configuration. Since the band calculations can explain the dHvA data in heavy fermion UPt 3 with the f electrons treated as band states, one finds that the Kohn-Sham ansatz for treating the f electrons as Bloch states breaks down between these two cases. This finding is confirmed by recent U(Pd xPt 3- x) alloy experiments which show a sudden decrease in the specific heat coefficient when alloying these two compounds.

  16. Localized Damage Process in Metal Structures Under High Velocity Deformation

    National Research Council Canada - National Science Library

    Vodenicharov, Stefan

    1999-01-01

    The ASB initiation and growth in high strength steel are investigated. An integrated energy theoretical approach is suggested for modeling ASB development and identifying post critical structure state in the bands...

  17. Local Crystalline Structure in an Amorphous Protein Dense Phase

    Science.gov (United States)

    Greene, Daniel G.; Modla, Shannon; Wagner, Norman J.; Sandler, Stanley I.; Lenhoff, Abraham M.

    2015-01-01

    Proteins exhibit a variety of dense phases ranging from gels, aggregates, and precipitates to crystalline phases and dense liquids. Although the structure of the crystalline phase is known in atomistic detail, little attention has been paid to noncrystalline protein dense phases, and in many cases the structures of these phases are assumed to be fully amorphous. In this work, we used small-angle neutron scattering, electron microscopy, and electron tomography to measure the structure of ovalbumin precipitate particles salted out with ammonium sulfate. We found that the ovalbumin phase-separates into core-shell particles with a core radius of ∼2 μm and shell thickness of ∼0.5 μm. Within this shell region, nanostructures comprised of crystallites of ovalbumin self-assemble into a well-defined bicontinuous network with branches ∼12 nm thick. These results demonstrate that the protein gel is comprised in part of nanocrystalline protein. PMID:26488663

  18. 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.

  19. Local seismic tomography in Belgium - implications for the geological structure.

    Science.gov (United States)

    Sichien, E.; Camelbeek, T.; Henriet, J.-P.

    2009-04-01

    We present the results of a local seismic tomography in Belgium using well-located local earthquakes registered by 37 stations of the permanent seismic network and by mobile stations installed by the Royal Observatory of Belgium. Previous studies did not offer a lot of information on the middle and lower crust. The seismic profiles shot in the region (Belcorp, Decorp, Ecors, …) all show an unreflective middle and lower crust. The gravimetric and magnetic data show the presence of a sharp transition between the Brabant Massive and the Ardennes allochtone, furthermore, a broad positive gravimetric anomaly, is interpreted as a Moho uplift underneath the Campine region. Our results confirm the sharp transition between the Brabant Massif (higher than expected velocities) and the Ardennes allochtone (lower than expected velocities). At 27 km of depth lower crust - upper mantle velocities (7.50 km/s) are found underneath the Campine region and the Eifelplume region, confirming the Moho uplifts to 28 km underneath these regions. At 13 km similar velocities (7.50 km/s) are seen underneath the Eifelplume, they correspond to a lower crust-upper mantle that trusted in the crust during the Variscan orogeny.

  20. Understanding Protein-Protein Interactions Using Local Structural Features

    DEFF Research Database (Denmark)

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

    2013-01-01

    of this classification suggests that the balance between favoring and disfavoring structural features determines if a pair of proteins interacts or not. Our results are in agreement with previous works and support the funnel-like intermolecular energy landscape theory that explains PPIs. We have used these features...

  1. DNA markers reveal genetic structure and localized diversity of ...

    African Journals Online (AJOL)

    uqhdesma

    2016-10-12

    Oct 12, 2016 ... of high-throughput sequencing (or next-generation sequencing-NGS) technologies in recent years, .... data [ln Pr(X/K)], was used to estimate K. Admixture ancestry model and correlated population allele ..... Dje Y, Forcioli D, Ater M, Lefebvre C, Vekemans X (1999). Assessing population genetic structure of ...

  2. DNA markers reveal genetic structure and localized diversity of ...

    African Journals Online (AJOL)

    High genetic diversity was observed among the landraces for both marker systems. STRUCTURE analysis revealed 4 clusters of genetically differentiated groups of landraces. Cluster analysis revealed a close relationship between landraces along geographic proximity with genetic distance between landraces increasing ...

  3. DNA markers reveal genetic structure and localized diversity of ...

    African Journals Online (AJOL)

    uqhdesma

    2016-10-12

    Oct 12, 2016 ... with genetic distance between landraces increasing with an increase in geographic distance. The ... the extent and structure of crop genetic diversity is ...... Ribosomal DNA spacer length polymorphism in barley. Mendelian inheritance, chromosomal location and population dynamics. Proc. Natl. Acad. Sci.

  4. MR brain scan tissues and structures segmentation: local cooperative Markovian agents and Bayesian formulation

    International Nuclear Information System (INIS)

    Scherrer, B.

    2008-12-01

    Accurate magnetic resonance brain scan segmentation is critical in a number of clinical and neuroscience applications. This task is challenging due to artifacts, low contrast between tissues and inter-individual variability that inhibit the introduction of a priori knowledge. In this thesis, we propose a new MR brain scan segmentation approach. Unique features of this approach include (1) the coupling of tissue segmentation, structure segmentation and prior knowledge construction, and (2) the consideration of local image properties. Locality is modeled through a multi-agent framework: agents are distributed into the volume and perform a local Markovian segmentation. As an initial approach (LOCUS, Local Cooperative Unified Segmentation), intuitive cooperation and coupling mechanisms are proposed to ensure the consistency of local models. Structures are segmented via the introduction of spatial localization constraints based on fuzzy spatial relations between structures. In a second approach, (LOCUS-B, LOCUS in a Bayesian framework) we consider the introduction of a statistical atlas to describe structures. The problem is reformulated in a Bayesian framework, allowing a statistical formalization of coupling and cooperation. Tissue segmentation, local model regularization, structure segmentation and local affine atlas registration are then coupled in an EM framework and mutually improve. The evaluation on simulated and real images shows good results, and in particular, a robustness to non-uniformity and noise with low computational cost. Local distributed and cooperative MRF models then appear as a powerful and promising approach for medical image segmentation. (author)

  5. Local atomic structure in (Zr1-xUx)N

    International Nuclear Information System (INIS)

    Walter, M.; Somers, J.; Fernandez-Carretero, A.; Rothe, J.

    2008-01-01

    (Zr 1-x U x )N solid solutions were prepared for EXAFS measurements by a sol-gel route combined with infiltration and carbothermic reduction. The lattice parameter and the more distant coordination shells (Me 2 and Me 3 ) around the Zr and U atoms follow the Vegard law. In the first coordination shell, the U-N distance also follows the Vegard law. Though the Zr-N bond distance increases with the lattice expansion caused by increasing U content, it remains constant at 232-235 pm in U-rich (Zr 1-x U x )N (x > 0.6). The measurements indicate that U accommodates the lattice contraction with increasing Zr content, whereas Zr is able to expand its Zr-N bond only at lower U content. In the composition range of transmutation fuels, (Zr 1-x U x )N is homogeneous at the local atomic scale

  6. Local damage to reinforced concrete structures caused by impact of aircraft engine missiles. Pt. 1

    International Nuclear Information System (INIS)

    Sugano, T.; Tsubota, H.; Kasai, Y.; Koshika, N.; Ohnuma, H.; Von Riesemann, W.A.; Bickel, D.C.; Parks, M.B.

    1993-01-01

    Structural damage induced by an aircraft crashing into a reinforced concrete structure includes local damage caused by the deformable engines, and global damage caused by the entire aircraft. Local damage to the target may consist of spalling of concrete from its front face together with missile penetration into it, scabbing of concrete from its rear face, and perforation of missile through it. Until now, local damage to concrete structures has been mainly evaluated by rigid missile impact tests. Past research work regarding local damage caused by impact of deformable missiles has been limited. This paper presents the results of a series of impact tests of small-, intermediate-, and full-scale engine models into reinforced concrete panels. The purpose of the tests was to determine the local damage to a reinforced concrete structure caused by the impact of a deformable aircraft engine. (orig.)

  7. Study on the local atomic structure of germanium in organic germanium compounds by EXAFS

    Science.gov (United States)

    Wang, Yin-song; Wu, Zhong-hua; Shi, Yun-tian; Wang, Yong-jie

    1999-04-01

    Organic germanium compounds have been extensively applied in medicine as tonics. In this paper, the local structures of two organic germanium compounds, carboxyethylgermanium sesquioxide and polymeric germanium glutamate, were determined by EXAFS. The structure parameters including coordination numbers and bond lengths were reported, and possible structure patterns were discussed.

  8. Local thermal and structural behavior of concrete at elevated temperatures

    International Nuclear Information System (INIS)

    Gluekler, E.L.

    1979-01-01

    At elevated temperatures, structural responses of surface heated concrete walls are significantly affected by the release of capillary, adsorbed and chemically bound water. Two major phenomena are generally observed: (1) degradation of concrete strength because of the loss of hydraulic bonds in gelatious, hydrated compounds, shrinkage of the cement matrix, increase in porosity and microcracking, and (2) pressurization of concrete pores because of vaporization of water and expansion of gases. Under certain conditions, the combined effects of material degradation and internal pressurization could lead to crack formation parallel to the surface, or spallation. This failure mode has been observed in some experiments, but not consistently. In this paper, a criterion for concrete spallation is described which depends on (1) loading conditions including pore pressures and thermal stresses, and (2) materials characteristics at elevated temperatures. (orig.)

  9. 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.

  10. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3

    International Nuclear Information System (INIS)

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

    2006-01-01

    The local structure of CeTe 3 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

  11. 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/.

  12. From local pixel structure to global image super-resolution: a new face hallucination framework.

    Science.gov (United States)

    Hu, Yu; Lam, Kin-Man; Qiu, Guoping; Shen, Tingzhi

    2011-02-01

    We have developed a new face hallucination framework termed from local pixel structure to global image super-resolution (LPS-GIS). Based on the assumption that two similar face images should have similar local pixel structures, the new framework first uses the input low-resolution (LR) face image to search a face database for similar example high-resolution (HR) faces in order to learn the local pixel structures for the target HR face. It then uses the input LR face and the learned pixel structures as priors to estimate the target HR face. We present a three-step implementation procedure for the framework. Step 1 searches the database for K example faces that are the most similar to the input, and then warps the K example images to the input using optical flow. Step 2 uses the warped HR version of the K example faces to learn the local pixel structures for the target HR face. An effective method for learning local pixel structures from an individual face, and an adaptive procedure for fusing the local pixel structures of different example faces to reduce the influence of warping errors, have been developed. Step 3 estimates the target HR face by solving a constrained optimization problem by means of an iterative procedure. Experimental results show that our new method can provide good performances for face hallucination, both in terms of reconstruction error and visual quality; and that it is competitive with existing state-of-the-art methods.

  13. Effects of Concentrical Partial (Local) Compression on the Structural Behavior of Concrete Filled Steel Tubular Column

    OpenAIRE

    Jayaganesh, S.; Raja Murugadoss, J.; Ganesh Prabhu, G.; Jegan, J.

    2015-01-01

    The objective of this present paper is to investigate the structural behavior of square and circular Concrete Filled Steel Tubular (CFST) stub columns subjected to axial partial/local compression. The experimental parameters were local compression area and section type. Among the twelve specimens, six specimens were tested under full compression and the remaining six specimens were tested under local compression. The experimental observation indicated that the failure pattern of the CFST colu...

  14. 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...

  15. 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.

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

    OpenAIRE

    Lessard, Jean-Philippe; Borregaard, Michael K.; Fordyce, James A.; Rahbek, Carsten; Weiser, Michael D.; Dunn, Robert R.; Sanders, Nathan J.

    2011-01-01

    There is a long tradition in ecology of evaluating the relative contribution of the regional species pool and local interactions on the structure of local communities. Similarly, a growing number of studies assess the phylogenetic structure of communities, relative to that in the regional species 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...

  17. Localized surface plasmon microscopy of submicron domain structures of mixed lipid bilayers.

    Science.gov (United States)

    Watanabe, Koyo; Miyazaki, Ryosuke; Terakado, Goro; Okazaki, Takashi; Morigaki, Kenichi; Kano, Hiroshi

    2012-09-01

    We propose scanning localized surface plasmon microscopy of mixed lipid bilayers with submicron domain structures. Our observation technique, which employs localized surface plasmons excited on a flat metal surface as a sensing probe, provides non-label and non-contact imaging with the spatial resolution of ∼ 170 nm. We experimentally show that submicron domain structures of mixed lipid bilayers can be observed. A detailed analysis finds that the domains are classified into two groups.

  18. Local Structures of High-Entropy Alloys (HEAs) on Atomic Scales: An Overview

    Science.gov (United States)

    Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; Egami, Takeshi; Liaw, Peter K.

    2015-08-01

    The high-entropy alloys, containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on the atomic level are essential to understand the mechanical behaviors and related mechanisms. In this article, the local structure and stress on the atomic level are reviewed by the pair-distribution function of neutron-diffraction data, ab-initio molecular dynamics simulations, and the atomic probe microscopy.

  19. Spatial attention and cuing to global and local levels of hierarchical structure.

    Science.gov (United States)

    Robertson, L C; Egly, R; Lamb, M R; Kerth, L

    1993-06-01

    Five experiments investigated the role of attention in identifying global and local targets in hierarchically structured patterns. Hierarchical patterns were presented at a variable stimulus onset asynchrony (SOA) either after a cue (4 arrows or shaded boxes) or after no cue. Targets occurred at the cued level 80% of the time and at the uncued level 20%. On uncued trials, target level probability was .5. Global cues produced benefits for both global and local targets over SOA on cued trials. Local cues produced benefits only for local targets. For uncued trials, responses favored local targets overall when interspersed with locally cued trials but favored global targets when interspersed with globally cued trials. The role of an attentional window and discrete distribution of attention over global and local levels of hierarchical patterns are discussed.

  20. 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.

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

    Science.gov (United States)

    Lessard, Jean-Philippe; Borregaard, Michael K; Fordyce, James A; Rahbek, Carsten; Weiser, Michael D; Dunn, Robert R; Sanders, Nathan J

    2012-01-22

    There is a long tradition in ecology of evaluating the relative contribution of the regional species pool and local interactions on the structure of local communities. Similarly, a growing number of studies assess the phylogenetic structure of communities, relative to that in the regional species 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 of climatic niches influences the phylogenetic structure of regional source pools and that the influence of regional source pools on local community structure is strong.

  2. Predicting protein-protein interface residues using local surface structural similarity

    Directory of Open Access Journals (Sweden)

    Jordan Rafael A

    2012-03-01

    Full Text Available Abstract Background Identification of the residues in protein-protein interaction sites has a significant impact in problems such as drug discovery. Motivated by the observation that the set of interface residues of a protein tend to be conserved even among remote structural homologs, we introduce PrISE, a family of local structural similarity-based computational methods for predicting protein-protein interface residues. Results We present a novel representation of the surface residues of a protein in the form of structural elements. Each structural element consists of a central residue and its surface neighbors. The PrISE family of interface prediction methods uses a representation of structural elements that captures the atomic composition and accessible surface area of the residues that make up each structural element. Each of the members of the PrISE methods identifies for each structural element in the query protein, a collection of similar structural elements in its repository of structural elements and weights them according to their similarity with the structural element of the query protein. PrISEL relies on the similarity between structural elements (i.e. local structural similarity. PrISEG relies on the similarity between protein surfaces (i.e. general structural similarity. PrISEC, combines local structural similarity and general structural similarity to predict interface residues. These predictors label the central residue of a structural element in a query protein as an interface residue if a weighted majority of the structural elements that are similar to it are interface residues, and as a non-interface residue otherwise. The results of our experiments using three representative benchmark datasets show that the PrISEC outperforms PrISEL and PrISEG; and that PrISEC is highly competitive with state-of-the-art structure-based methods for predicting protein-protein interface residues. Our comparison of PrISEC with PredUs, a recently

  3. Local damage to reinforced concrete structures caused by impact of aircraft engine missiles. Pt. 2

    International Nuclear Information System (INIS)

    Sugano, T.; Tsubota, H.; Kasai, Y.; Koshika, N.; Itoh, C.; Shirai, K.; Von Riesemann, W.A.; Bickel, D.C.; Parks, M.B.

    1993-01-01

    Three sets of impact tests, small-, intermediate-, and full-scale tests, have been executed to determine local damage to reinforced concrete structures caused by the impact of aircraft engine missiles. The results of the test program showed that (1) the use of the similarity law is appropriate, (2) suitable empirical formulas exist for predicting the local damage caused by rigid missiles, (3) reduction factors may be used for evaluating the reduction in local damage due to the deformability of the engines, (4) the reinforcement ratio has no effect on local damage, and (5) the test results could be adequately predicted using nonlinear response analysis. (orig.)

  4. Local structure study of the orbital order/disorder transition in LaMnO3

    Science.gov (United States)

    Thygesen, Peter M. M.; Young, Callum A.; Beake, Edward O. R.; Romero, Fabio Denis; Connor, Leigh D.; Proffen, Thomas E.; Phillips, Anthony E.; Tucker, Matthew G.; Hayward, Michael A.; Keen, David A.; Goodwin, Andrew L.

    2017-05-01

    We use a combination of neutron and x-ray total scattering measurements together with pair distribution function (PDF) analysis to characterize the variation in local structure across the orbital order/disorder transition in LaMnO3. Our experimental data are inconsistent with a conventional order/disorder description of the transition, and reflect instead the existence of a discontinuous change in local structure between ordered and disordered states. Within the orbital ordered regime, the neutron and x-ray PDFs are best described by a local structure model with the same local orbital arrangements as those observed in the average (long-range) crystal structure. We show that a variety of meaningfully different local orbital arrangement models can give fits of comparable quality to the experimental PDFs collected within the disordered regime; nevertheless, our data show a subtle but consistent preference for the anisotropic Potts model proposed previously [M. R. Ahmed and G. A. Gehring, Phys. Rev. B 79, 174106 (2009), 10.1103/PhysRevB.79.174106]. The key implications of this model are electronic and magnetic isotropy together with the loss of local inversion symmetry at the Mn site. We conclude with a critical assessment of the interpretation of PDF measurements when characterizing local symmetry breaking in functional materials.

  5. RADPLANET—A New Integrated Radiation Therapy Planning Facility Structured as a Local Area Computer Network

    OpenAIRE

    Neilsen, Ivan R.; Slater, James M.

    1982-01-01

    RADPLANET is an integrated information management and computing resource structured as a packet broadcast local area network for the Radiation Oncology Service. Computed tomography as input to the radiation treatment planning and delivery process is central to the RADPLANET system design. The initial network implementation plan has therefore been extended to include resources for the CT scanner service within its structure.

  6. 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

    preferred local arrangements, ordering lengths, and probabilities for the arrangement of neighbouring molecules. The superposition of the atomic positions of all energetically favourable calculated models corresponds well with the experimentally determined crystal structures, explaining not only the atomic....... The crystal structure of the solid solution was determined by single-crystal X-ray analysis. Extensive lattice-energy minimizations with force-field and DFT-D methods were carried out on combinatorially complete sets of ordered models. For the disordered systems, local structures were calculated, including...

  7. Wide-band underwater acoustic absorption based on locally resonant unit and interpenetrating network structure

    International Nuclear Information System (INIS)

    Heng, Jiang; Mi-Lin, Zhang; Yu-Ren, Wang; Yan-Ping, Hu; Ding, Lan; Qun-Li, Wu; Huan-Tong, Lu

    2010-01-01

    The interpenetrating network structure provides an interesting avenue to novel materials. Locally resonant phononic crystal (LRPC) exhibits excellent sound attenuation performance based on the periodical arrangement of sound wave scatters. Combining the LRPC concept and interpenetrating network glassy structure, this paper has developed a new material which can achieve a wide band underwater strong acoustic absorption. Underwater absorption coefficients of different samples were measured by the pulse tube. Measurement results show that the new material possesses excellent underwater acoustic effects in a wide frequency range. Moreover, in order to investigate impacts of locally resonant units, some defects are introduced into the sample. The experimental result and the theoretical calculation both show that locally resonant units being connected to a network structure play an important role in achieving a wide band strong acoustic absorption. (condensed matter: structure, thermal and mechanical properties)

  8. 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.

  9. Bifurcation structure of localized states in the Lugiato-Lefever equation with anomalous dispersion

    Science.gov (United States)

    Parra-Rivas, P.; Gomila, D.; Gelens, L.; Knobloch, E.

    2018-04-01

    The origin, stability, and bifurcation structure of different types of bright localized structures described by the Lugiato-Lefever equation are studied. This mean field model describes the nonlinear dynamics of light circulating in fiber cavities and microresonators. In the case of anomalous group velocity dispersion and low values of the intracavity phase detuning these bright states are organized in a homoclinic snaking bifurcation structure. We describe how this bifurcation structure is destroyed when the detuning is increased across a critical value, and determine how a bifurcation structure known as foliated snaking emerges.

  10. Extended x-ray absorption fine structure (EXAFS): a novel probe for local structure of glassy solids

    International Nuclear Information System (INIS)

    Wong, J.

    1979-01-01

    The extended x-ray absorption fine structure (EXAFS) is the oscillation in the absorption coefficient extending a few hundred eVs on the high energy side of an x-ray absorption edge. This mode of spectroscopy has recently been realized to be a powerful tool in probing the local atomic structure of all states of matter, particularly with the advent of intense synchrotron radiation. More importantly is the unique ability of EXAFS to probe the structure and dynamics around individual atomic species in a multi-atomic system. In this paper, the physical processes associated with the EXAFS phenomenon will be discussed. Experimental results obtained at the Stanford Synchrotron Radiation Laboratory on some oxide and metallic glasses will be presented. The local structure in these materials are elucidated using a Fourier transform technique

  11. Density Functional Modeling of the Local Structure of Kaolinite Subjected to Thermal Dehydroxylation

    Energy Technology Data Exchange (ETDEWEB)

    White, Claire E.; Provis, John L.; Proffen, Thomas; Riley, Daniel P.; van Deventer, Jannie S.J. (Melbourne); (LANL)

    2010-11-19

    Understanding the atomic-level changes that occur as kaolinite is converted (thermally dehydroxylated) to metakaolin is critical to the optimization of this large-scale industrial process. Metakaolin is X-ray amorphous; therefore, conventional crystallographic techniques do not reveal the changes in local structure during its formation. Local structure-based experimental techniques are useful in understanding the atomic structure but do not provide the thermodynamic information which is necessary to ensure plausibility of refined structures. Here, kaolinite dehydroxylation is modeled using density functional theory, and a stepwise methodology, where several water molecules are removed from the structure, geometry optimization is carried out, and then the process is repeated. Hence, the structure remains in an energetically and thermodynamically feasible state while transitioning from kaolinite to metakaolin. The structures generated during the dehydroxylation process are validated by comparison with X-ray and neutron pair distribution function data. Thus, this study illustrates one possible route by which dehydroxylation of kaolinite can take place, revealing a chemically, energetically, and experimentally plausible structure of metakaolin. This methodology of density functional modeling of the stepwise changes in a material is not limited in application to kaolinite or other aluminosilicates and provides an accurate representation of the local structural changes occurring in materials used in industrially important processes.

  12. Polarization-gradient laser cooling as a way to create strongly localized structures for atom lithography

    International Nuclear Information System (INIS)

    Prudnikov, O. N.; Taichenachev, A. V.; Tumaikin, A. M.; Yudin, V. I.

    2007-01-01

    Generally, conditions for deep sub-Doppler laser cooling do not match conditions for strong atomic localization, that takes place in a deeper optical potential and leads to higher temperature. Moreover, for a given detuning in a deep optical potential the secular approximation, which is frequently used for a quantum description of laser cooling, fails. Here we investigate the atomic localization in optical potential, using a full quantum approach for atomic density matrix beyond the secular approximation. It is shown that laser cooling in a deep optical potential, created by a light field with polarization gradients, can be used as an alternative method for the formation of high contrast spatially localized structures of atoms for the purposes of atom lithography and atomic nanofabrication. Finally, we analyze possible limits for the width and contrast of localized atomic structures that can be reached in this type of light mask

  13. 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

  14. Localization microscopy study of FtsZ structures in E. coli cells during SOS-response

    Science.gov (United States)

    Vedyaykin, A. D.; Sabantsev, A. V.; Vishnyakov, I. E.; Borchsenius, S. N.; Fedorova, Y. V.; Melnikov, A. S.; Serdobintsev, P. Yu; Khodorkovskii, M. A.

    2014-10-01

    Localization microscopy allows visualization of biological structures with resolution well below the diffraction limit. This is achieved by temporal separation of single fluorophore molecules emission and subsequent localization of them with the precision of few tens of nanometers. This method was previously successfully used to obtain images of FtsZ structures in Escherichia coli cells using FtsZ fusion with fluorescent protein mEos2. In this work we obtained superresolution images of FtsZ structures in fixed E. coli cells using immunocytochemical labeling. Comparison of superresolution FtsZ structures in cells undergoing SOS-response and "healthy" cells shows that FtsZ structures are partially disassembled during SOS-response, but still retain some periodicity.

  15. 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.

  16. 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.

  17. Modular localization and the holistic structure of causal quantum theory, a historical perspective

    International Nuclear Information System (INIS)

    Schroer, Bert

    2014-01-01

    Recent insights into the conceptual structure of localization in QFT ('modular localization') led to clarifications of old unsolved problems. The oldest one is the Einstein-Jordan conundrum which led Jordan in 1925 to the discovery of quantum field theory. This comparison of fluctuations in subsystems of heat bath systems (Einstein) with those resulting from the restriction of the QFT vacuum state to an open subvolume (Jordan) leads to a perfect analogy; the globally pure vacuum state becomes upon local restriction a strongly impure KMS state. This phenomenon of localization-caused thermal behavior as well as the vacuum-polarization clouds at the causal boundary of the localization region places localization in QFT into a sharp contrast with quantum mechanics and justifies the attribute 'holstic'. In fact it positions the E-J Gedankenexperiment into the same conceptual category as the cosmological constant problem and the Unruh Gedankenexperiment. The holistic structure of QFT resulting from 'modular localization' also leads to a revision of the conceptual origin of the crucial crossing property which entered particle theory at the time of the bootstrap S-matrix approach but suffered from incorrect use in the S-matrix settings of the dual model and string theory. The new holistic point of view, which strengthens the autonomous aspect of QFT, also comes with new messages for gauge theory by exposing the clash between Hilbert space structure and localization and presenting alternative solutions based on the use of string local fields in Hilbert space. Among other things this leads to a radical reformulation of the Englert-Higgs symmetry breaking mechanism. (author)

  18. 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.

  19. Effects of Concentrical Partial (Local Compression on the Structural Behavior of Concrete Filled Steel Tubular Column

    Directory of Open Access Journals (Sweden)

    S. Jayaganesh

    2015-01-01

    Full Text Available The objective of this present paper is to investigate the structural behavior of square and circular Concrete Filled Steel Tubular (CFST stub columns subjected to axial partial/local compression. The experimental parameters were local compression area and section type. Among the twelve specimens, six specimens were tested under full compression and the remaining six specimens were tested under local compression. The experimental observation indicated that the failure pattern of the CFST column with partial compression is fairly different from the CFST column subjected to full compression. The confinement provided by the circular section is quite different than the confinement provided by the square section, when the CFST column is subjected to axially local compression. It was found that the elastic modulus (stiffness and the ultimate bearing capacity of the CFST column decreased with the increase in local compression ratio. The circular and square CFST columns subjected to partial/local compression achieved an ultimate strength of 4.45% and 14.15%, respectively, less than that of the columns subjected to full compression. From the above observation, it can be inferred that the structural performance of the CFST column is significantly influenced by the local area compression ratio and this effect should be taken into account in design models.

  20. Prediction of welding residual distortions of large structures using a local/global approach

    International Nuclear Information System (INIS)

    Duan, Y. G.; Bergheau, J. M.; Vincent, Y.; Boitour, F.; Leblond, J. B.

    2007-01-01

    Prediction of welding residual distortions is more difficult than that of the microstructure and residual stresses. On the one hand, a fine mesh (often 3D) has to be used in the heat affected zone for the sake of the sharp variations of thermal, metallurgical and mechanical fields in this region. On the other hand, the whole structure is required to be meshed for the calculation of residual distortions. But for large structures, a 3D mesh is inconceivable caused by the costs of the calculation. Numerous methods have been developed to reduce the size of models. A local/global approach has been proposed to determine the welding residual distortions of large structures. The plastic strains and the microstructure due to welding are supposed can be determined from a local 3D model which concerns only the weld and its vicinity. They are projected as initial strains into a global 3D model which consists of the whole structure and obviously much less fine in the welded zone than the local model. The residual distortions are then calculated using a simple elastic analysis, which makes this method particularly effective in an industrial context. The aim of this article is to present the principle of the local/global approach then show the capacity of this method in an industrial context and finally study the definition of the local model

  1. Local structure in BaTi O3-BiSc O3 dipole glasses

    Science.gov (United States)

    Levin, I.; Krayzman, V.; Woicik, J. C.; Bridges, F.; Sterbinsky, G. E.; Usher, T.-M.; Jones, J. L.; Torrejon, D.

    2016-03-01

    Local structures in cubic perovskite-type (B a0.6B i0.4) (T i0.6S c0.4) O3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-center displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kV m m-1 .

  2. Low frequency torsional vibration gaps in the shaft with locally resonant structures

    International Nuclear Information System (INIS)

    Yu Dianlong; Liu Yaozong; Wang Gang; Cai Li; Qiu Jing

    2006-01-01

    The propagation of torsional wave in the shaft with periodically attached local resonators is studied with the transfer matrix theory and the finite element method. The analytical dispersion relation and the complex band structure of such a structure is presented for the first time, which indicates the existence of low frequency gaps. The effect of shaft material on the vibration attenuation in band gap is investigated. The frequency response function of the shaft with finite periodic locally resonant oscillators is simulated with finite element method, which shows large vibration attenuation in the frequency range of the gap as expected. The low frequency torsional gap in shafts provides a new idea for vibration control

  3. Moving localized structures and spatial patterns in quadratic media with a saturable absorber

    International Nuclear Information System (INIS)

    Tlidi, M; Taki, M; Berre, M Le; Reyssayre, E; Tallet, A; Di Menza, L

    2004-01-01

    For near the first lasing threshold, we give a detailed derivation of a real order parameter equation for the degenerate optical parametric oscillator with a saturable absorber. For this regime, we study analytically the role of the quasi-homogeneous neutral mode in the pattern formation process. We show that this effect stabilized the hexagonal patterns below the lasing threshold. More importantly, we find numerically that when Turing and Hopf bifurcations interact, a stable moving asymmetric localized structure with a constant transverse velocity is generated. The formation of the moving localized structures is analysed for both the propagation and the mean field models. A quantitative confrontation of the two models is discussed

  4. 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...... information for both edge and texture structures. This is achieved by defining feature space relations which describe the neighborhood of a descriptor. By quantitative evaluations, we show that our descriptors provide high discriminative power compared to state of the art approaches. In addition, we show how...

  5. 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.

  6. Electronic structure of α-Al2O3 slabs: A local environment study

    International Nuclear Information System (INIS)

    Darriba, Germán N.; Faccio, Ricardo; Rentería, Mario

    2012-01-01

    In this work we performed an ab initio/Density Functional Theory (DFT) study of structural and electronic properties of the (0 0 1) α-Al 2 O 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 Å 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 Å.

  7. Local-area age structure and population composition: implications for elderly health in Japan.

    Science.gov (United States)

    Vogelsang, Eric M; Raymo, James M

    2014-03-01

    This study examines relationships between local-area age structure and health at older ages. We estimate random intercept models for two disability measures using four waves of data from a national panel study of 3,580 Japanese older adults. Elderly living in relatively older areas reported more difficulties with activities of daily living compared with those living in an "average" age structure. Controlling for individual characteristics and time did little to change this relationship; while a similar relationship between older age structure and functional limitations emerged. Residents of relatively older areas tended to have lower socioeconomic status, but this "disadvantage" was offset by their higher rates of employment and marriage. These compositional differences highlight the role of local-area age structure in identifying and understanding elderly health variation between places.

  8. Local layer structure of smectic liquid crystals by X-ray micro-diffraction

    CERN Document Server

    Takanishi, Y

    2003-01-01

    The local layer structure of smectic liquid crystal has been measured using time-resolved synchrotron X-ray micro-diffraction. Typical layer disorders observed in surface stabilized (anti-) ferroelectric liquid crystals, i.e. a stripe texture, a needed-like defect and a zigzag defect, are directly analyzed. The detailed analysis slows that the surface anchoring force due to the interaction between the liquid crystal molecule and the alignment thin film plays an important role to realize both the static and dynamic local layer structures. The layer structure of the circular domain observed in the liquid crystal of bent-shaped molecules found to depend on the applied electric field though the optical micrograph shows little difference. The frustrated, double and single layer structures of the bent-shaped molecule liquid crystal are determined depending on the terminal alkyl chain length. (author)

  9. 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.

  10. 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

  11. Study of the local structure of binary surfaces by electron diffraction (XPS, LEED)

    OpenAIRE

    Gereová, Katarína

    2006-01-01

    Study of local structure of binary surface with usage of ultra-thin film of cerium deposited on a Pd (111) single-crystal surface is presented. X-ray photoelectron spectroscopy and diffraction (XPS, XPD), angle resolved UV photoemission spectroscopy (ARUPS) and low energy electron diffraction (LEED) was used for our investigations. LEED and X-ray excited photoemission intensities results represent a surface-geometrical structure. As well, mapping of ultra-violet photoelectron intensities as a...

  12. Local structure around Sn in CeCoIn5-xSnx

    International Nuclear Information System (INIS)

    Daniel, M.; Han, S.-W.; Booth, C.H.; Cornelius, A.L.; Bauer, E.D.; Sarrao, J.L.

    2004-01-01

    The local structure around Sn dopants in CeCoIn 5-x Sn z has been probed by extended x-ray absorption fine structure (EXAFS) technique. The fit results for both x = 0.12 and x = 0.18 clearly indicate the dopant Sn atoms predominantly occupying the planar In(1) site. These results are consistent with the quasi-two-dimensional electronic properties of CeCoIn 5 and is discussed in relation to the observed bulk properties

  13. 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.

  14. 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

    into structural effects of SNPs. The global measures employed so far suffer from limited accuracy of folding programs on large RNAs and are computationally too demanding for genome-wide applications. Here, we present a strategy that focuses on the local regions of maximal structural change between mutant and wild......-type. These local regions are approximated in a "screening mode" that is intended for genome-wide applications. Furthermore, localized regions are identified as those with maximal discrepancy. The mutation effects are quantified in terms of empirical P values. To this end, the RNAsnp software uses extensive...... precomputed tables of the distribution of SNP effects as function of length and GC content. RNAsnp thus achieves both a noise reduction and speed-up of several orders of magnitude over shuffling-based approaches. On a data set comprising 501 SNPs associated with human-inherited diseases, we predict 54 to have...

  15. 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.

  16. 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

  17. Designing Microstructures/Structures for Desired Functional Material and Local Fields

    Science.gov (United States)

    2015-12-02

    elucidated its ramification in engineering multifunctional soft materials, and (iii) demonstrated the possibility of concurrent magnetoelectricity and... piezoelectricity in soft materials. Concerning local field in heterogeneous structures, we have shown designs of thermoelectric composites and the...temperature gradient. These designs can be used to improve sensitivity of telecommunication receivers and efficiency of heat engines

  18. Design Optimization of Laminated Composite Structures with Many Local Strength Criteria

    DEFF Research Database (Denmark)

    Lund, Erik

    2012-01-01

    This paper presents different strategies for handling very many local strength criteria in structural optimization of laminated composites. Global strength measures using Kreisselmeier-Steinhauser or p-norm functions are introduced for patch-wise parameterizations, and the efficiency of the metho...

  19. 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...

  20. 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 repr...

  1. Design Optimization of Laminated Composite Structures with Many Local Strength Criteria

    DEFF Research Database (Denmark)

    Lund, Erik

    2012-01-01

    This paper presents different strategies for handling very many local strength criteria in structural optimization of laminated composites. Global strength measures using Kreisselmeier-Steinhauser or p-norm functions are introduced for patch-wise parameterizations, and the efficiency of the methods...

  2. 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...

  3. Genetic diversity and population structure of locally adapted South African chicken lines: Implications for conservation.

    NARCIS (Netherlands)

    Marle-Koster, van E.; Hefer, C.A.; Nel, L.H.; Groenen, M.A.M.

    2008-01-01

    In this study microsatellite markers were applied to investigate the genetic diversity and population structure of the six local chicken lines kept in the “Fowls for Africa” program, for better clarification of parameters for breed differentiation and genetic conservation of this valuable resource.

  4. 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.

  5. 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…

  6. Decoupling local mechanics from large-scale structure in modular metamaterials.

    Science.gov (United States)

    Yang, Nan; Silverberg, Jesse L

    2017-04-04

    A defining feature of mechanical metamaterials is that their properties are determined by the organization of internal structure instead of the raw fabrication materials. This shift of attention to engineering internal degrees of freedom has coaxed relatively simple materials into exhibiting a wide range of remarkable mechanical properties. For practical applications to be realized, however, this nascent understanding of metamaterial design must be translated into a capacity for engineering large-scale structures with prescribed mechanical functionality. Thus, the challenge is to systematically map desired functionality of large-scale structures backward into a design scheme while using finite parameter domains. Such "inverse design" is often complicated by the deep coupling between large-scale structure and local mechanical function, which limits the available design space. Here, we introduce a design strategy for constructing 1D, 2D, and 3D mechanical metamaterials inspired by modular origami and kirigami. Our approach is to assemble a number of modules into a voxelized large-scale structure, where the module's design has a greater number of mechanical design parameters than the number of constraints imposed by bulk assembly. This inequality allows each voxel in the bulk structure to be uniquely assigned mechanical properties independent from its ability to connect and deform with its neighbors. In studying specific examples of large-scale metamaterial structures we show that a decoupling of global structure from local mechanical function allows for a variety of mechanically and topologically complex designs.

  7. Dark localized structures in a cavity filled with a left-handed material

    International Nuclear Information System (INIS)

    Tlidi, Mustapha; Kockaert, Pascal; Gelens, Lendert

    2011-01-01

    We consider a nonlinear passive optical cavity filled with left-handed and right-handed materials and driven by a coherent injected beam. We assume that both left-handed and right-handed materials possess a Kerr focusing type of nonlinearity. We show that close to the zero-diffraction regime, high-order diffraction allows us to stabilize dark localized structures in this device. These structures consist of dips in the transverse profile of the intracavity field and do not exist without high-order diffraction. We analyze the snaking bifurcation diagram associated with these structures. Finally, a realistic estimation of the model parameters is provided.

  8. Dark localized structures in a cavity filled with a left-handed material

    Energy Technology Data Exchange (ETDEWEB)

    Tlidi, Mustapha [Optique non lineaire theorique, Universite Libre de Bruxelles, CP 231, Campus Plaine, B-1050 Bruxelles (Belgium); Kockaert, Pascal [OPERA-photonique, Universite Libre de Bruxelles, CP 194/5, 50, Av. F. D. Roosevelt, B-1050 Bruxelles (Belgium); Gelens, Lendert [Applied Physics Research Group (APHY), Vrije Universiteit Brussel, Pleinlaan 2, B-1050 Brussel (Belgium)

    2011-07-15

    We consider a nonlinear passive optical cavity filled with left-handed and right-handed materials and driven by a coherent injected beam. We assume that both left-handed and right-handed materials possess a Kerr focusing type of nonlinearity. We show that close to the zero-diffraction regime, high-order diffraction allows us to stabilize dark localized structures in this device. These structures consist of dips in the transverse profile of the intracavity field and do not exist without high-order diffraction. We analyze the snaking bifurcation diagram associated with these structures. Finally, a realistic estimation of the model parameters is provided.

  9. 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.

  10. Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices

    Science.gov (United States)

    Sakai, Shogo; Kita, Yuki

    2013-07-01

    The structures and local aromaticity of some conjugated polycyclic hydrocarbons (from the butadienoid, acene, and phenylene series) are studied using ab initio MO and density functional methods. The aromaticities of the molecules are estimated using three indices: the nucleus-independent chemical shift (NICS), the harmonic oscillator model of aromaticity (HOMA), and the index of deviation from aromaticity (IDA). Assessment of the relationships between the structures and the aromatic indices shows that the IDA values correspond best to the characteristics of the conjugated polycyclic hydrocarbon structures.

  11. A non-local structural derivative model for characterization of ultraslow diffusion in dense colloids

    Science.gov (United States)

    Liang, Yingjie; Chen, Wen

    2018-03-01

    Ultraslow diffusion has been observed in numerous complicated systems. Its mean squared displacement (MSD) is not a power law function of time, but instead a logarithmic function, and in some cases grows even more slowly than the logarithmic rate. The distributed-order fractional diffusion equation model simply does not work for the general ultraslow diffusion. Recent study has used the local structural derivative to describe ultraslow diffusion dynamics by using the inverse Mittag-Leffler function as the structural function, in which the MSD is a function of inverse Mittag-Leffler function. In this study, a new stretched logarithmic diffusion law and its underlying non-local structural derivative diffusion model are proposed to characterize the ultraslow diffusion in aging dense colloidal glass at both the short and long waiting times. It is observed that the aging dynamics of dense colloids is a class of the stretched logarithmic ultraslow diffusion processes. Compared with the power, the logarithmic, and the inverse Mittag-Leffler diffusion laws, the stretched logarithmic diffusion law has better precision in fitting the MSD of the colloidal particles at high densities. The corresponding non-local structural derivative diffusion equation manifests clear physical mechanism, and its structural function is equivalent to the first-order derivative of the MSD.

  12. 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

    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...... 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...... 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...

  13. Site-specific local structure of Mn in artificial manganese ferrite films

    International Nuclear Information System (INIS)

    Kravtsov, E.; Haskel, D.; Cady, A.; Yang, A.; Vittoria, C.; Harris, V. G.; Zuo, X.

    2006-01-01

    Diffraction anomalous fine structure (DAFS) spectroscopy has been applied to resolve site-specific Mn local structure in manganese ferrite films grown under nonequilibrium conditions. The DAFS spectra were measured at a number of Bragg reflections in the vicinity of the Mn absorption K edge. The DAFS data analysis done with an iterative Kramers-Kroenig algorithm made it possible to solve separately the local structure around crystallographically inequivalent Mn sites in the unit cell with nominal octahedral and tetrahedral coordination. The strong preference for Mn to be tetrahedrally coordinated in this compound is not only manifested in the relative site occupancies but also in a strong reduction in coordination number for Mn ions at nominal octahedral sites

  14. Dynamics-based model-independent local inspection method for damage detection of large structures

    Science.gov (United States)

    Pai, P. Frank; Huang, Lu

    2005-05-01

    This paper presents recent development and current capabilities of a dynamics-based Boundary Effect Evaluation Method (BEEM) for damage inspection of large structures. Damage introduces new boundaries to a structure, and influences of boundaries on steady-state high-frequency dynamic response are localized effects. The BEEM is a signal processing method that takes advantage of these localized effects to perform area-by-area extraction of damage-induced boundary effects from steady-state Operational Deflection Shapes (ODSs) to reveal damage locations. Steady-state ODSs of a structure can be measured using any full-field measurement tool, and the BEEM decomposes an ODS into central and boundary solutions using a sliding-window least-squares data-fitting technique. Numerical and experimental results show that boundary solutions are excellent damage indicators because of Gibbs' phenomenon, and the central solutions can be used to easily identify actual structural boundary conditions. Except experimental ODSs of the damaged structure under inspection the method requires no model or historical data for comparison. Experimental results of many one- and two-dimensional structures validates the capabilities of BEEM in detecting and estimating multiple small defects in large structures.

  15. 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}.

  16. 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.

  17. 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...... dimensionality of the raw signals/data. In simulation experiments, where a stiffened plate model was partially sunk into the water, the localization rate of acoustic emission events in a noise-free environment is greater than 94 %, using only a single sensor....

  18. 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...

  19. Limits on nonlocal correlations from the structure of the local state space

    International Nuclear Information System (INIS)

    Janotta, Peter; Gogolin, Christian; Barrett, Jonathan; Brunner, Nicolas

    2011-01-01

    The outcomes of measurements on entangled quantum systems can be nonlocally correlated. However, while it is easy to write down toy theories allowing arbitrary nonlocal correlations, those allowed in quantum mechanics are limited. Quantum correlations cannot, for example, violate a principle known as macroscopic locality, which implies that they cannot violate Tsirelson's bound. This paper shows that there is a connection between the strength of nonlocal correlations in a physical theory and the structure of the state spaces of individual systems. This is illustrated by a family of models in which local state spaces are regular polygons, where a natural analogue of a maximally entangled state of two systems exists. We characterize the nonlocal correlations obtainable from such states. The family allows us to study the transition between classical, quantum and super-quantum correlations by varying only the local state space. We show that the strength of nonlocal correlations - in particular whether the maximally entangled state violates Tsirelson's bound or not-depends crucially on a simple geometric property of the local state space, known as strong self-duality. This result is seen to be a special case of a general theorem, which states that a broad class of entangled states in probabilistic theories-including, by extension, all bipartite classical and quantum states-cannot violate macroscopic locality. Finally, our results show that models exist that are locally almost indistinguishable from quantum mechanics, but can nevertheless generate maximally nonlocal correlations.

  20. DAFS study of site-specific local structure of Mn in manganese ferrite films

    International Nuclear Information System (INIS)

    Kravtsov, E.; Haskel, D.; Cady, A.; Yang, A.; Vittoria, C.; Zuo, X.; Harris, V.G.

    2006-01-01

    Manganese ferrite (MnFe 2 O 4 ) is a well-known magnetic material widely used in electronics for many years. It is well established that its magnetic behavior is strongly influenced by local structural properties of Mn ions, which are distributed between crystallographically inequivalent tetrahedral and octahedral sites in the unit cell. In order to understand and be able to tune properties of these structures, it is necessary to have detailed site-specific structural information on the system. Here we report on the application of diffraction-anomalous fine structure (DAFS) spectroscopy to resolve site-specific Mn local structures in manganese ferrite films. The DAFS measurements were done at undulator beamline 4-ID-D of the Advanced Photon Source at Argonne National Laboratory. The DAFS spectra (Fig. 1) were measured at several Bragg reflections in the vicinity of the Mn absorption K-edge, having probed separately contributions from tetrahedrally and octahedrally coordinated Mn sites. The DAFS data analysis done with an iterative Kramers-Kroenig algorithm made it possible to solve separately the local structure around different inequivalent Mn sites in the unit cell. The reliability of the data treatment was checked carefully, and it was showed that the site-specific structural parameters obtained with DAFS allow us to describe fluorescence EXAFS spectrum measured independently. Fig. 2 shows individual site contributions to the imaginary part of the resonant scattering amplitude obtained from the treatment of the data of Fig. 1. The analysis of the refined site-specific absorption spectra was done using EXAFS methods based on theoretical standards. We provided direct evidence for the tetrahedral Mn-O bond distance being increased relative to the corresponding Fe-O distance in bulk manganese ferrites. The first coordination shell number was found to be reduced significantly for Mn atoms at these sites. This finding is consistent with the well-known tendency of Mn

  1. Molecular dynamics simulations of the local structures and transport coefficients of molten alkali chlorides.

    Science.gov (United States)

    Wang, Jia; Sun, Ze; Lu, Guimin; Yu, Jianguo

    2014-08-28

    Systematic results from molecular dynamics simulations of molten alkali chlorides (ACl) serials are presented in detail in this paper. The effects of temperature and cationic size on the structures and transport properties of molten salts have been investigated and analyzed. The local structures of molten ACl have been studied via the analysis of radial distribution functions and angular distribution functions. The coordination number of ACl decreases when ACl melts from solid and increases as cationic radius increases. Molten LiCl takes a distorted tetrahedral complex as the microconfiguration, while other melts have the tendency to keep the original local structure of the corresponding crystal. Temperature has no significant effect on the local structures of molten ACls. The results also show that the Tosi-Fumi potential predicts positive temperature dependences for self-diffusion coefficients and ionic conductivity, and negative temperature dependences for both viscosity and thermal conductivity of molten ACls. Ionic diffusivity decreases as cationic radius increases from LiCl to CsCl. The simulation results are in agreement with the experimental data available in the literature.

  2. A computational framework for the optimal design of morphing processes in locally activated smart material structures

    International Nuclear Information System (INIS)

    Wang, Shuang; Brigham, John C

    2012-01-01

    A proof-of-concept study is presented for a strategy to obtain maximally efficient and accurate morphing structures composed of active materials such as shape memory polymers (SMP) through synchronization of adaptable and localized activation and actuation. The work focuses on structures or structural components entirely composed of thermo-responsive SMP, and particularly utilizes the ability of such materials to display controllable variable stiffness. The study presents and employs a computational inverse mechanics approach that combines a computational representation of the SMP thermo-mechanical behavior with a nonlinear optimization algorithm to determine location, magnitude and sequencing of the activation and actuation to obtain a desired shape change subject to design objectives such as prevention of damage. Two numerical examples are presented in which the synchronization of the activation and actuation and the location of activation excitation were optimized with respect to the combined thermal and mechanical energy for design concepts in morphing skeletal structural components. In all cases the concept of localized activation along with the optimal design strategy were able to produce far more energy efficient morphing structures and more accurately reach the desired shape change in comparison to traditional methods that require complete structural activation prior to actuation. (paper)

  3. Ab initio study of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy and local stress

    International Nuclear Information System (INIS)

    Bhattacharya, Somesh Kr; Tanaka, Shingo; Kohyama, Masanori; Shiihara, Yoshinori

    2013-01-01

    We present first-principle calculations on symmetric tilt grain boundaries (GBs) in bcc Fe. Using density functional theory (DFT), we studied the structural, electronic and magnetic properties of Σ3(111) and Σ11(332) GBs formed by rotation around the [110] axis. The optimized structures, GB energies and GB excess free volumes are consistent with previous DFT and classical simulation studies. The GB configurations can be interpreted by the structural unit model as given by Nakashima and Takeuchi (2000 ISIJ 86 357). Both the GBs are composed of similar structural units of three- and five-membered rings with different densities at the interface according to the rotation angle. The interface atoms with larger atomic volumes reveal higher magnetic moments than the bulk value, while the interface atoms with shorter bond lengths have reduced magnetic moments in each GB. The charge density and local density of states reveal that the interface bonds with short bond lengths have more covalent nature, where minority-spin electrons play a dominant role as the typical nature of ferromagnetic Fe. In order to understand the structural stability of these GBs, we calculated the local energy and local stress for each atomic region using the scheme of Shiihara et al (2010 Phys. Rev. B 81 075441). In each GB, the interface atoms with larger atomic volumes and enhanced magnetic moments reveal larger local energy increase and tensile stress. The interface atoms constituting more covalent-like bonds with reduced magnetic moments have lower local energy increase, contributing to the stabilization, while compressive stress is generated at these atoms. The relative stability between the two GBs can be understood by the local energies at the structural units. The local energy and local stress analysis is a powerful tool to investigate the structural properties of GBs based on the behavior of valence electrons. (paper)

  4. 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.

  5. 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

  6. The role of local interaction mechanics in fiber optic smart structures

    Science.gov (United States)

    Sirkis, J. S.; Dasgupta, A.

    1993-04-01

    The concept of using 'smart' composite materials/structures with built-in self-diagnostic capabilities for health monitoring involves embedding discrete and/or distributed sensory networks in the host composite material, along with a central and/or distributed artificial intelligence capability for signal processing, data collection, interpretation and diagnostic evaluations. This article concentrates on the sensory functions in 'smart' structure applications and concentrates in particular on optical fiber sensors. Specifically, we present an overview of recent research dealing with the basic mechanics of local interactions between the embedded optical fiber sensors and the surrounding host composite. The term 'local' is defined by length scales on the order of several optical fiber diameters. We examine some generic issues, such as the 'calibration' and 'obtrusivity' of the sensor, and the inherent damage caused by the sensor inclusions to the surrounding host and vice-versa under internal and/or external applied loads. Analytical, numerical and experimental results are presented regarding the influence of local strain concentrations caused by the sensory inclusions on sensor and host performance. The important issues examined are the local mechanistic effects of optical fiber coatings on the behavior of the sensor and the host, and mechanical survivability of optical fibers experiencing quasi-static and time-varying thermomechanical loading.

  7. 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.

  8. 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.

  9. 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

  10. Comparative evaluation of radiation injuries in skin histological structures under local irradiation

    International Nuclear Information System (INIS)

    Kolchanova, G.M.

    1978-01-01

    In order to evaluate quantitatively to what degree the various histologic structures of the skin undergo changes after a radiation injury and during the reparative process, white rats have been used to study these changes in relation to the radiation dose and the time elapsed after exposure. The rats have been locally exposed on a single occasion to long-wave (10.2 keV) x-radiation in doses of 250, 500, 1000, or 2000 R. Greatest changes in histologic structures occured with doses of 250-1000 R on days 96-115 postexposure. With higher doses, these changes are most clearly marked as early as on day 38

  11. Local Structure and Anisotropy in the Amorphous Precursor= to Ba-Hexaferrite Thin Films

    Science.gov (United States)

    Snyder, J. E.; Harris, V. G.; Koon, N. C.; Sui, X.; Kryder, M. H.

    1996-03-01

    Ba-hexaferrite thin-films for recording media applications are commonly fabricated by a two-step process: sputter-deposition of an amorphous precursor, followed by annealing to crystallize the BaFe_12O_19 phase. The magnetic anisotropy of the crystalline films can be either in-plane or perpendicular, depending on the sputtering process used in the first step. However, conventional characterization techniques (x-ray diffraction and TEM) have been unable to observe any structure in the amorphous precursor films. In this study, such films are investigated by PD-EXAFS (polarization-dependent extended x-ray absorption fine structure). An anisotropic local ordered structure is observed around both Fe and Ba atoms in the "amorphous" films. This anisotropic local structure appears to determine the orientation of the fast-growing basal plane directions during crystallization, and thus the directions of the c-axes and the magnetic anisotropy. Results suggest that the structure of the amorphous films consists of networks made up of units of Fe atoms surrounded by their O nearest neighbors, that are connected together. Ba atoms appear to fit into in-between spaces as network-modifiers.

  12. 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.

  13. 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

    2017-10-20

    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 GeO 2 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 GeO 2 glass.

  14. 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.

  15. Investigations on the local structure and g factors for the interstitial ...

    Indian Academy of Sciences (India)

    The corresponding results (Cal.c) are shown in table 1. For comparisons, the theo- retical g factors (Cal.a) based on neglecting the local lattice distortion (i.e., the host structural parameters ρ ≈ 0.091 and δφ ≈ 3.5◦ of interstitial site are adopted) and those (Cal.b) based on neglecting the ligand contributions (i.e., taking ζ = ζ ...

  16. 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.

  17. 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....

  18. Distinct local structure of nanoparticles and nanowires of V2O5 probed by x-ray absorption spectroscopy

    Science.gov (United States)

    Joseph, B.; Iadecola, A.; Maugeri, L.; Bendele, M.; Okubo, M.; Li, H.; Zhou, H.; Mizokawa, T.; Saini, N. L.

    2013-12-01

    We have used V K-edge x-ray absorption spectroscopy to study local structures of bulk, nanoparticles and nanowires of V2O5. The extended x-ray absorption fine structure measurements show different local displacements in the three morphologically different V2O5 samples. It is found that the nanowires have a significantly ordered chain structure in comparison to the V2O5 bulk. In contrast, nanoparticles have larger interlayer disorder. The x-ray absorption near-edge structure spectra show different electronic structure that appears to be related with the local atomic disorder in the three V2O5 samples.

  19. 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.

  20. Scanning Wide-Angle Neutron Diffraction and Its Application to Local Structures Investigations in Stainless Steel

    Science.gov (United States)

    Ohoyama, Kenji; Isawa, Kazuyuki; Yamada, Kazuyoshi

    2007-12-01

    We applied a spatial scanning measurement technique to neutron diffraction on a powder diffractometer, and performed scanning wide-angle neutron diffraction (SWND) experiments to investigate local structures of materials. The SWND technique has an advantage that one can observe a diffraction pattern over a wide scattering angle range, so that the positional dependence of local crystal structures can be measured for practical durations. Moreover, because neutrons have a larger penetration depth, on the order of a few cm, than X-rays, the SWND technique provides structural information even in internal regions of materials. We succeeded in observing positional dependence of diffraction patterns from small areas (approximately 2 × 5 mm2) of a type-304 stainless steel plate with a dimension of 19.5 × 50 × 4.7 mm3 subjected to a mechanical tensile strain of 90% of the 0.2% offset yield strength. In the SWND experiments, we confirmed that the crystallographic circumstance in the strain-loaded type-304 stainless steel is not homogeneous. For instance, we observed positional deviation in the grain direction of the master-alloy austenite phase, and local distribution of the stress induced martensite phase. The SWND technique is a particularly important probe for estimating the stress-induced phase, because it non-destructively observes even the inside of bulk materials.

  1. Transition from pulsating to rocking localized structures in nonlinear dissipative distributive media with global inhibition

    Science.gov (United States)

    Niedernostheide, F.-J.; Dohmen, R.; Willebrand, H.; Kerner, B. S.; Purwins, H. G.

    1993-12-01

    We consider localized structures generated in a certain of two component reaction-diffusion system. Four different electric systems, namely reverse-biased p-n diodes, p-n-p transistors, a gas-discharge system, and an electrical network are recapitulated and it is shown that, in spite of the existence of different underlying physical mechanisms, in all cases an activator-inhibitor system is realized. If these systems are driven by an external voltage source via a load resistor, the equation for the external circuit leads to the appearance of an integral term in the reaction terms causing a nonlocal additional inhibiting component. Numerical calculations of the equation's system with the simplest reaction terms show exemplarily that there is a critical value of the load resistor in such systems: While below this critical value besides static only pulsating localized structures appear, for values larger than the critical one instead of pulsating only rocking localized structures can be stabilized. Near the critical resistor value we observe patterns composed of pulsating and rocking modes.

  2. Structural imperfections and attendant localized/itinerant ferromagnetism in ZnO nanoparticles

    Science.gov (United States)

    Yang, Chao-Yao; Lu, Yi-Hsuan; Lin, Wei-Hao; Lee, Min-Han; Hsu, Yung-Jung; Tseng, Yuan-Chieh

    2014-08-01

    Using synchrotron-based x-ray magnetic spectroscopy, we report a study focusing on the local symmetry of Cu-dopant and resultant structural imperfections in mediating Cu-doped ZnO nanoparticles' ferromagnetism (FM). Prepared by an antisolvent method, Cu appeared to preferably populate on the basal plane of ZnO with a local symmetry of [CuO4]. This unique symmetry was antiferromagnetic in nature, while electronically and structurally coupled to surrounded oxygen vacancies (Vo) that yielded a localized FM, because of a strong dependency on the number/location of the [CuO4] symmetry. Surprisingly, the FM of undoped but oxygen-deficient ZnO appeared to be more itinerant and long-range, where Vo percolated the FM effectively and isotropically through oxygen's delocalized orbital. By adopting the approach of structural imperfection, this study clearly identifies Vo's (defect's) true characters in mediating the FM of magnetic semiconductors which has been thought of as a long-standing debate, and thus provides a different thinking about the traditional extrinsic ferromagnetic-tuning in the semiconductors. It even illuminates recent research concerning the intrinsic FM of low-dimensional systems that contain defects but non-magnetic elements.

  3. 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

  4. 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

  5. Structural brain network analysis of children with localization-related epilepsy.

    Science.gov (United States)

    Takeda, Kanako; Matsuda, Hiroshi; Miyamoto, Yusaku; Yamamoto, Hitoshi

    2017-09-01

    Epilepsy is considered to arise from dysfunction in neural networks. Recent advances in neuroimaging and its analysis have made it possible to investigate both functional and structural connectivity in the brain. The aim of this study was to elucidate alterations in the structural connectivity in children with localization-related epilepsy using the mathematical method of graph theoretical analysis. Fifteen children with localization-related epilepsy (8 female subjects; mean age, 8.5±3.5years) as an epilepsy group and 23 children without a history of seizure (12 female subjects; mean age, 8.9±3.7years) as a control group underwent three-dimensional T1-weighted brain magnetic resonance imaging (MRI). Gray matter images segmented and spatially normalized from the MRIs of both groups were analyzed using statistical parametric mapping with the Graph Analysis Toolbox. We compared global networks (global efficiency, clustering coefficient and network strength) and regional networks (betweenness centrality and clustering) between patients and controls. The global efficiency tended to be increased (p=0.081) and the global modularity was significantly increased (p=0.017) in the epilepsy group as compared with the control group. The epilepsy group showed locally decreased betweenness centrality mainly in the bilateral cingulate gyri, right perisylvian area, and bilateral precentral gyri, and locally increased clustering in the bilateral cingulate gyri, right perisylvian area, and medial frontal lobes as compared with the control group. The epilepsy group showed higher network resilience to random attack and targeted attack than the control group. Voxel-based morphometry did not show any difference between the two groups. We observed globally increased structural connectivity along with excessive network robustness in patients with localization-related epilepsy. Local abnormality of connectivity was observed mainly in the cingulate gyrus, perisylvian area, and precentral

  6. ARX model-based damage sensitive features for structural damage localization using output-only measurements

    Science.gov (United States)

    Roy, Koushik; Bhattacharya, Bishakh; Ray-Chaudhuri, Samit

    2015-08-01

    The study proposes a set of four ARX model (autoregressive model with exogenous input) based damage sensitive features (DSFs) for structural damage detection and localization using the dynamic responses of structures, where the information regarding the input excitation may not be available. In the proposed framework, one of the output responses of a multi-degree-of-freedom system is assumed as the input and the rest are considered as the output. The features are based on ARX model coefficients, Kolmogorov-Smirnov (KS) test statistical distance, and the model residual error. At first, a mathematical formulation is provided to establish the relation between the change in ARX model coefficients and the normalized stiffness of a structure. KS test parameters are then described to show the sensitivity of statistical distance of ARX model residual error with the damage location. The efficiency of the proposed set of DSFs is evaluated by conducting numerical studies involving a shear building and a steel moment-resisting frame. To simulate the damage scenarios in these structures, stiffness degradation of different elements is considered. It is observed from this study that the proposed set of DSFs is good indicator for damage location even in the presence of damping, multiple damages, noise, and parametric uncertainties. The performance of these DSFs is compared with mode shape curvature-based approach for damage localization. An experimental study has also been conducted on a three-dimensional six-storey steel moment frame to understand the performance of these DSFs under real measurement conditions. It has been observed that the proposed set of DSFs can satisfactorily localize damage in the structure.

  7. 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

  8. The relative importance of regional, local, and evolutionary factors structuring cryptobenthic coral-reef assemblages

    Science.gov (United States)

    Ahmadia, Gabby N.; Tornabene, Luke; Smith, David J.; Pezold, Frank L.

    2018-03-01

    Factors shaping coral-reef fish species assemblages can operate over a wide range of spatial scales (local versus regional) and across both proximate and evolutionary time. Niche theory and neutral theory provide frameworks for testing assumptions and generating insights about the importance of local versus regional processes. Niche theory postulates that species assemblages are an outcome of evolutionary processes at regional scales followed by local-scale interactions, whereas neutral theory presumes that species assemblages are formed by largely random processes drawing from regional species pools. Indo-Pacific cryptobenthic coral-reef fishes are highly evolved, ecologically diverse, temporally responsive, and situated on a natural longitudinal diversity gradient, making them an ideal group for testing predictions from niche and neutral theories and effects of regional and local processes on species assemblages. Using a combination of ecological metrics (fish density, diversity, assemblage composition) and evolutionary analyses (testing for phylogenetic niche conservatism), we demonstrate that the structure of cryptobenthic fish assemblages can be explained by a mixture of regional factors, such as the size of regional species pools and broad-scale barriers to gene flow/drivers of speciation, coupled with local-scale factors, such as the relative abundance of specific microhabitat types. Furthermore, species of cryptobenthic fishes have distinct microhabitat associations that drive significant differences in assemblage community structure between microhabitat types, and these distinct microhabitat associations are phylogenetically conserved over evolutionary timescales. The implied differential fitness of cryptobenthic fishes across varied microhabitats and the conserved nature of their ecology are consistent with predictions from niche theory. Neutral theory predictions may still hold true for early life-history stages, where stochastic factors may be more

  9. 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.

  10. Experimental observation of stochastic, periodic, and localized light structures in a brillouin cavity system

    Science.gov (United States)

    Ding, Yingchun; Feng, Qi; Zhang, Bin; Liu, Zhongxuan; Tang, Xin; Lin, Chengyou; Chen, Zhaoyang

    2017-06-01

    It has been an important research subject to find new nonlinear optical phenomena. In this paper, we report the experimental observation of stochastic, periodic, and localized light structures in a super long single-mode standard fiber with external optical feedback provided by the fiber end. The end facet reflection provides an analogous Fabry-Perot stimulated Brillouin resonator cavity. By increasing the pump power to exceed stimulated Brillouin scattering threshold, we observed light structures exhibiting extremely rich temporal-pulse characteristics that had never been reported in literature before, including supercontinuum background generation, the localization of periodic optical structure formation, fission, and compression. These optical structures are of period-doubling distribution and have different recurrence rates. What is more interesting is that we have observed sets of low frequency bipolar cycle-pulse trains that is often seen in the electrical field and hardly seen in pure optical system. Real-time specification of dynamical temporal regimes of laser operation may bring new insight into rich underlying nonlinear physics of practical fiber cavity systems. Therefore, some new nonlinear optical phenomena have been observed.

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

    Directory of Open Access Journals (Sweden)

    Bo Wang

    2017-10-01

    Full Text Available 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.

  12. 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.

  13. 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.

  14. Local structure of Ge quantum dots determined by combined numerical analysis of EXAFS and XANES data.

    Science.gov (United States)

    Zhang, Yuanpeng; Ersoy, Osman; Karatutlu, Ali; Little, William; Sapelkin, Andrei

    2016-01-01

    The sensitivity of X-ray absorption near-edge structure (XANES) to the local symmetry has been investigated in small (∼4 nm) matrix-free Ge quantum dots. The FDMNES package was used to calculate the theoretical XANES spectra that were compared with the experimental data of as-prepared and annealed nanoparticles. It was found that XANES data for an as-prepared sample can only be adequately described if the second coordination shell of the diamond-type structural model is included in the FDMNES calculations. This is in contrast to the extended X-ray absorption fine-structure data that show only the first-shell signal. These results suggest that, despite the high degree of disorder and a large surface-to-volume ratio, as-prepared small Ge quantum dots retain the diamond-type symmetry beyond the first shell. Furthermore, we utilized this sensitivity of XANES to the local symmetry to study annealed Ge quantum dots and found evidence for significant structural distortion which we attribute to the existence of surface disorder in the annealed oxygen-free Ge quantum dots.

  15. Bi4TaO8Cl Nano-Photocatalyst: Influence of Local, Average, and Band Structure.

    Science.gov (United States)

    Bhat, Swetha S M; Swain, Diptikanta; Feygenson, Mikhail; Neuefeind, Joerg C; Mishra, Abhishek K; Hodala, Janardhan L; Narayana, Chandrabhas; Shanbhag, Ganapati V; Sundaram, Nalini G

    2017-05-15

    The average structure, local structure, and band structure of nanoparticles of photocatalyst Bi 4 TaO 8 Cl, an Aurivillius-Sillen layered material, has been studied by powder neutron Rietveld refinement, neutron pair distribution function technique, Raman scattering, and density functional theory calculations. A significant local structural deviation of nano-Bi 4 TaO 8 Cl was established in contrast to the local structure of bulk-Bi 4 TaO 8 Cl. Local structure was further supported by Raman scattering measurements. Through DFT calculations, we identify specific features in the electronic band structure that correlate lower secondary structural distortions in nano-Bi 4 TaO 8 Cl. Increased distortion of TaO 6 , decreased Ta-O-Ta bond angle, and increased octahedral tilt in the local structure of nano-Bi 4 TaO 8 Cl influence the band structure and the electron hole pair migration. Therefore, in addition to morphology and size, the local structure of a nanomaterial contributes to the photocatalytic performance. Trapping experiments confirm the role of superoxide radical in the photocatalysis mechanism of this material. Such studies help in developing new functional materials with better photocatalytic efficiency to address energy and environmental issues.

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

    International Nuclear Information System (INIS)

    López, Rodrigo A.; Muñoz, Víctor; Viñas, Adolfo F.; Valdivia, Juan A.

    2015-01-01

    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

  17. 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

  18. 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.

  19. Localized heuristic inverse quantitative structure activity relationship with bulk descriptors using numerical gradients.

    Science.gov (United States)

    Stålring, Jonna; Almeida, Pedro R; Carlsson, Lars; Helgee Ahlberg, Ernst; Hasselgren, Catrin; Boyer, Scott

    2013-08-26

    State-of-the-art quantitative structure-activity relationship (QSAR) models are often based on nonlinear machine learning algorithms, which are difficult to interpret. From a pharmaceutical perspective, QSARs are used to enhance the chemical design process. Ultimately, they should not only provide a prediction but also contribute to a mechanistic understanding and guide modifications to the chemical structure, promoting compounds with desirable biological activity profiles. Global ranking of descriptor importance and inverse QSAR have been used for these purposes. This paper introduces localized heuristic inverse QSAR, which provides an assessment of the relative ability of the descriptors to influence the biological response in an area localized around the predicted compound. The method is based on numerical gradients with parameters optimized using data sets sampled from analytical functions. The heuristic character of the method reduces the computational requirements and makes it applicable not only to fragment based methods but also to QSARs based on bulk descriptors. The application of the method is illustrated on congeneric QSAR data sets, and it is shown that the predicted influential descriptors can be used to guide structural modifications that affect the biological response in the desired direction. The method is implemented into the AZOrange Open Source QSAR package. The current implementation of localized heuristic inverse QSAR is a step toward a generally applicable method for elucidating the structure activity relationship specifically for a congeneric region of chemical space when using QSARs based on bulk properties. Consequently, this method could contribute to accelerating the chemical design process in pharmaceutical projects, as well as provide information that could enhance the mechanistic understanding for individual scaffolds.

  20. Local structure of Th1-xMO2 solid solutions (M = U, Pu)

    International Nuclear Information System (INIS)

    Hubert, S.; Heisbourg, G.; Moisy, Ph.; Dacheux, N.; Purans, J.E.

    2004-01-01

    X-ray absorption spectroscopy of Th 1-x U x O 2 and Th 1-x Pu x O 2 solid solutions was carried out on the Th, U L 3 -edges, and Pu L 3 edge to study the local structure environment of actinide mixed oxides. Various compositions of Th 1-x M x O 2 solid solutions have been prepared through the coprecipitation of the mixed oxalates from chloride or nitrate solutions: x = 0.11, 0.24, 0.37, 0.53, 0.67, 0.81, 0.91 and 1 for Th 1-x U x O 2 , and x = 0.13, 0.32, 0.66 and 1 for Th 1-x Pu x O 2 . They were characterized using X- ray diffraction. XRD analysis allowed to confirm that the variation of the lattice parameters varies linearly with the composition between the end members, suggesting that the atomic volume was conserved regardless of the details of the local distortions of the lattice, following the Vegard's law. Extending X-ray absorption fine structure (EXAFS) provides a direct characterization of the local distortions present in solid solutions. We found that opposite to the lattice parameter obtained by XRD, the interatomic distances given by EXAFS do not follow completely to neither the Vegard's law nor the virtual crystal approximation (VCA). However, the average lattice parameter obtained from EXAFS data for the first and the second shells agrees well with the one calculated from XRD data. (authors)

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Structural "δ Doping" to Control Local Magnetization in Isovalent Oxide Heterostructures

    Science.gov (United States)

    Moon, E. J.; He, Q.; Ghosh, S.; Kirby, B. J.; Pantelides, S. T.; Borisevich, A. Y.; May, S. J.

    2017-11-01

    Modulation and δ -doping strategies, in which atomically thin layers of charged dopants are precisely deposited within a heterostructure, have played enabling roles in the discovery of new physical behavior in electronic materials. Here, we demonstrate a purely structural "δ -doping" strategy in complex oxide heterostructures, in which atomically thin manganite layers are inserted into an isovalent manganite host, thereby modifying the local rotations of corner-connected MnO6 octahedra. Combining scanning transmission electron microscopy, polarized neutron reflectometry, and density functional theory, we reveal how local magnetic exchange interactions are enhanced within the spatially confined regions of suppressed octahedral rotations. The combined experimental and theoretical results illustrate the potential to utilize noncharge-based approaches to "doping" in order to enhance or suppress functional properties within spatially confined regions of oxide heterostructures.

  6. 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.

  7. Hierarchical mechanism of development of wealth and structure for a premodern local society.

    Science.gov (United States)

    Matsuo, Miki Y

    2011-06-01

    We propose a hierarchical model of social development composed of two associated hierarchies, each of which describes economic and noneconomic activities in society, respectively. The model is designed to explain the development of wealth distribution and social structure over 50 years in a premodern Japanese local society. Data analysis shows that the wealth distribution has a well-known universal power-law tail throughout the observed period, while the Pareto index gradually decreases with time. We further show that the noneconomic social properties, such as the household number, average family size, and number of collaterals in a household, of the local society, also have decreasing or increasing trends throughout the observed period. We show that the hierarchical model consistently demonstrates the correlations of these economic and noneconomic properties.

  8. Study of Local and Distortional Stability of Thin-Walled Structures

    Directory of Open Access Journals (Sweden)

    Imene Mahi

    2018-01-01

    Full Text Available Thin-walled structures have an increasingly large and growing field of application in the engineering sector, the goal behind using this type of structure is efficiency in terms of resistance and cost, however the stability of its components (the thin walls remains the first aspect of the behavior, and a primordial factor in the design process. The hot rolled sections are known by a consequent post-buckling reserve, cold-formed steel sections which are thin-walled elements also benefit, in this case, it seems essential to take into account the favorable effects of this reserve in to the verification procedure of the resistance with respect to the three modes of failures of this type of structure. The design method that takes into account this reserve of resistance is inevitably the effective width method. The direct strength method has been developed to improve the speed and efficiency of the design of thin-walled profiles. The latter mainly uses the buckling loads (for Local, Distortional and Global mode obtained from a numerical analysis and the resistance curves calibrated experimentally to predict the ultimate load of the profile. Among those, the behavior of a set of Cshaped profiles (highly industrialized is studied, this type of section is assumed to be very prone to modes of local and distortional instability. The outcome of this investigation revealed very relevant conclusions both scientifically and practically.

  9. 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.

  10. Local Structure of the Amorphous Precursor to Ba-Hexaferrite Thin Films: An Anisotropic Octahedral Fe-O Glass Network

    Science.gov (United States)

    Snyder, J. E.; Harris, V. G.; Koon, N. C.; Sui, X.; Kryder, M. H.

    1996-10-01

    Anisotropic local structure has been observed around both the Fe and Ba ions in the amorphous precursor to Ba-hexaferrite thin films, using polarization-dependent extended x-ray-absorption fine structure. This anisotropic local structure, consisting mainly of a network of Fe-O octahedra, determines the orientation of the fast-growing basal planes during crystallization, and thus the directions of the c axes and the resulting magnetic anisotropy.

  11. 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

  12. Local atomic and crystal structure rearrangement during the martensitic transformation in Ti50Ni25Cu25 shape memory alloy

    International Nuclear Information System (INIS)

    Menushenkov, Alexey; Grishina, Olga; Shelyakov, Alexander; Yaroslavtsev, Alexander; Zubavichus, Yan; Veligzhanin, Alexey; Bednarcik, Jozef; Chernikov, Roman; Sitnikov, Nikolay

    2014-01-01

    Highlights: • Local crystalline structure of TiNiCu SMA is investigated using EXAFS. • Peculiarities of Ni and Cu local environment are found. • Ti atoms show greater mobility relative to Ni atoms. • Ni local environment change is significant for shape memory effect. -- Abstract: The changes of crystal structure and local crystalline environment of Ti, Ni and Cu atoms in Ti 50 Ni 25 Cu 25 shape memory alloy are investigated using X-ray diffraction and extended X-ray absorption fine structure spectroscopy (EXAFS) in temperature range of martensite transformation. The analysis of the EXAFS-spectra shows that the bonds involving Ni atoms have the highest degree of disorder and the change in the local environment around Ni atoms is significant for the occurrence of the shape memory effect, while Cu atoms occupy the normal positions in the crystallographic structure and have the lowest displacement amplitude leading to the stabilization of both phases

  13. Electronic structure and local magnetism of 3d–5d impurity substituted CeFe2

    International Nuclear Information System (INIS)

    Das, Rakesh; Srivastava, S K; Das, G P

    2016-01-01

    We present here a systematic first-principles study of electronic structure and local magnetic properties of Ce[Fe 0.75 M 0.25 ] 2 compounds, where M is a 3d, 4d or 5d transition or post-transition element, using the generalized gradient approximation of the density functional theory. The d–f band hybridizations existing in CeFe 2 get modified by the impurity M in an orderly manner across a period for each impurity series: the hybridization is strongest for the Mn group impurity in the period and gets diminished on either side of it. The weakening of the d–f hybridization strength is also associated with a relative localization of the Ce 4f states with respect to the delocalized 4f states in CeFe 2 . The above effects are most prominent for 3d impurity series, while for 4d and 5d impurities, the hybridizations and relocalizations are relatively weak due primarily to the relatively extended nature of 4d and 5d wavefunctions. The Ce local moment is found to decrease from the CeFe 2 value in proportion to the strength of relocalization, thus following almost the same orderly trend as obeyed by the d–f hybridization. Further, depending on the way the spin-up and spin-down densities of states of an impurity shift relative to the Fermi energy, the impurity local moments are highest for Mn or Fe group, reduce on either side, become zero for Ni to Ga, and are small but negative for V and Ti. The Ce hyperfine field is found to follow the M local moment in a linear fashion, and vice–versa. (paper)

  14. 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

  15. Quantum group structure and local fields in the algebraic approach to 2D gravity

    CERN Document Server

    Schnittger, Jens

    1994-01-01

    This review contains a summary of work by J.-L. Gervais and the author on the operator approach to 2d gravity. Special emphasis is placed on the construction of local observables -the Liouville exponentials and the Liouville field itself - and the underlying algebra of chiral vertex operators. The double quantum group structure arising from the presence of two screening charges is discussed and the generalized algebra and field operators are derived. In the last part, we show that our construction gives rise to a natural definition of a quantum tau function, which is a noncommutative version of the classical group-theoretic representation of the Liouville fields by Leznov and Saveliev.

  16. Advanced Twisted Pair Cables for Distributed Local Area Networks in Intelligent Structure Systems

    Science.gov (United States)

    Semenov, Andrey

    2018-03-01

    The possibility of a significant increase in the length of cable communication channels of local area networks of automation and engineering support systems of buildings in the case of their implementation on balanced twisted pair cables is shown. Assuming a direct connection scheme and an effective speed of 100 Mbit/s, analytical relationships are obtained for the calculation of the maximum communication distance. The necessity of using in the linear part of such systems of twisted pair cables with U/UTP structure and interference parameters at the level of category 5e is grounded.

  17. 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.

  18. 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

    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......Sensitivity (gradient) of a structural eigenfrequency with respect to a change in density (thickness) of a sub-domain is derived in a simple explicit form. The sub-domain is often an element of a finite element (FE) model, but may be a broader sub-domain, say with a group of elements. This simple...... 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...

  19. Design and fabrication of structural color by local surface plasmonic meta-molecules

    International Nuclear Information System (INIS)

    Ma Ya-Qi; Shao Jin-Hai; Lu Bing-Rui; Zhang Si-Chao; Chen Yi-Fang; Zhang Ya-Feng; Sun Yan; Qu Xin-Ping

    2015-01-01

    In this paper, we propose a new form of nanostructures with Al film deposited on a patterned dielectric material for generating structural color, which is induced by local surface plasmonic resonant (LSPR) absorption in sub-wavelength-indented hole/ring arrays. Unlike other reported results obtained by using focus ion beam (FIB) to create metallic nanostructures, the nano-sized hole/ring arrays in Al film in this work are replicated by high resolution electron beam lithography (EBL) combined with self-aligned metallization. Clear structural color is observed and systematically studied by numerical simulations as well as optical characterizations. The central color is strongly related to the geometric size, which provides us with good opportunities to dye the colorless Al surface by controlling the hole/ring dimensions (both diameter and radius), and to open up broad applications in display, jewelry decoration, green production of packing papers, security code, and counterfeits prevention. (paper)

  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. Optimal sensor placement for maximum area coverage (MAC) for damage localization in composite structures

    Science.gov (United States)

    Thiene, M.; Sharif Khodaei, Z.; Aliabadi, M. H.

    2016-09-01

    In this paper an optimal sensor placement algorithm for attaining the maximum area coverage (MAC) within a sensor network is presented. The proposed novel approach takes into account physical properties of Lamb wave propagation (attenuation profile, direction dependant group velocity due to material anisotropy) and geometrical complexities (boundary reflections, presence of openings) of the structure. A feature of the proposed optimization approach lies in the fact that it is independent of characteristics of the damage detection algorithm (e.g. probability of detection) making it readily up-scalable to large complex composite structures such as aircraft stiffened composite panel. The proposed fitness function (MAC) is independent of damage parameters (type, severity, location). Statistical analysis carried out shows that the proposed optimum sensor network with MAC results in high probability of damage localization. Genetic algorithm is coupled with the fitness function to provide an efficient optimization strategy.

  2. Magnetic Doppler imaging considering atmospheric structure modifications due to local abundances: a luxury or a necessity?

    Science.gov (United States)

    Kochukhov, O.; Wade, G. A.; Shulyak, D.

    2012-04-01

    Magnetic Doppler imaging is currently the most powerful method of interpreting high-resolution spectropolarimetric observations of stars. This technique has provided the very first maps of stellar magnetic field topologies reconstructed from time series of full Stokes vector spectra, revealing the presence of small-scale magnetic fields on the surfaces of Ap stars. These studies were recently criticised by Stift et al., who claimed that magnetic inversions are not robust and are seriously undermined by neglecting a feedback on the Stokes line profiles from the local atmospheric structure in the regions of enhanced metal abundance. We show that Stift et al. misinterpreted published magnetic Doppler imaging results and consistently neglected some of the most fundamental principles behind magnetic mapping. Using state-of-the-art opacity sampling model atmosphere and polarized radiative transfer codes, we demonstrate that the variation of atmospheric structure across the surface of a star with chemical spots affects the local continuum intensity but is negligible for the normalized local Stokes profiles except for the rare situation of a very strong line in an extremely Fe-rich atmosphere. For the disc-integrated spectra of an Ap star with extreme abundance variations, we find that the assumption of a mean model atmosphere leads to moderate errors in Stokes I but is negligible for the circular and linear polarization spectra. Employing a new magnetic inversion code, which incorporates the horizontal variation of atmospheric structure induced by chemical spots, we reconstructed new maps of magnetic field and Fe abundance for the bright Ap star α2 CVn. The resulting distribution of chemical spots changes insignificantly compared to the previous modelling based on a single model atmosphere, while the magnetic field geometry does not change at all. This shows that the assertions by Stift et al. are exaggerated as a consequence of unreasonable assumptions and

  3. VP-Nets : Efficient automatic localization of key brain structures in 3D fetal neurosonography.

    Science.gov (United States)

    Huang, Ruobing; Xie, Weidi; Alison Noble, J

    2018-04-23

    Three-dimensional (3D) fetal neurosonography is used clinically to detect cerebral abnormalities and to assess growth in the developing brain. However, manual identification of key brain structures in 3D ultrasound images requires expertise to perform and even then is tedious. Inspired by how sonographers view and interact with volumes during real-time clinical scanning, we propose an efficient automatic method to simultaneously localize multiple brain structures in 3D fetal neurosonography. The proposed View-based Projection Networks (VP-Nets), uses three view-based Convolutional Neural Networks (CNNs), to simplify 3D localizations by directly predicting 2D projections of the key structures onto three anatomical views. While designed for efficient use of data and GPU memory, the proposed VP-Nets allows for full-resolution 3D prediction. We investigated parameters that influence the performance of VP-Nets, e.g. depth and number of feature channels. Moreover, we demonstrate that the model can pinpoint the structure in 3D space by visualizing the trained VP-Nets, despite only 2D supervision being provided for a single stream during training. For comparison, we implemented two other baseline solutions based on Random Forest and 3D U-Nets. In the reported experiments, VP-Nets consistently outperformed other methods on localization. To test the importance of loss function, two identical models are trained with binary corss-entropy and dice coefficient loss respectively. Our best VP-Net model achieved prediction center deviation: 1.8 ± 1.4 mm, size difference: 1.9 ± 1.5 mm, and 3D Intersection Over Union (IOU): 63.2 ± 14.7% when compared to the ground truth. To make the whole pipeline intervention free, we also implement a skull-stripping tool using 3D CNN, which achieves high segmentation accuracy. As a result, the proposed processing pipeline takes a raw ultrasound brain image as input, and output a skull-stripped image with five detected key brain

  4. Experimental studies on local damage of reinforced concrete structures by the impact of deformable missiles-Part 1

    International Nuclear Information System (INIS)

    Muto, K.; Tachikawa, H.; Sugano, T.; Tsubota, H.; Kobayshi, H.; Kasai, Y.; Koshika, N.; Tsujimoto, T.

    1989-01-01

    Structural damage induced by an accidental aircraft crash into a reinforced concrete structure includes local damage caused by the engine, the rigid portion of the aircraft, and the global elasto-plastic structural response caused by the entire aircraft. Local damage consists of spalling of concrete from the front face of the target together with missile penetration into the target, scabbing of concrete from the rear face of the target and perforation of the missile through the target. The engine is a soft missile that deforms during impact. An experimental research program has been planned and executed to establish a rational evaluation method of the local damage by the deformable engine missiles

  5. 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.

  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. The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy

    Science.gov (United States)

    Brühne, S.; Uhrig, E.; Gross, C.; Assmus, W.; Masadeh, A. S.; Billinge, S. J. L.

    2005-03-01

    A local and medium range atomic structure model for the face centred icosahedral (fci) Mg25Y11Zn64 alloy has been established in a sphere of r = 27 Å. The model was refined by least squares techniques using the atomic pair distribution (PDF) function obtained from synchrotron powder diffraction. Three hierarchies of the atomic arrangement can be found: (i) five types of local coordination polyhedra for the single atoms, four of which are of Frank-Kasper type. In turn, they (ii) form a three-shell (Bergman) cluster containing 104 atoms, which is condensed sharing its outer shell with its neighbouring clusters, and (iii) a cluster connecting scheme corresponding to a three-dimensional tiling leaving space for a few glue atoms. Inside adjacent clusters, Y8 cubes are tilted with respect to each other and thus allow for overall icosahedral symmetry. It is shown that the title compound is essentially isomorphic to its holmium analogue. Therefore, fci-Mg-Y-Zn can be seen as the representative structure type for the other rare earth analogues fci-Mg-Zn-RE (RE = Dy, Er, Ho, Tb) reported in the literature.

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

    Science.gov (United States)

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

    2013-10-01

    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. Copyright © 2013 Elsevier Inc. All rights reserved.

  9. The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy

    International Nuclear Information System (INIS)

    Bruehne, S; Uhrig, E; Gross, C; Assmus, W; Masadeh, A S; Billinge, S J L

    2005-01-01

    A local and medium range atomic structure model for the face centred icosahedral (fci) Mg 25 Y 11 Zn 64 alloy has been established in a sphere of r = 27 A. The model was refined by least squares techniques using the atomic pair distribution (PDF) function obtained from synchrotron powder diffraction. Three hierarchies of the atomic arrangement can be found: (i) five types of local coordination polyhedra for the single atoms, four of which are of Frank-Kasper type. In turn, they (ii) form a three-shell (Bergman) cluster containing 104 atoms, which is condensed sharing its outer shell with its neighbouring clusters, and (iii) a cluster connecting scheme corresponding to a three-dimensional tiling leaving space for a few glue atoms. Inside adjacent clusters, Y 8 cubes are tilted with respect to each other and thus allow for overall icosahedral symmetry. It is shown that the title compound is essentially isomorphic to its holmium analogue. Therefore, fci-Mg-Y-Zn can be seen as the representative structure type for the other rare earth analogues fci-Mg-Zn-RE (RE = Dy, Er, Ho, Tb) reported in the literature

  10. Biomolecular structure refinement based on adaptive restraints using local-elevation simulation

    International Nuclear Information System (INIS)

    Christen, Markus; Keller, Bettina; Gunsteren, Wilfred F. van

    2007-01-01

    Introducing experimental values as restraints into molecular dynamics (MD) simulation to bias the values of particular molecular properties, such as nuclear Overhauser effect intensities or distances, dipolar couplings, 3 J-coupling constants, chemical shifts or crystallographic structure factors, towards experimental values is a widely used structure refinement method. Because multiple torsion angle values φ correspond to the same 3 J-coupling constant and high-energy barriers are separating those, restraining 3 J-coupling constants remains difficult. A method to adaptively enforce restraints using a local elevation (LE) potential energy function is presented and applied to 3 J-coupling constant restraining in an MD simulation of hen egg-white lysozyme (HEWL). The method successfully enhances sampling of the restrained torsion angles until the 37 experimental 3 J-coupling constant values are reached, thereby also improving the agreement with the 1,630 experimental NOE atom-atom distance upper bounds. Afterwards the torsional angles φ are kept restrained by the built-up local-elevation potential energies

  11. 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

    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...... from global optimization, which have only recently become available, for solving the problems in the sequence. Numerical examples of topology design problems of continuum structures with local stress and displacement constraints are presented.......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...... 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...

  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. Comparison between continuous and localized methods to evaluate the flow rate through containment concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Jason, L., E-mail: ludovic.jason@cea.fr [Atomic Energy Commission (CEA), DEN, DANS, DM2S, SEMT, Mechanics and System Simulation Laboratory (LM2S), F-91191 Gif sur Yvette (France); LaMSID, UMR CNRS-EDF-CEA 8193, F-92141 Clamart (France); Masson, B. [Electricité de France (EDF), SEPTEN, F-69628 Villeurbanne (France)

    2014-10-01

    Highlights: • The contribution focuses on the gas transfer through reinforced concrete structures. • A continuous approach with a damage–permeability law is investigated. • It is significant, for this case, only when the damage variable crosses the section. • In this case, two localized approaches are compared. • It helps at evaluating a “reference” crack opening for engineering laws. - Abstract: In this contribution, different techniques are compared to evaluate the gas flow rate through a representative section of a reinforced and prestressed concrete containment structure. A continuous approach is first applied which is based on the evaluation of the gas permeability as a function of the damage variable. The calculations show that the flow rate becomes significant only when the damage variable crosses the section. But in this situation, the continuous approach is no longer fully valid. That is why localized approaches, based on a fine description of the crack openings, are then investigated. A comparison between classical simplified laws (Poiseuille flow) and a more refined model which takes into account the evolution of the crack opening in the depth of the section enables to define the validity domain of the simplified laws and especially the definition of the associated “reference opening”.

  14. Robust structural damage detection and localization based on joint approximate diagonalization technique in frequency domain

    Science.gov (United States)

    Cao, Shancheng; Ouyang, Huajiang

    2017-01-01

    The structural characteristic deflection shapes (CDS’s) such as mode shapes and operational deflection shapes are highly sensitive to structural damage in beam- or plate-type structures. Nevertheless, they are vulnerable to measurement noise and could result in unacceptable identification errors. In order to increase the accuracy and noise robustness of damage identification based on CDS’s using vibration responses of random excitation, joint approximate diagonalization (JAD) technique and gapped smoothing method (GSM) are combined to form a sensitive and robust damage index (DI), which can simultaneously detect the existence of damage and localize its position. In addition, it is possible to apply this approach to damage identification of structures under ambient excitation. First, JAD method which is an essential technique of blind source separation is investigated to simultaneously diagonalize a set of power spectral density matrices corresponding to frequencies near a certain natural frequency to estimate a joint unitary diagonalizer. The columns of this joint diagonalizer contain dominant CDS’s. With the identified dominant CDS’s around different natural frequencies, GSM is used to extract damage features and a robust damage identification index is then proposed. Numerical and experimental examples of beams with cracks are used to verify the validity and noise robustness of JAD based CDS estimation and the proposed DI. Furthermore, damage identification using dominant CDS’s estimated by JAD method is demonstrated to be more accurate and noise robust than by the commonly used singular value decomposition method.

  15. 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.

  16. Electrical activation and local structure of Se atoms in ion-implanted indium phosphide

    International Nuclear Information System (INIS)

    Yu, K.M.; Chan, N.; Hsu, L.

    1996-01-01

    The solid phase regrowth, dopant activation, and local environments of Se-implanted InP are investigated with ion-beam techniques and extended x-ray-absorption fine structure spectroscopy. We find that the local Se endash In structure is already established in the as-implanted amorphous InP although the Se atoms have a lower average coordination number (∼3.5) and no long-range order. After high-temperature rapid thermal annealing (950 degree C, 5 s), the amorphous InP regrows, becoming a single crystal with the Se atoms bonded to four In neighbors; however, only ∼50% of the Se becomes electrically active. Part of the Se precipitates in the form of an In endash Se phase, another part is compensated by defects which are not totally removed by annealing. The Se emdash In bond distance for a Se on a P site is 4.5% longer than the matrix In emdash P bond length, introducing large strains in the crystal. The solid solubility of Se in InP is estimated from our results to be ≅8.7x10 19 /cm 3 while the electron concentration saturates at 5.4x10 19 /cm 3 . Se atoms in InP regrown at lower temperatures in a furnace are only ∼7% electrically active and are found to have different local environments (higher coordination number and shorter bond distance) than those in the InP perfectly regrown at higher temperature. copyright 1996 American Institute of Physics

  17. Engineering characterization of ground motion. Task II. Effects of ground motion characteristics on structural response considering localized structural nonlinearities and soil-structure interaction effects. Volume 2

    International Nuclear Information System (INIS)

    Kennedy, R.P.; Kincaid, R.H.; Short, S.A.

    1985-03-01

    This report presents the results of part of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. Task I of the study, which is presented in NUREG/CR-3805, Vol. 1, developed a basis for selecting design response spectra taking into account the characteristics of free-field ground motion found to be significant in causing structural damage. Task II incorporates additional considerations of effects of spatial variations of ground motions and soil-structure interaction on foundation motions and structural response. The results of Task II are presented in four parts: (1) effects of ground motion characteristics on structural response of a typical PWR reactor building with localized nonlinearities and soil-structure interaction effects; (2) empirical data on spatial variations of earthquake ground motion; (3) soil-structure interaction effects on structural response; and (4) summary of conclusions and recommendations based on Tasks I and II studies. This report presents the results of the first part of Task II. The results of the other parts will be presented in NUREG/CR-3805, Vols. 3 to 5

  18. 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

  19. Complementary information on CdSe/ZnSe quantum dot local structure from extended X-ray absorption fine structure and diffraction anomalous fine structure measurements

    International Nuclear Information System (INIS)

    Piskorska-Hommel, E.; Holý, V.; Caha, O.; Wolska, A.; Gust, A.; Kruse, C.; Kröncke, H.; Falta, J.; Hommel, D.

    2012-01-01

    The extended X-ray absorption fine structure (EXAFS) and diffraction anomalous fine structure (DAFS) have been applied to investigate a local structure for the CdSe/ZnSe quantum dots grown by molecular beam epitaxy (MBE) and migration-enhanced epitaxy (MEE). The aim was to study the intermixing of Cd and Zn atoms, chemical compositions and strain induced by cap-layer. The EXAFS at the Cd K-edge and DAFS at the Se K-edge proved the intermixing of Cd and Zn atoms. The distances Cd–Se (2.61 Å) found from EXAFS and DAFS analysis for h 1 region is closer to that in bulk CdSe (2.62 Å). The DAFS analysis revealed the differences in the local structure in two investigated regions (i.e. different iso-strain volumes) on the quantum dots. It was found that the investigated areas differ in the Cd concentration. To explain the experimental results the theoretical calculation based on a full valence-force field (VFF) model was performed. The theoretical VFF model fully explains the experimental data.

  20. 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

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

    Science.gov (United States)

    Rodríguez-Lozano, Pablo; Verkaik, Iraima; Rieradevall, Maria; Prat, Narcís

    2015-01-01

    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 extirpated, to restore

  2. 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.

  3. Variational energy band theory for polarons: Mapping polaron structure with the global-local method

    International Nuclear Information System (INIS)

    Brown, D.W.; Lindenberg, K.; Zhao, Y.

    1997-01-01

    In this paper we revisit from a contemporary perspective a classic problem of polaron theory in one dimension using a new variational approach generalizing that of Toyozawa, based on delocalized trial states including mixed gobal and local exciton-phonon correlations. Polaron structure is represented by variational surfaces giving the optimal values of the complete set of exciton and phonon amplitudes for every value of the joint exciton-phonon crystal momentum κ. Characteristic small polaron, large polaron, and nearly free phonon structures are identified, and the manner in which these compete and/or coexist is examined in detail. Through such examination, the parameter space of the problem is mapped, with particular attention given to problematic areas such as the highly quantum mechanical weak-coupling regime, the highly nonlinear intermediate-coupling regime, and to the self-trapping transition that may be said to mark the onset of the strong-coupling regime. Complete energy bands are presented in illustrative cases, and the principal trends in the ground-state energy, polaron bandwidth, and effective mass are identified. The internal structure of our variational Bloch states is examined for qualities that might reflect the typical characteristics of solitons, finding some intriguing qualitative comparisons, but little that bears close scrutiny. copyright 1997 American Institute of Physics

  4. Structural propensities of human ubiquitination sites: accessibility, centrality and local conformation.

    Directory of Open Access Journals (Sweden)

    Yuan Zhou

    Full Text Available The existence and function of most proteins in the human proteome are regulated by the ubiquitination process. To date, tens of thousands human ubiquitination sites have been identified from high-throughput proteomic studies. However, the mechanism of ubiquitination site selection remains elusive because of the complicated sequence pattern flanking the ubiquitination sites. In this study, we perform a systematic analysis of 1,330 ubiquitination sites in 505 protein structures and quantify the significantly high accessibility and unexpectedly high centrality of human ubiquitination sites. Further analysis suggests that the higher centrality of ubiquitination sites is associated with the multi-functionality of ubiquitination sites, among which protein-protein interaction sites are common targets of ubiquitination. Moreover, we demonstrate that ubiquitination sites are flanked by residues with non-random local conformation. Finally, we provide quantitative and unambiguous evidence that most of the structural propensities contain specific information about ubiquitination site selection that is not represented by the sequence pattern. Therefore, the hypothesis about the structural level of the ubiquitination site selection mechanism has been substantially approved.

  5. Local structural mechanism for frozen-in dynamics in metallic glasses

    Science.gov (United States)

    Liu, X. J.; Wang, S. D.; Wang, H.; Wu, Y.; Liu, C. T.; Li, M.; Lu, Z. P.

    2018-04-01

    The nature of the glass transition is a fundamental and long-standing intriguing issue in the condensed-matter physics and materials science community. In particular, the structural response by which a liquid is arrested dynamically to form a glass or amorphous solid upon approaching its freezing temperature [the glass transition temperature (Tg)] remains unclear. Various structural scenarios in terms of the percolation theory have been proposed recently to understand such a phenomenon; however, there is still no consensus on what the general percolation entity is and how the entity responds to the sudden slowdown dynamics during the glass transition. In this paper, we demonstrate that one-dimensional local linear ordering (LLO) is a universal structural motif associated with the glass transition for various metallic glasses. The quantitative evolution of LLO with temperature indicates that a percolating LLO network forms to serve as the backbone of the rigid glass solid when the temperature approaches the freezing point, resulting in the frozen-in dynamics accompanying the glass transition. The percolation transition occurs by pinning different LLO networks together, which only needs the introduction of a small number of "joint" atoms between them, and therefore the energy expenditure is very low.

  6. Structure of thallium and lead calculated from Shaw local pseudopotential and molecular dynamics

    Directory of Open Access Journals (Sweden)

    Gasser J. G.

    2011-05-01

    Full Text Available Recently, we (Es Sbihi Phil. Mag 2010 have successfully calculated, by molecular dynamics, the static structure factor of liquid bismuth at different temperatures. Our results were in very good agreement with the Waseda experimental data. Our assumption was to consider the true density of states which presents a gap as measured by Indlekofer (J. Non-Cryst. Solids 1989 and calculated by Hafner-Jank (Phys. Rev. B 1990 for liquid bismuth. The number of electrons at the Fermi energy has been calculated with three conduction electrons for bismuth (number of p electrons. With this assumption, the structures were determined with an effective ion-ion potential constructed from the Shaw local Optimised Model Potential (OMP and the Ichimaru-Utsumi dielectric function. In the present paper, we generalize our assumptions to liquid thallium and lead which also present such a gap. Their calculated structures are also very close to the experimental ones. This confirms that the number of conduction electrons on the Fermi sphere is consistent with the number of p electrons as has been even shown for our electronic transport properties of liquid lead (A. Ben Abdellah, Phys. Rev. B 2003.

  7. Local structure of Cu2S/ZnS multi-layer films prepared using ALD

    Science.gov (United States)

    Bridges, Frank; Jewell, Leila; Short, Andrew; Alers, Glenn; Carter, Sue A.

    2013-03-01

    We present local structure studies of ZnS, Cu2S, and ZnS/Cu2S composite films, using extended x-ray absorption fine structure (EXAFS) technique. The films were prepared using atomic layer deposition (ALD), which can in principle deposit films layer by layer and hence form mesoscopic structures. ZnS and Cu2S films prepared using ALD are very similar to the bulk material; the main difference is a reduced amplitude for the second neighbor Zn-Zn peak in ZnS, suggesting increased disorder within the film. Relative disorder in the films also increases with decreasing thickness as well as with decreasing deposition temperature. More importantly, multi-layer ZnS/Cu2S films prepared using the same parameters as for individual films do not produce the expected multi-layer for ~1 nm thick layers. If there is some excess Zn, the multi-layer is predominately ZnS and the CuxS fraction is highly disordered, and may include some ZnS:Cu. In contrast if there is a little Cu excess, the film is nearly all Cu2S and the small Zn fraction is highly disordered ZnS with a shifted Zn-S distance. Consequences for multi-layer formation for solar cell applications will be discussed. Support: NSF DMR-1006190

  8. Late local and remote structural changes after capsulotomy for obsessive compulsive disorder.

    Science.gov (United States)

    Taren, J A; Curtis, G C; Gebarski, S S

    1994-01-01

    Stereotactic subcaudate capsulotomy (SC) is used to treat medically intractable obsessive compulsive disorders (OCD). Although clinical improvement has been observed, post-SC structural correlates are lacking in this biological disorder. Our study provides imaging evidence for local and distant alterations in structures which may have an important role in the manifestations of OCD. Five OCD patients treated with SC received MR imaging for pre-SC planning, early (1-7 days) post-SC assessment, and late (5-12 months) follow-up. The volumes of the anterior limb of the internal capsules, caudate heads, third ventricle, mamillary bodies, thalami, and hippocampal formations were digitally computed. Volumes from each of the serial imaging studies were compared. At 5-12 months post-SC, all patients showed reduction in volume of the anterior limbs of the internal capsules, caudate heads, thalami, and increased volume of the third ventricle (reflecting thalamic/caudate atrophy). 2-5 patients showed reduction in hippocampal formation volume. The post-SC reduction in volume of these structures, some far distant to the stereotactic lesion, suggests that the interrelationships of the anterior limb of the internal capsule, the caudate/thalamic nuclei, and possibly the pallidal and limbic systems are necessary for the manifestations of OCD and their variants.

  9. Electromagnetic-thermal-structural coupling analysis of the ITER edge localized mode coil with flexible supports

    Science.gov (United States)

    Zhang, Shanwen; Song, Yuntao; Tang, Linlin; Wang, Zhongwei; Ji, Xiang; Du, Shuangsong

    2017-05-01

    In a fusion reactor, the edge localized mode (ELM) coil has a mitigating effect on the ELMs of the plasma. The coil is placed close to the plasma between the vacuum vessel and the blanket to reduce its design power and improve its mitigating ability. The coil works in a high-temperature, high-nuclear-heat and high-magnetic-field environment. Due to the existence of outer superconducting coils, the coil is subjected to an alternating electromagnetic force induced by its own alternating current and the outer magnetic field. The design goal for the ELM coil is to maintain its structural integrity in the multi-physical field. Taking as an example the middle ELM coil (with flexible supports) of ITER (the International Thermonuclear Fusion Reactor), an electromagnetic-thermal-structural coupling analysis is carried out using ANSYS. The results show that the flexible supports help the three-layer casing meet the static and fatigue design requirements. The structural design of the middle ELM coil is reasonable and feasible. The work described in this paper provides the theoretical basis and method for ELM coil design.

  10. 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.

  11. 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.

  12. Category structure determines the relative attractiveness of global versus local averages.

    Science.gov (United States)

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

    2018-02-01

    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) 2018 APA, all rights reserved).

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

    DEFF Research Database (Denmark)

    Virdi, Kuldeep

    buckling of the column. The paper proposes use of plate buckling response, in terms of in-plane load and axial deformation, as modified stress-strain curves for use in column analysis. These curves can be derived from numerical analysis of such plates or may be based on experiments, where available. When......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....

  14. A study of the local structure around Eu3+ ions in oxide glasses using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Todoroki, S.; Hirao, K.; Soga, N.

    1993-01-01

    The local structure around Eu 3+ ions in several oxide glasses (silicate, germanate and borophosphate glasses) was investigated by using 151 Eu Moessbauer spectroscopy. It was found that the isomer shift (IS) of silicate and borophosphate glasses was independent of the sodium content, but that of germanate glasses was not. This means the first coordination sphere around Eu 3+ ions in silicate glasses is insensitive to the composition of the glass matrix. It is assumed that, regardless of the sodium content, Eu 3+ ions in silicate glasses attract a certain amount of nonbridging oxygen (NBO, Si-O direct difference ) when incorporated stably into silicate glass matrix, because NBO is the only species donating negative charge. For germanate glasses, the behavior of IS is considered to be related to the resence of GeO 6/2 octahedra. On the basis of experimental results, the coordination models of Eu 3+ in these systems are proposed. (orig.)

  15. Field-aligned plasma-potential structure formed by local electron cyclotron resonance

    International Nuclear Information System (INIS)

    Hatakeyama, Rikizo; Kaneko, Toshiro; Sato, Noriyoshi

    2001-01-01

    The significance of basic experiments on field-aligned plasma-potential structure formed by local electron cyclotron resonance (ECR) is claimed based on the historical development of the investigation on electric double layer and electrostatic potential confinement of open-ended fusion-oriented plasmas. In the presence of a single ECR point in simple mirror-type configurations of magnetic field, a potential dip (thermal barrier) appears around this point, being followed by a subsequent potential hump (plug potential) along a collisionless plasma flow. The observed phenomenon gives a clear-cut physics to the formation of field-aligned plug potential with thermal barrier, which is closely related to the double layer formation triggered by a negative dip. (author)

  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. [Anatomical structure and histochemical localization about rhizomes of five species of Polygonatum].

    Science.gov (United States)

    Cheng, Ming-En; Wang, De-Qun

    2013-07-01

    The microscopic structure and histochemical localization of the Polygonatum sibiricum, P. cytonema, P. filipes, P. zanlanscianense and P. odoratum was studied. Scanning electron microscope (SEM) and digital biological microscope (DBM) were applied in the research. Venation bundle showed in three types included collateral, amphivasal and incomplete amphivasal bundles. Morphological differences of venation bundles could be seen under the fluorescence microscope. Calcium oxalate existed in the mucilage cells looked similar to columnar crystals under SEM. In rhizome of Polygonatum, polysaccharides presented in mucilage cells, saponins and volatile oil were found in ground tissue. Microstructure difference of rhizomes would be used for identification of the Polygonatum plants. Polysaccharides and saponins are distributed in different cells of Polygonatum plants.

  18. Structure and chromosomal localization of the gene encoding the human myelin protein zero (MPZ)

    Energy Technology Data Exchange (ETDEWEB)

    Hayasaka, Kiyoshi; Himoro, Masato; Takada, Goro (Akita Univ. School of Medicine, Akita (Japan)); Wang, Yimin; Takata, Mizuho; Minoshima, Shinsei; Shimizu, Nobuyoshi; Miura, Masayuki; Uyemura, Keiichi (Keio Univ. School of Medicine, Tokyo (Japan))

    1993-09-01

    The authors describe the cloning, characterization, and chromosomal mapping of the human myelin protein zero (MPZ) gene (a structural protein of myelin and an adhesive glycoprotein of the immunoglobulin superfamily). The gene is about 7 kb long and consists of six exons corresponding of the functional domains. All exon-intron junction sequences conform to the GT/AG rule. The 5[prime]-flanking region of the gene has a TA-rich element (TATA-like box), two CAAT boxes, and a single defined transcription initiation site detected by the primer extension method. The gene for human MPZ was assigned to chromosome 1q22-q23 by spot blot hybridization of flow-sorted human chromosomes and fluorescence in situ hybridization. The localization of the MPZ gene coincides with the locus for Charcot-Marie-Tooth disease type 1B, determined by linkage analysis. 20 refs., 3 figs., 1 tab.

  19. 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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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. (paper)

  1. 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.

  2. 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.

  3. 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.

  4. Data Visualization with Structural Control of Global Cohort and Local Data Neighborhoods.

    Science.gov (United States)

    Mu, Tingting; Goulermas, Yannis John; Ananiadou, Sophia

    2017-06-15

    A typical objective of data visualization is to generate low-dimensional plots that maximally convey the information within the data. The visualization output should help the user to not only identify the local neighborhood structure of individual samples, but also obtain a global view of the relative positioning and separation between cohorts. Here, we propose a very novel visualization framework designed to satisfy these needs. By incorporating additional cohort positioning and discriminative constraints into local neighbor preservation models through the use of computed cohort prototypes, effective control over the arrangements and proximities of data cohorts can be obtained. We introduce various embedding and projection algorithms based on objective functions addressing the different visualization requirements. Their underlying models are optimized effectively using matrix manifold procedures to incorporate the problem constraints. Additionally, to facilitate large-scale applications, a matrix decomposition based model is also proposed to accelerate the computation. The improved capabilities of the new methods are demonstrated using various state-of-the-art dimensionality reduction algorithms. We present many qualitative and quantitative comparisons, on both synthetic problems and real-world tasks of complex text and image data, that show notable improvements over existing techniques.

  5. 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.

  6. 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.

  7. 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

  8. 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

  9. Human phenol sulfotransferase STP2 gene: Molecular cloning, structural characterization, and chromosomal localization

    Energy Technology Data Exchange (ETDEWEB)

    Her, C.; Raftogianis, R.; Weinshilboum, R.M. [Mayo Foundation, Rochester, MN (United States)

    1996-05-01

    Sulfonation is an important pathway in the biotransformation of many drugs, xenobiotics, neurotransmitters, and steroid hormones. The thermostable (TS) form of phenol sulfotransferase (PST) preferentially catalyzes the sulfonation of {open_quotes}simple{close_quotes} planar phenols, and levels of activity of TS PST in human tissues are controlled by inheritance. Two different human liver TS PST cDNAs have been cloned that encode proteins with amino acid sequences that are 96% identical. We have determined the structure and chromosomal localization of the gene for one of these two cDNAs, STP2, as a step toward understanding molecular genetic mechanisms involved in the regulation of this enzyme activity in humans. STP2 spans approximately 5.1 kb and contains nine exons that range in length from 74 to 347 bp. The locations of most STP2 exon-intron splice junctions are identical to those of a gene for the thermolabile form of PST in humans, STM; a rat PST gene; a human estrogen ST (EST) gene, STE; and a guinea pig EST gene. The two initial STP2 exons, IA and IB, were identified by performing 5{prime}-rapid amplification of cDNA ends with human liver cDNA as template. Exons IA and IB are noncoding and represent two different human liver TS PST cDNA 5{prime}untranslated region sequences. The two apparent 5{prime}-ons IA and IB, contain no canonical TATA boxes, but do contain CCAAT elements. STP2 was localized to human chromosome 16 by performing the PCR with DNA from NIGMS human/rodent somatic cell hybrids as template. Structural characterization of STP2 will make it possible to begin to study molecular genetic mechanisms involved in the regulation of TS PST activity in human tissues. 63 refs., 7 figs., 1 tab.

  10. 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.

  11. 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.

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

    Science.gov (United States)

    Akhter, Nasrin; Shehu, Amarda

    2018-01-19

    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.

  13. 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.

  14. Design and fabrication of structural color by local surface plasmonic meta-molecules

    Science.gov (United States)

    Ma, Ya-Qi; Shao, Jin-Hai; Zhang, Ya-Feng; Lu, Bing-Rui; Zhang, Si-Chao; Sun, Yan; Qu, Xin-Ping; Chen, Yi-Fang

    2015-08-01

    In this paper, we propose a new form of nanostructures with Al film deposited on a patterned dielectric material for generating structural color, which is induced by local surface plasmonic resonant (LSPR) absorption in sub-wavelength-indented hole/ring arrays. Unlike other reported results obtained by using focus ion beam (FIB) to create metallic nanostructures, the nano-sized hole/ring arrays in Al film in this work are replicated by high resolution electron beam lithography (EBL) combined with self-aligned metallization. Clear structural color is observed and systematically studied by numerical simulations as well as optical characterizations. The central color is strongly related to the geometric size, which provides us with good opportunities to dye the colorless Al surface by controlling the hole/ring dimensions (both diameter and radius), and to open up broad applications in display, jewelry decoration, green production of packing papers, security code, and counterfeits prevention. Project partially supported by the National Natural Science Foundation of China (Grant No. 61205148).

  15. 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.

  16. Self-irradiation damage to the local structure of plutonium and plutonium intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Booth, C. H.; Jiang Yu; Medling, S. A. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Wang, D. L. [Nuclear Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Costello, A. L.; Schwartz, D. S.; Mitchell, J. N.; Tobash, P. H. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Bauer, E. D. [Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); McCall, S. K.; Wall, M. A.; Allen, P. G. [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

    2013-03-07

    The effect of self-irradiation damage on the local structure of {delta}-Pu, PuAl{sub 2}, PuGa{sub 3}, and other Pu intermetallics has been determined for samples stored at room temperature using the extended x-ray absorption fine-structure (EXAFS) technique. These measurements indicate that the intermetallic samples damage at a similar rate as indicated in previous studies of PuCoGa{sub 5}. In contrast, {delta}-Pu data indicate a much slower damage accumulation rate. To explore the effect of storage temperature and possible room temperature annealing effects, we also collected EXAFS data on a {delta}-Pu sample that was held at less than 32 K for a two month period. This sample damaged much more quickly. In addition, the measurable damage was annealed out at above only 135 K. Data from samples of {delta}-Pu with different Ga concentrations and results on all samples collected from different absorption edges are also reported. These results are discussed in terms of the vibrational properties of the materials and the role of Ga in {delta}-Pu as a network former.

  17. Analysis of vibrating structures with localized nonlinearities using nonlinear normal modes

    International Nuclear Information System (INIS)

    Moussi, E.H.

    2013-01-01

    This work is a collaboration between EDF R and D and the Laboratory of Mechanics and Acoustics. The objective is to develop theoretical and numerical tools to compute nonlinear normal modes (NNMs) of structures with localized nonlinearities. We use an approach combining the harmonic balance and the asymptotic numerical methods, known for its robustness principally for smooth systems. Regularization techniques are used to apply this approach for the study of non-smooth problems. Moreover, several aspects of the method are improved to allow the computation of NNMs for systems with a high number of degrees of freedom (DOF). Finally, the method is implemented in Code-Aster, an open-source finite element solver developed by EDF R and D. The nonlinear normal modes of a two degrees-of-freedom system are studied and some original characteristics are observed. These observations are then used to develop a methodology for the study of systems with a high number of DOFs. The developed method is finally used to compute the NNMs for a model U-tube of a nuclear plant steam generator. The analysis of the NNMs reveals the presence of an interaction between an out-of-plane (low frequency) and an in-plane (high frequency) modes, a result also confirmed by the experiment. This modal interaction is not possible using linear modal analysis and confirms the interest of NNMs as a diagnostic tool in structural dynamics. (author) [fr

  18. Correlating the structure and localized surface plasmon resonance of single silver right bipyramids.

    Science.gov (United States)

    Ringe, Emilie; Zhang, Jian; Langille, Mark R; Mirkin, Chad A; Marks, Laurence D; Van Duyne, Richard P

    2012-11-09

    Localized surface plasmon resonances (LSPRs), collective electron oscillations in metal nanoparticles, are being heavily scrutinized for applications in prototype devices and circuits, as well as for chemical and biological sensing. Both the plasmon frequency and linewidth of a LSPR are critical factors for application optimization, for which their dependence on structural factors has been qualitatively unraveled over the past decade. However, quantitative knowledge based on systematic single particle studies has only recently become available for a few particle shapes. We show here that to understand the effect of structure (both size and shape) on plasmonic properties, one must take multiple parameters into account. We have successfully done so for a large data set on silver right bipyramids. By correlating plasmon energy and linewidth with edge length and corner rounding for individual bipyramids, we have found that the corner rounding has a significant effect on the plasmon energy for particles of the same size, and thus corner rounding must be taken into account to accurately describe the dependence of a LSPR on nanoparticle size. A detailed explanation of the phenomena responsible for the observed effects and their relationship to each other is presented.

  19. 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

  20. Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

    Directory of Open Access Journals (Sweden)

    Mao Liu

    2015-01-01

    Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

  1. Edge-localized mode avoidance and pedestal structure in I-mode plasmasa)

    Science.gov (United States)

    Walk, J. R.; Hughes, J. W.; Hubbard, A. E.; Terry, J. L.; Whyte, D. G.; White, A. E.; Baek, S. G.; Reinke, M. L.; Theiler, C.; Churchill, R. M.; Rice, J. E.; Snyder, P. B.; Osborne, T.; Dominguez, A.; Cziegler, I.

    2014-05-01

    I-mode is a high-performance tokamak regime characterized by the formation of a temperature pedestal and enhanced energy confinement, without an accompanying density pedestal or drop in particle and impurity transport. I-mode operation appears to have naturally occurring suppression of large Edge-Localized Modes (ELMs) in addition to its highly favorable scalings of pedestal structure and overall performance. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Analysis of I-mode discharges prepared with high-resolution pedestal data from the most recent C-Mod campaign reveals favorable pedestal scalings for extrapolation to large machines—pedestal temperature scales strongly with power per particle Pnet/n ¯e, and likewise pedestal pressure scales as the net heating power (consistent with weak degradation of confinement with heating power). Matched discharges in current, field, and shaping demonstrate the decoupling of energy and particle transport in I-mode, increasing fueling to span nearly a factor of two in density while maintaining matched temperature pedestals with consistent levels of Pnet/n ¯e. This is consistent with targets for increased performance in I-mode, elevating pedestal βp and global performance with matched increases in density and heating power. MHD calculations using the ELITE code indicate that I-mode pedestals are strongly stable to edge peeling-ballooning instabilities. Likewise, numerical modeling of the KBM turbulence onset, as well as scalings of the pedestal width with poloidal beta, indicates that I-mode pedestals are not limited by KBM turbulence—both features identified with the trigger for large ELMs, consistent with the observed suppression of

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

    International Nuclear Information System (INIS)

    Riedel, Werner; Noeldgen, Markus; Strassburger, Elmar; Thoma, Klaus; Fehling, Ekkehard

    2010-01-01

    Research highlights: → Experimental series on UHPC panels subjected to aircraft engine impact. → Improved ballistic limit of fiber reinforced UHPC in comparison to conventional R/C. → 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.

  3. 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.

  4. Integrable systems with BMS3 Poisson structure and the dynamics of locally flat spacetimes

    Science.gov (United States)

    Fuentealba, Oscar; Matulich, Javier; Pérez, Alfredo; Pino, Miguel; Rodríguez, Pablo; Tempo, David; Troncoso, Ricardo

    2018-01-01

    We construct a hierarchy of integrable systems whose Poisson structure corresponds to the BMS3 algebra, and then discuss its description in terms of the Riemannian geometry of locally flat spacetimes in three dimensions. The analysis is performed in terms of two-dimensional gauge fields for isl(2,R) , being isomorphic to the Poincaré algebra in 3D. Although the algebra is not semisimple, the formulation can still be carried out à la Drinfeld-Sokolov because it admits a nondegenerate invariant bilinear metric. The hierarchy turns out to be bi-Hamiltonian, labeled by a nonnegative integer k, and defined through a suitable generalization of the Gelfand-Dikii polynomials. The symmetries of the hierarchy are explicitly found. For k ≥ 1, the corresponding conserved charges span an infinite-dimensional Abelian algebra without central extensions, so that they are in involution; while in the case of k = 0, they generate the BMS3 algebra. In the special case of k = 1, by virtue of a suitable field redefinition and time scaling, the field equations are shown to be equivalent to the ones of a specific type of the Hirota-Satsuma coupled KdV systems. For k ≥ 1, the hierarchy also includes the so-called perturbed KdV equations as a particular case. A wide class of analytic solutions is also explicitly constructed for a generic value of k. Remarkably, the dynamics can be fully geometrized so as to describe the evolution of spacelike surfaces embedded in locally flat spacetimes. Indeed, General Relativity in 3D can be endowed with a suitable set of boundary conditions, so that the Einstein equations precisely reduce to the ones of the hierarchy aforementioned. The symmetries of the integrable systems then arise as diffeomorphisms that preserve the asymptotic form of the spacetime metric, and therefore, they become Noetherian. The infinite set of conserved charges is then recovered from the corresponding surface integrals in the canonical approach.

  5. BridgeRank: A novel fast centrality measure based on local structure of the network

    Science.gov (United States)

    Salavati, Chiman; Abdollahpouri, Alireza; Manbari, Zhaleh

    2018-04-01

    Ranking nodes in complex networks have become an important task in many application domains. In a complex network, influential nodes are those that have the most spreading ability. Thus, identifying influential nodes based on their spreading ability is a fundamental task in different applications such as viral marketing. One of the most important centrality measures to ranking nodes is closeness centrality which is efficient but suffers from high computational complexity O(n3) . This paper tries to improve closeness centrality by utilizing the local structure of nodes and presents a new ranking algorithm, called BridgeRank centrality. The proposed method computes local centrality value for each node. For this purpose, at first, communities are detected and the relationship between communities is completely ignored. Then, by applying a centrality in each community, only one best critical node from each community is extracted. Finally, the nodes are ranked based on computing the sum of the shortest path length of nodes to obtained critical nodes. We have also modified the proposed method by weighting the original BridgeRank and selecting several nodes from each community based on the density of that community. Our method can find the best nodes with high spread ability and low time complexity, which make it applicable to large-scale networks. To evaluate the performance of the proposed method, we use the SIR diffusion model. Finally, experiments on real and artificial networks show that our method is able to identify influential nodes so efficiently, and achieves better performance compared to other recent methods.

  6. 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

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

    International Nuclear Information System (INIS)

    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.

    2017-01-01

    Hexagonal manganates RMnO 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 1−x Ti x )O 3 solid solutions exhibit facile oxygen absorption/desorption via reversible Ti 3+ ↔Ti 4+ and Mn 3+ ↔Mn 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 3+ 1−x-y Mn 4+ y Ti 4+ x O 3+δ . The presence of Ti promotes the oxidation of Mn 3+ to Mn 4+ , which is almost negligible for YMnO 3 in air, thereby increasing the uptake of oxygen beyond that required for a given Ti 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 5 ] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO 3 structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO 5 ] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti 4+ (and Mn 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-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of

  8. Evolution of the local structure of ferric gels and polymers during the crystallisation of iron oxides. Application to uranium trapping

    International Nuclear Information System (INIS)

    Combes, Jean-Marie

    1988-01-01

    A first part of this research thesis reports the study of the structure of the main iron oxides and oxy-hydroxides, and of the protocols for the synthesis of ferric gels. The second part reports a topological approach by EXAFS (Extended X-Ray Absorption Fine Structure) of the structure of Mn and Fe oxides and oxy-hydroxides. The third part reports the study of the formation of ferric oxides from aqueous solutions by using a polyhedral approach by X-ray absorption spectroscopy in the case of hydrolysis and formation of ferric gels, and in the case of haematite formation from ferric gels. The next parts respectively report the study of the local structure of gels synthesised from iron(II), and the study of the local structure of natural ferric gels. Then, the author reports the study of sites of uranium bonding on ferric gels [fr

  9. Comparison of the microbial community structures of untreated wastewaters from different geographic locales.

    Science.gov (United States)

    Shanks, Orin C; Newton, Ryan J; Kelty, Catherine A; Huse, Susan M; Sogin, Mitchell L; McLellan, Sandra L

    2013-05-01

    Microbial sewage communities consist of a combination of human fecal microorganisms and nonfecal microorganisms, which may be residents of urban sewer infrastructure or flowthrough originating from gray water or rainwater inputs. Together, these different microorganism sources form an identifiable community structure that may serve as a signature for sewage discharges and as candidates for alternative indicators specific for human fecal pollution. However, the structure and variability of this community across geographic space remains uncharacterized. We used massively parallel 454 pyrosequencing of the V6 region in 16S rRNA genes to profile microbial communities from 13 untreated sewage influent samples collected from a wide range of geographic locations in the United States. We obtained a total of 380,175 high-quality sequences for sequence-based clustering, taxonomic analyses, and profile comparisons. The sewage profile included a discernible core human fecal signature made up of several abundant taxonomic groups within Firmicutes, Bacteroidetes, Actinobacteria, and Proteobacteria. DNA sequences were also classified into fecal, sewage infrastructure (i.e., nonfecal), and transient groups based on data comparisons with fecal samples. Across all sewage samples, an estimated 12.1% of sequences were fecal in origin, while 81.4% were consistently associated with the sewage infrastructure. The composition of feces-derived operational taxonomic units remained congruent across all sewage samples regardless of geographic locale; however, the sewage infrastructure community composition varied among cities, with city latitude best explaining this variation. Together, these results suggest that untreated sewage microbial communities harbor a core group of fecal bacteria across geographically dispersed wastewater sewage lines and that ambient water quality indicators targeting these select core microorganisms may perform well across the United States.

  10. NEXAFS Study of the Annealing Effect on the Local Structure of FIB-CVD DLC

    International Nuclear Information System (INIS)

    Saikubo, Akihiko; Kato, Yuri; Igaki, Jun-ya; Kanda, Kazuhiro; Matsui, Shinji; Kometani, Reo

    2007-01-01

    Annealing effect on the local structure of diamond like carbon (DLC) formed by focused ion beam-chemical vapor deposition (FIB-CVD) was investigated by the measurement of near edge x-ray absorption fine structure (NEXAFS) and energy dispersive x-ray (EDX) spectra. Carbon K edge absorption NEXAFS spectrum of FIB-CVD DLC was measured in the energy range of 275-320 eV. In order to obtain the information on the location of the gallium in the depth direction, incidence angle dependence of NEXAFS spectrum was measured in the incident angle range from 0 deg. to 60 deg. . The peak intensity corresponding to the resonance transition of 1s→σ* originating from carbon-gallium increased from the FIB-CVD DLC annealed at 200 deg. C to the FIB-CVD DLC annealed at 400 deg. C and decreased from that at 400 deg. C to that at 600 deg. C. Especially, the intensity of this peak remarkably enhanced in the NEXAFS spectrum of the FIB-CVD DLC annealed at 400 deg. C at the incident angle of 60 deg. . On the contrary, the peak intensity corresponding to the resonance transition of 1s→π* originating from carbon double bonding of emission spectrum decreased from the FIB-CVD DLC annealed at 200 deg. C to that at 400 deg. C and increased from that at 400 deg. C to that at 600 deg. C. Gallium concentration in the FIB-CVD DLC decreased from ≅2.2% of the as-deposited FIB-CVD DLC to ≅1.5% of the FIB-CVD DLC annealed at 600 deg. C from the elementary analysis using EDX. Both experimental results indicated that gallium atom departed from FIB-CVD DLC by annealing at the temperature of 600 deg. C

  11. Surface and interfacial interactions of multilayer graphitic structures with local environment

    Energy Technology Data Exchange (ETDEWEB)

    Mazzocco, R. [Department of Physics, Lancaster University, Lancaster LA1 4YB (United Kingdom); Robinson, B.J., E-mail: b.j.robinson@lancaster.ac.uk [Department of Physics, Lancaster University, Lancaster LA1 4YB (United Kingdom); Rabot, C. [CEA-LETI-Minatec Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 09 (France); Delamoreanu, A. [Microelectronics Technology Laboratory (LTM), Joseph Fourier University, French National Research Center (CNRS), 17 Avenue des Martyrs, 38054 Grenoble Cedex 9 (France); Zenasni, A. [CEA-LETI-Minatec Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 09 (France); Dickinson, J.W.; Boxall, C. [Department of Engineering, Lancaster University, Lancaster LA1 4YR (United Kingdom); Kolosov, O.V. [Department of Physics, Lancaster University, Lancaster LA1 4YB (United Kingdom)

    2015-06-30

    In order to exploit the potential of graphene in next-generation devices, such as supercapacitors, rechargeable batteries, displays and ultrathin sensors, it is crucial to understand the solvent interactions with the graphene surface and interlayers, especially where the latter may be in competition with the former, in the medium of application deployment. In this report, we combine quartz crystal microbalance (QCM) and ultrasonic force microscopy methods to investigate the changes in the film–substrate and film–environment interfaces of graphene and graphene oxide films, produced by diverse scalable routes, in both polar (deionised water) and non-polar (dodecane) liquid and vapour environments. In polar liquid environments, we observe nanobubble adsorption/desorption on the graphene film corresponding to a surface coverage of up to 20%. As no comparable behaviour is observed for non-polar environment, we conclude that nanobubble formation is directly due to the hydrophobic nature of graphene with direct consequences for electrode structures immersed in electrolyte solutions. The amount of water adsorbed by the graphene films was found to vary considerably from 0.012 monolayers of water per monolayer of reduced graphene oxide to 0.231 monolayers of water per monolayer of carbon diffusion growth graphene. This is supported by direct nanomechanical mapping of the films immersed in water where an increased variation of local stiffness suggests water propagation within the film and/or between the film and substrate. Transferred film thickness calculations performed for QCM, atomic force microscopy topography and optical transmission measurements, returns results an order of magnitude larger (46 ± 1 layers) than Raman spectroscopy (1 - 2 graphene layers) on pristine pre-transferred films due to contamination during transfer and possible turbostratic structures of large areas. - Highlights: • Exploring interaction of graphene films with polar and nonpolar liquids

  12. 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.

  13. 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.

  14. 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.

  15. Local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys investigated by EXAFS method

    International Nuclear Information System (INIS)

    Antonowicz, J.; Pietnoczka, A.; Zalewski, W.; Bacewicz, R.; Stoica, M.; Georgarakis, K.; Yavari, A.R.

    2011-01-01

    Research highlights: → Coordination number, interatomic distances and mean square atomic displacement in Zr-Cu and Zr-Cu-Al glasses. → Icosahedral symmetry in local atomic structure. → Deviation from random mixing behavior resulting from Al addition. - Abstract: We report on extended X-ray absorption fine structure (EXAFS) study of rapidly quenched Zr-Cu and Zr-Cu-Al glassy alloys. The local atomic order around Zr and Cu atoms was investigated. From the EXAFS data fitting the values of coordination number, interatomic distances and mean square atomic displacement were obtained for wide range of compositions. It was found that icosahedral symmetry rather than that of corresponding crystalline analogs dominates in the local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys. Judging from bonding preferences we conclude that addition of Al as an alloying element results in considerable deviation from random mixing behavior observed in binary Zr-Cu alloys.

  16. Investigation of the structure and localization of the urease of Helicobacter pylori using monoclonal antibodies.

    Science.gov (United States)

    Hawtin, P R; Stacey, A R; Newell, D G

    1990-10-01

    The urease of Helicobacter pylori (formerly Campylobacter pylori) has been partly purified by fast protein liquid chromatography. This material contained 10 nm doughnut-like structures when examined by electron microscopy and comprised three major polypeptides (61 kDa, 56 kDa and 28 kDa). Only two of these polypeptides (61 kDa and 28 kDa) were observed in urease-containing material isolated by preparative non-denatured PAGE. Monoclonal antibodies (mAbs) were produced which were directed against two of these polypeptides (56 kDa and 28 kDa). Only mAbs directed against the 28 kDa polypeptide inhibited or captured urease activity. These results suggest that the 56 kDa polypeptide is not essential for enzyme activity. Anti-urease mAbs were used in an indirect immunogold technique to localize the enzyme at the ultrastructural level. In both prefixed bacteria and ultrathin cryosectioned bacteria the enzyme was located on the cell surface and in material apparently shed from that surface.

  17. Local label learning (LLL) for subcortical structure segmentation: application to hippocampus segmentation.

    Science.gov (United States)

    Hao, Yongfu; Wang, Tianyao; Zhang, Xinqing; Duan, Yunyun; Yu, Chunshui; Jiang, Tianzi; Fan, Yong

    2014-06-01

    Automatic and reliable segmentation of subcortical structures is an important but difficult task in quantitative brain image analysis. Multi-atlas based segmentation methods have attracted great interest due to their promising performance. Under the multi-atlas based segmentation framework, using deformation fields generated for registering atlas images onto a target image to be segmented, labels of the atlases are first propagated to the target image space and then fused to get the target image segmentation based on a label fusion strategy. While many label fusion strategies have been developed, most of these methods adopt predefined weighting models that are not necessarily optimal. In this study, we propose a novel local label learning strategy to estimate the target image's segmentation label using statistical machine learning techniques. In particular, we use a L1-regularized support vector machine (SVM) with a k nearest neighbor (kNN) based training sample selection strategy to learn a classifier for each of the target image voxel from its neighboring voxels in the atlases based on both image intensity and texture features. Our method has produced segmentation results consistently better than state-of-the-art label fusion methods in validation experiments on hippocampal segmentation of over 100 MR images obtained from publicly available and in-house datasets. Volumetric analysis has also demonstrated the capability of our method in detecting hippocampal volume changes due to Alzheimer's disease. Copyright © 2013 Wiley Periodicals, Inc.

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

    CERN Multimedia

    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...

  19. Predicting protein complexes using a supervised learning method combined with local structural information.

    Science.gov (United States)

    Dong, Yadong; Sun, Yongqi; Qin, Chao

    2018-01-01

    The existing protein complex detection methods can be broadly divided into two categories: unsupervised and supervised learning methods. Most of the unsupervised learning methods assume that protein complexes are in dense regions of protein-protein interaction (PPI) networks even though many true complexes are not dense subgraphs. Supervised learning methods utilize the informative properties of known complexes; they often extract features from existing complexes and then use the features to train a classification model. The trained model is used to guide the search process for new complexes. However, insufficient extracted features, noise in the PPI data and the incompleteness of complex data make the classification model imprecise. Consequently, the classification model is not sufficient for guiding the detection of complexes. Therefore, we propose a new robust score function that combines the classification model with local structural information. Based on the score function, we provide a search method that works both forwards and backwards. The results from experiments on six benchmark PPI datasets and three protein complex datasets show that our approach can achieve better performance compared with the state-of-the-art supervised, semi-supervised and unsupervised methods for protein complex detection, occasionally significantly outperforming such methods.

  20. On the local structure of Ti during in situ desorption of Ti(OBu)(4) and TiCl3 doped NaAlH4

    NARCIS (Netherlands)

    Balde, Cornelis P.; van der Eerden, Ad M. J.; Stil, Hans A.; de Groot, Frank M. F.; de Jong, Krijn P.; Bitter, Johannes H.

    2007-01-01

    The local structures of Ti doped NaAlH4 were investigated with extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) using Ti(OBU)(4) and TiCl3 precursors. The local structures were linked to literature data on hydrogen desorption and absorption kinetics.

  1. 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

  2. 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.

  3. 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.

  4. 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

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

    International Nuclear Information System (INIS)

    Kumar, Abhishek; Kollath-Leiß, Krisztina; Kempken, Frank

    2013-01-01

    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

  6. Local-scale structures across the morphotropic phase boundary in PbZr1−xTixO3

    Directory of Open Access Journals (Sweden)

    Nan Zhang

    2018-01-01

    Full Text Available Lead zirconate titanate (PZT is one of the most widely studied piezoelectric materials, mainly because of its `mysterious' relationship between the so-called morphotropic phase boundary (MPB and its strong piezoelectric coupling factor. Using results from a pair distribution function analysis, this paper examines how the complex local structure in PZT affects the long-range average structure across the MPB. A monoclinic MC type structure is discovered in PZT. A first-order transformation between the monoclinic MA and MC components in both the average and local structures explains the sudden change in piezoelectric effect around these compositions. The role of polarization rotation in the enhancement of the piezoelectric properties is discussed with respect to the composition of PZT. The structure–property relationship that is revealed by this study explains the unique properties of PZT, and may be applicable in the design of new MPB-type functional materials.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. THE CONNECTION BETWEEN GALAXIES AND DARK MATTER STRUCTURES IN THE LOCAL UNIVERSE

    International Nuclear Information System (INIS)

    Reddick, Rachel M.; Wechsler, Risa H.; Behroozi, Peter S.; Tinker, Jeremy L.

    2013-01-01

    We provide new constraints on the connection between galaxies in the local universe, identified by the Sloan Digital Sky Survey, and dark matter halos and their constituent substructures in the Λ-cold dark matter 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 (1) which halo property is most closely associated with galaxy stellar masses and luminosities, (2) how much scatter is in this relationship, and (3) 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.

  12. 3-D crustal structure beneath the southern Korean Peninsula from local earthquakes

    Science.gov (United States)

    Kim, K. H.; Park, J. H.; Park, Y.; Hao, T.; Kang, S. Y.; Kim, H. J.

    2017-12-01

    Located at the eastern margin of the Eurasian continent, the geology and tectonic evolution of the Korean Peninsula are closely related to the rest of the Asian continent. Although the widespread deformation of eastern Asia and its relation to the geology and tectonics of the Korean Peninsula have been extensively studied, the answers to many fundamental questions about the peninsula's history remain inconclusive. The three-dimensional subsurface structure beneath the southern Korean Peninsula is poorly known, even though such information could be key in verifying or rejecting several competing models of the tectonic evolution of East Asia. We constructed a three-dimensional velocity model of the upper crust beneath the southern Korean Peninsula using 19,935 P-wave arrivals from 747 earthquakes recorded by high-density local seismic networks maintained by Korea Meteorological Administration and Korea Institute of Geosciences and Mineral Resources. Results show significant lateral and vertical variations: velocity increases from northwest to southeast at shallow depths, and significant velocity variations are observed across the South Korea Tectonic Line between the Okcheon Fold Belt and the Youngnam Massif. Collision between the North China and South China blocks during the Early Cretaceous might have caused extensive deformation and the observed negative velocity anomalies in the region. The results of the tomographic inversion, combined with the findings of previous studies of Bouguer and isostatic gravity anomalies, indicate the presence of high-density material in the upper and middle crust beneath the Gyeongsang Basin in the southeastern Korean Peninsula. Although our results partially support the indentation tectonic model, it is still premature to discard other tectonic evolution models because our study only covers the southern half of the peninsula.

  13. 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

    2018-01-01

    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.

  14. 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.

  15. Towards 3D structure prediction of large RNA molecules: an integer programming framework to insert local 3D motifs in RNA secondary structure.

    Science.gov (United States)

    Reinharz, Vladimir; Major, François; Waldispühl, Jérôme

    2012-06-15

    The prediction of RNA 3D structures from its sequence only is a milestone to RNA function analysis and prediction. In recent years, many methods addressed this challenge, ranging from cycle decomposition and fragment assembly to molecular dynamics simulations. However, their predictions remain fragile and limited to small RNAs. To expand the range and accuracy of these techniques, we need to develop algorithms that will enable to use all the structural information available. In particular, the energetic contribution of secondary structure interactions is now well documented, but the quantification of non-canonical interactions-those shaping the tertiary structure-is poorly understood. Nonetheless, even if a complete RNA tertiary structure energy model is currently unavailable, we now have catalogues of local 3D structural motifs including non-canonical base pairings. A practical objective is thus to develop techniques enabling us to use this knowledge for robust RNA tertiary structure predictors. In this work, we introduce RNA-MoIP, a program that benefits from the progresses made over the last 30 years in the field of RNA secondary structure prediction and expands these methods to incorporate the novel local motif information available in databases. Using an integer programming framework, our method refines predicted secondary structures (i.e. removes incorrect canonical base pairs) to accommodate the insertion of RNA 3D motifs (i.e. hairpins, internal loops and k-way junctions). Then, we use predictions as templates to generate complete 3D structures with the MC-Sym program. We benchmarked RNA-MoIP on a set of 9 RNAs with sizes varying from 53 to 128 nucleotides. We show that our approach (i) improves the accuracy of canonical base pair predictions; (ii) identifies the best secondary structures in a pool of suboptimal structures; and (iii) predicts accurate 3D structures of large RNA molecules. RNA-MoIP is publicly available at: http://csb.cs.mcgill.ca/RNAMoIP.

  16. 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.

  17. Description of the cohomology of Banach algebras and locally convex algebras in the language of A∞-structures

    International Nuclear Information System (INIS)

    Smirnov, V A; Kuznetsova, S V; Mayorova, I V

    1998-01-01

    We consider the following problem: how can one apply the methods employed for describing the cohomology of algebras and based on the use of the A ∞ -structures of Stasheff to describe the cohomology of Banach algebras and locally convex algebras

  18. 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.

  19. 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.

  20. 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.

  1. Local structure of LiCoO2 nanoparticles studied by Co K-edge x-ray absorption spectroscopy

    Science.gov (United States)

    Maugeri, L.; Iadecola, A.; Joseph, B.; Simonelli, L.; Olivi, L.; Okubo, M.; Honma, I.; Wadati, H.; Mizokawa, T.; Saini, N. L.

    2012-08-01

    We have studied the local structure of LiCoO2 nanoparticles by Co K-edge x-ray absorption spectroscopy as a function of particle size. Extended x-ray absorption fine structure data reveal substantial changes in the near neighbor distances and the associated mean square relative displacements with decreasing particle size. X-ray absorption near edge structure spectra show clear local geometrical changes with decreasing particle size, similar to those that appear in the charging (delithiation) process. The results suggest that the LiCoO2 nanoparticles are characterized by a large atomic disorder confined to the Co-O octahedra, similar to the distortions generated during the delithiation, and this disorder should be the primary limiting factor for a reversible diffusion of Li ions when nanoparticles of LiCoO2 are used as cathode material in rechargeable Li ion batteries.

  2. Local Structure Determination of Carbon/Nickel Ferrite Composite Nanofibers Probed by X-ray Absorption Spectroscopy.

    Science.gov (United States)

    Nilmoung, Sukunya; Kidkhunthod, Pinit; Maensiri, Santi

    2015-11-01

    Carbon/NiFe2O4 composite nanofibers have been successfully prepared by electrospinning method using a various concentration solution of Ni and Fe nitrates dispersed into polyacrylonitride (PAN) solution in N,N' dimethylformamide. The phase and mophology of PAN/NiFe2O4 composite samples were characterized and investigated by X-ray diffraction and scanning electron microscopy. The magnetic properties of the prepared samples were measured at ambient temperature by a vibrating sample magnetometer. It is found that all composite samples exhibit ferromagnetism. This could be local-structurally explained by the existed oxidation states of Ni2+ and Fe3+ in the samples. Moreover, local environments around Ni and Fe ions could be revealed by X-ray absorption spectroscopy (XAS) measurement including X-ray absorption near edge structure (XANES) and Extended X-ray absorption fine structure (EXAFS).

  3. Generation of Earthquake Ground Motion Considering Local Site Effects and Soil-Structure Interaction Analysis of Ancient Structures

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Kwan; Lee, J. S.; Yang, T. S.; Cho, J. R.; R, H. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-09-01

    In order to establish a correct correlation between them, mechanical characteristics of the ancient structures need to be investigated. Since sedimentary basins are preferred dwelling sites in ancient times, it is necessary to perform SSI analysis to derive correct correlation between the damage and ground motion intensity. Contents of Project are as follows: (1) Generation of stochastic earthquake ground motion considering source mechanism and site effects. (2) Analysis of seismic response of sedimentary basin. (3) Soil-structure interaction analysis of ancient structures (4) Investigation of dynamic response characteristics of ancient structure considering soil-structure interaction effects. A procedure is presented for generation of stochastic earthquake ground motion considering source mechanism and site effects. The simulation method proposed by Boore is used to generate the outcropping rock motion. The free field motion at the soil site is obtained by a convolution analysis. And for the study of wood structures, a nonlinear SDOF model is developed. The effects of soil-structure interaction on the behavior of the wood structures are found to be very minor. But the response can be significantly affected due to the intensity and frequency contents of the input motion. 13 refs., 6 tabs., 31 figs. (author)

  4. Anisotropic Velocity Structure near the Alpine Fault, New Zealand, from Shear Wave Splitting of Local Earthquakes

    Science.gov (United States)

    Savage, M. K.; Boese, C. M.; Townend, J.

    2015-12-01

    We use shear wave splitting of local earthquakes to characterize seismic anisotropy along the central portion of the transpressive, plate-bounding Alpine Fault and surrounding the Deep Fault Drilling Project (DFDP) boreholes. We combine data from the SAMBA network of 2 Hz borehole seismometers, the DFDP10 short-period surface network, and the GeoNet broadband network. Using the MFAST automatic shear wave splitting program applied to hand-picked S arrivals, 1.5 years of data yielded 15,902 measurements. Of these, 1291 measurements from 23 stations were of high quality (grades of A or B); their fast azimuths exhibit three predominant trends: one NE/SW, subparallel to the Alpine Fault, one perpendicular to it and the third E-W. The last of these, observed at the six stations closest to the fault, is roughly parallel to the maximum principal stress direction. Some stations show a single population of fast directions and others show two or more populations. We consider that the orientations are likely caused by a combination of stress-controlled, crack-induced anisotropy and structure-controlled anisotropy associated with the fault fabric and its interaction with the dominantly schistose rocks in the region. Delay times for the highest-quality measurements average 0.067±0.002 s, consistent with small splitting of the high-frequency phases (dominant frequencies 6.9±0.07 Hz) with short path lengths (4.5±0.09 s travel-time). If the anisotropy is present along the entire path, the percentage anisotropy is 1. 5%. However, delay times do not increase much with hypocentral distance, suggesting near-surface effects are dominant and hence that anisotropy is larger near the surface. To ensure the shear-wave splitting results do not depend on the particular algorithm used, a second semi-automated processing routine with different shear-wave splitting criteria is applied. A comparison of the results is anticipated to help to eliminate any possible artefacts.

  5. Local anesthetic-induced inhibition of human neutrophil priming: the influence of structure, lipophilicity, and charge

    NARCIS (Netherlands)

    Picardi, Susanne; Cartellieri, Sibylle; Groves, Danja; Hahnenekamp, Klaus; Gerner, Peter; Durieux, Marcel E.; Stevens, Markus F.; Lirk, Philipp; Hollmann, Markus W.

    2013-01-01

    Local anesthetics (LAs) are widely known for inhibition of voltage-gated sodium channels underlying their antiarrhythmic and antinociceptive effects. However, LAs have significant immunomodulatory properties and were shown to affect human neutrophil functions independent of sodium-channel blockade.

  6. 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.

  7. 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.)

  8. 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.

  9. Local coordination structure and electronic structure of the large electron mobility amorphous oxide semiconductor In-Ga-Zn-O: Experiment and ab initio calculations

    International Nuclear Information System (INIS)

    Nomura, Kenji; Ohta, Hiromichi; Hirano, Masahiro; Kamiya, Toshio; Uruga, Tomoya; Hosono, Hideo

    2007-01-01

    Ionic amorphous oxide semiconductors (IAOSs) are new materials for flexible thin film transistors that exhibit field-effect mobilities of ∼10 cm 2 V -1 s -1 [K. Nomura et al., Nature 488, 432 (2004)]. The local coordination structure in an IAOS, In-Ga-Zn-O (a-IGZO), was examined using extended x-ray absorption fine structure analysis combined with ab initio calculations. The short-range ordering and coordination structures in a-IGZO are similar to those in the corresponding crystalline phase, InGaZnO 4 , and edge-sharing structures consisting of In-O polyhedra remain in the amorphous structure. The In 3+ 5s orbitals form an extended state with a band effective mass of ∼0.2m e at the conduction band bottom

  10. 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

    the ideal, undistorted rock-salt structure. NEXMEM employs a simple procedure to normalize extracted structure factors to the atomic form factors. The NDD is reconstructed by performing maximum entropy calculations on the normalized structure factors. NEXMEM has been validated by testing against simulated...

  11. 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)

  12. Lack of congruence in species diversity indices and community structures of planktonic groups based on local environmental factors.

    Science.gov (United States)

    Doi, Hideyuki; Chang, Kwang-Hyeon; Nishibe, Yuichiro; Imai, Hiroyuki; Nakano, Shin-ichi

    2013-01-01

    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.

  13. Local electronic and geometrical structures of hydrogen-bonded complexes studied by soft X-ray spectroscopy

    International Nuclear Information System (INIS)

    Luo, Y.

    2004-01-01

    Full text: The hydrogen bond is one of the most important forms of intermolecular interactions. It occurs in all-important components of life. However, the electronic structures of hydrogen-bonded complexes in liquid phases have long been difficult to determine due to the lack of proper experimental techniques. In this talk, a recent joint theoretical and experimental effort to understand hydrogen bonding in liquid water and alcohol/water mixtures using synchrotron radiation based soft-X-ray spectroscopy will be presented. The complexity of the liquid systems has made it impossible to interpret the spectra with physical intuition alone. Theoretical simulations have thus played an essential role in understanding the spectra and providing valuable insights on the local geometrical and electronic structures of these liquids. Our study sheds light on a 40-year controversy over what kinds of molecular structures are formed in pure liquid methanol. It also suggests an explanation for the well-known puzzle of why alcohol and water do not mix completely: the system must balance nature's tendency toward greater disorder (entropy) with the molecules' tendency to form hydrogen bonds. The observation of electron sharing and broken hydrogen bonding local structures in liquid water will be presented. The possible use of X-ray spectroscopy to determinate the local arrangements of hydrogen-bonded nanostructures will also been discussed

  14. Limited Pollen Dispersal Contributes to Population Genetic Structure but Not Local Adaptation in Quercus oleoides Forests of Costa Rica.

    Directory of Open Access Journals (Sweden)

    Nicholas John Deacon

    Full Text Available Quercus oleoides Cham. and Schlect., tropical live oak, is a species of conservation importance in its southern range limit of northwestern Costa Rica. It occurs in high-density stands across a fragmented landscape spanning a contrasting elevation and precipitation gradient. We examined genetic diversity and spatial genetic structure in this geographically isolated and genetically distinct population. We characterized population genetic diversity at 11 nuclear microsatellite loci in 260 individuals from 13 sites. We monitored flowering time at 10 sites, and characterized the local environment in order to compare observed spatial genetic structure to hypotheses of isolation-by-distance and isolation-by-environment. Finally, we quantified pollen dispersal distances and tested for local adaptation through a reciprocal transplant experiment in order to experimentally address these hypotheses.High genetic diversity is maintained in the population and the genetic variation is significantly structured among sampled sites. We identified 5 distinct genetic clusters and average pollen dispersal predominately occurred over short distances. Differences among sites in flowering phenology and environmental factors, however, were not strictly associated with genetic differentiation. Growth and survival of upland and lowland progeny in their native and foreign environments was expected to exhibit evidence of local adaptation due to the more extreme dry season in the lowlands. Seedlings planted in the lowland garden experienced much higher mortality than seedlings in the upland garden, but we did not identify evidence for local adaptation.Overall, this study indicates that the Costa Rican Q. oleoides population has a rich population genetic history. Despite environmental heterogeneity and habitat fragmentation, isolation-by-distance and isolation-by-environment alone do not explain spatial genetic structure. These results add to studies of genetic structure by

  15. Structural basis for the geometry-driven localization of a small protein

    Science.gov (United States)

    Gill, Richard L.; Castaing, Jean-Philippe; Hsin, Jen; Tan, Irene S.; Wang, Xingsheng; Huang, Kerwyn Casey; Tian, Fang; Ramamurthi, Kumaran S.

    2015-01-01

    In bacteria, certain shape-sensing proteins localize to differently curved membranes. During sporulation in Bacillus subtilis, the only convex (positively curved) surface in the cell is the forespore, an approximately spherical internal organelle. Previously, we demonstrated that SpoVM localizes to the forespore by preferentially adsorbing onto slightly convex membranes. Here, we used NMR and molecular dynamics simulations of SpoVM and a localization mutant (SpoVMP9A) to reveal that SpoVM’s atypical amphipathic α-helix inserts deeply into the membrane and interacts extensively with acyl chains to sense packing differences in differently curved membranes. Based on binding to spherical supported lipid bilayers and Monte Carlo simulations, we hypothesize that SpoVM’s membrane insertion, along with potential cooperative interactions with other SpoVM molecules in the lipid bilayer, drives its preferential localization onto slightly convex membranes. Such a mechanism, which is distinct from that used by high curvature-sensing proteins, may be widely conserved for the localization of proteins onto the surface of cellular organelles. PMID:25825747

  16. Physical modeling of river spanning rock structures: Evaluating interstitial flow, local hydraulics, downstream scour development, and structure stability

    Science.gov (United States)

    Collins, K.L.; Thornton, C.I.; Mefford, B.; Holmquist-Johnson, C. L.

    2009-01-01

    Rock weir and ramp structures uniquely serve a necessary role in river management: to meet water deliveries in an ecologically sound manner. Uses include functioning as low head diversion dams, permitting fish passage, creating habitat diversity, and stabilizing stream banks and profiles. Existing information on design and performance of in-stream rock structures does not provide the guidance necessary to implement repeatable and sustainable construction and retrofit techniques. As widespread use of rock structures increases, the need for reliable design methods with a broad range of applicability at individual sites grows as well. Rigorous laboratory testing programs were implemented at the U.S. Bureau of Reclamation (Reclamation) and at Colorado State University (CSU) as part of a multifaceted research project focused on expanding the current knowledge base and developing design methods to improve the success rate of river spanning rock structures in meeting project goals. Physical modeling at Reclamation is being used to measure, predict, and reduce interstitial flow through rock ramps. CSU is using physical testing to quantify and predict scour development downstream of rock weirs and its impact on the stability of rock structures. ?? 2009 ASCE.

  17. The sheaf-theoretic structure of non-locality and contextuality

    International Nuclear Information System (INIS)

    Abramsky, Samson; Brandenburger, Adam

    2011-01-01

    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. (paper)

  18. 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.

  19. Evaluation of structural change and local strain distribution in polymers comparatively imaged by FFSA and OCT techniques

    Directory of Open Access Journals (Sweden)

    E. Leiss-Holzinger

    2012-03-01

    Full Text Available Mechanical material testing combined with optical coherence tomography (OCT allows for the first time the immediate detection of inner structural changes along with a qualitative observation of the local strain distribution in surface near bulk regions of semitransparent and translucent specimens. In addition to a 3D full field strain analysis (FFSA system based on digital image correlation (DIC, a customized spectral domain OCT system operating at 1550 nm was applied for investigation. Exemplified by tensile testing of elastomer particle filled polypropylene specimens, local dissimilarity evaluation of the OCT images was performed. The results show the high potential of OCT to provide complementary information to DIC-based FFSA, like to identify processes influencing the remaining life of advanced commodity plastics such as the start and progress of yielding, identification of the yielding point, localization of the necking front and the development of small scale voids as in the case of matrix crazing.

  20. 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.

  1. 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.

  2. 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.

  3. Local Structure and Magnetic Properties of Fe 50 Cr 40 Si 10 Nanocrystalline Alloys

    Science.gov (United States)

    Tarigan, K.; Sebayang, D.; Yu, S. C.; Yang, D. S.

    2018-03-01

    The structural and the magnetic properties of nanocrystalline Fe 50 Cr 40 Si 10 alloys were prepared via mechanical alloying by using Fe, Cr, and Si elements with 1- to 24 hrs milling times. Structural analysis based on X-ray diffraction and Extended X-ray absorption fine structure spectroscopy. Concerning the magnetic behavior, the data obtained from a vibrating sample magnetometer at 300 K shows that both the magnetic saturation and the coercivity are dependent strongly on the milling time and the crystallite size. By adjusting the milling time, both appropriate structural transformation and magnetization values are obtained.

  4. Investigation of 1-D crustal velocity structure beneath Izmir Gulf and surroundings by using local earthquakes

    International Nuclear Information System (INIS)

    Polat, Orhan; Özer, Çaglar

    2016-01-01

    In this study; we examined one dimensional crustal velocity structure of Izmir gulf and surroundings. We used nearly one thousand high quality (A and B class) earthquake data which recorded by Disaster and Emergency Management Presidency (AFAD) [1], Bogazici University (BU-KOERI) [2] and National Observatory of Athens (NOA) [3,4]. We tried several synthetic tests to understand power of new velocity structure, and examined phase residuals, RMS values and shifting tests. After evaluating these tests; we decided one dimensional velocity structure and minimum 1-D P wave velocities, hypocentral parameter and earthquake locations from VELEST algorithm. Distribution of earthquakes was visibly improved by using new minimum velocity structure.

  5. Localized ''pseudofracture'' type of pathologic reconstruction of costal bone structure following surgical and radiation treatment of breast cancer

    International Nuclear Information System (INIS)

    Grigorov, G.; Dobrev, D.; Syrmadzhieva, S.; Todorov, J.

    1978-01-01

    In a study of the X-ray images of the thorax of 469 women, who had undergone operative treatment and postoperative radiation therapy of breast cancer, the authors detected in 11 patients the localized ''pseudofracture'' type of pathologic reconstruction of the costal bone structure. In 10 patients the changes were localized in the anterior part of the second ribs, and in one - in the anterior part of the 5th rib. They were detected on X-ray examination 11 to 15 months after the onset of radiation treatment and clinically ran a symptomless course. Roentgenographically the changes consisted in: transverse rarefication strips with perifocal streaky densities; transverse rarefication strips and fine pseudocystic reconstruction of the adjacent bone structure; transverse rarefication strips with a gradual reconstruction of the adjacent lateral segment of the rib, till its complete roentgenologic disappearance. There was no periosteal reaction. The second and the third type of X-ray changes resembled metastasis. (author)

  6. 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.

  7. Generalized non-Local Resistance Expression and its Application in F/N/F Spintronic Structure with Graphene Channel

    Science.gov (United States)

    Wei, Huazhou; Fu, Shiwei

    We report our work on the spin transport properties in the F/N/F(ferromagnets/normal metal/ferromagnets) spintronic structure from a new theoretical perspective. A significant problem in the field is to explain the inferior measured order of magnitude for spin lifetime. Based on the known non-local resistance formula and the mechanism analysis of spin-flipping within the interfaces between F and N, we analytically derive a broadly applicable new non-local resistance expression and a generalized Hanle curve formula. After employing them in the F/N/F structure under different limits, especially in the case of graphene channel, we find that the fitting from experimental data would yield a longer spin lifetime, which approaches its theoretical predicted value in graphene. The authors acknowledge the financial support by China University of Petroleum-Beijing and the Key Laboratory of Optical Detection Technology for Oil and Gas in this institution.

  8. Electronic structure of the actinide-Rh3 systems and the 5f localization in UPd3

    DEFF Research Database (Denmark)

    Eriksson, Olle; Johansson, Börje; Brooks, M. S. S.

    1989-01-01

    We present electronic-structure calculations for the isostructural (AuCu3-structure) series of intermetallic compounds ARh3 (A=Ac, Th, Pa, U, Np, Pu, Am, and Cm). The calculations were performed using both the scalar relativistic and the fully relativistic linear muffin-tin orbital (LMTO) method........ The localization of the 5f electrons in UPd3 as opposed to the itinerant 5f behavior for the earlier compounds (UMo3, UTc3 , URu3, and URh3) is explained in terms of the variation of the hybridization between 5f and ligand 4d states through the series....

  9. 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.

  10. The crystal structure and morphology of NiO-YSZ composite that prepared from local zircon concentrate of Bangka Island

    Science.gov (United States)

    Rahmawati, F.; Apriyani, K.; Heraldy, E.; Soepriyanto, S.

    2016-03-01

    In order to increase the economic value of local zircon concentrate from Bangka Island, NiO-YSZ was synthesized from Zirconia, ZrO2 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.

  11. Localized Retinal Nerve Fiber Layer Defects in Red-free Photographs Versus En Face Structural Optical Coherence Tomography Images.

    Science.gov (United States)

    Jung, Jae Hoon; Park, Ji-Hye; Yoo, Chungkwon; Kim, Yong Yeon

    2018-03-01

    The purpose of this article is to compare the locations of localized retinal nerve fiber layer (RNFL) defects in red-free fundus photographs and optical coherence tomography (OCT) en face images. We performed a retrospective, comparative study on 46 eyes from 46 glaucoma patients with localized RNFL defects observed in red-free fundus photographs. En face structural images were obtained in the superficial and whole retinal layers using OCT and were overlaid on the corresponding red-free fundus photographs. The proximal/distal angular locations and angular width of each RNFL defect in red-free photos (red-free defects) and in en face structural images (en face defects) were compared. In the superficial retinal layer, there were no significant differences between red-free and en face defects on the proximal/distal angular location and angular width. In the whole retinal layer, the degree of the distal angular location of the en face defects was significantly larger than that of the red-free defects (71.85±18.26 vs. 70.87±17.90 degrees, P=0.003). The correlations of clinical variables with the differences in angular parameters between red-free and en face defects were not significant in the superficial retinal layer. The average RNFL thickness was negatively correlated with the difference in the distal angular location in the whole retinal layer (Pearson correlation coefficient=-0.401, P=0.006). Localized RNFL defects detected in OCT en face structural images of the superficial retinal layer showed high topographic correlation with defects detected in red-free photographs. OCT en face structural images in the superficial layer may be an alternative to red-free fundus photography for the identification of localized RNFL defects in glaucomatous eyes.

  12. Localized Structures on Periodic Background Wave of (2+1)-Dimensional Boiti-Leon-Pempinelli System via an Object Reduction

    Science.gov (United States)

    Fang, Jian-Ping; Ma, Song-Hua; Fei, Jin-Xi; Hong, Bi-Hai; Zheng, Chun-Long

    2007-11-01

    In this paper, we present an object reduction for nonlinear partial differential equations. As a concrete example of its applications in physical problems, this method is applied to the (2+1)-dimensional Boiti-Leon-Pempinelli system, which has the extensive physics background, and an abundance of exact solutions is derived from some reduction equations. Based on the derived solutions, the localized structures under the periodic wave background are obtained.

  13. 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 ...

  14. A Solid-State NMR Experiment: Analysis of Local Structural Environments in Phosphate Glasses

    Science.gov (United States)

    Anderson, Stanley E.; Saiki, David; Eckert, Hellmut; Meise-Gresch, Karin

    2004-01-01

    An experiment that can be used to directly study the local chemical environments of phosphorus in solid amorphous materials is demonstrated. The experiment aims at familiarizing the students of chemistry with the principles of solid-state NMR, by having them synthesize a simple phosphate glass, and making them observe the (super 31)P NMR spectrum,…

  15. 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

  16. 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

  17. Low Temperature Local Structure of Multierroic of ReMn2O5

    Science.gov (United States)

    Gao, Peng; Masadeh, A.; Tyson, T. A.; Proffen, Th.; Goche, S.; Cheong, S.-W.

    2010-03-01

    The temperature dependent structure of the REMn2O5 (REe=rare earth) system has been examined by the Neutron and X-ray pair distribution function method based on high-q data. Comparisons with Rietveld and XAFS measurements will be made. The detailed temperature dependent structure on multiple length scales will be presented.

  18. 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.

  19. 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

    2017-11-21

    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.

  20. 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

  1. Establishing the solubility and local structure(s) of Amorphous Calcium Carbonate (ACC): Toward an understanding of invertebrate biomineralization

    Science.gov (United States)

    Mergelsberg, S. T.; Ulrich, R. N.; Michel, F. M.; Dove, P. M.

    2017-12-01

    Recent advances in high-resolution imaging show the widespreadd occurrence of multistep pathways to mineralization in biological and geological settings (De Yoreo et al., 2015, Science). For example, carbonate biomineralization often involves precipitation of amorphous calcium carbonate (ACC) as a reactive intermediate that subsequently transforms to crystalline products with diverse structures. Although current carbonate mineral proxies are based upon the composition of final crystalline products, the final signatures may be recording the properties of the initial amorphous phase. Thus, it is critical to establish the physical properties of ACC and understand the factors that influence its evolution to final products at conditions that approximate biological environments. This disconnect limits our ability to build a process-based understanding of when/how minor and trace elements are recorded in mineral composition proxies. In this experimental study, we quantified the chemical and physical properties of ACC and its evolution to final products. We first determined ACC solubility under controlled chemical conditions using a new type of flow-through reactor developed by our research group (Blue and Dove, 2015, GCA; Blue et al., 2017, GCA). The experimental design varied Mg concentration and total alkalinity while maintaining a mild pH that approximates biological environments. ACC solubility was measured at specific time points during the precipitation (from super- and undersaturated conditions) and during its subsequent evolution. Parallel experiments characterized the structure of the corresponding amorphous products using in situ pair distribution function (PDF) and small-angle x-ray scattering (SAXS) analyses. The measurements demonstrate at least two types of ACC can be produced by tuning Mg concentration and alkalinity. Each "phase" exhibits distinct short-range ordering that demonstrates structure-specific solubility. We also find temporal changes in the

  2. 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.

  3. 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...... present in PbX. In the future it may be used for widespread characterization of subtle atomic features in crystals with unusual properties....

  4. Local and average structures of 0.7Pb(Mg1/3Nb2/3)O3 - 0.3PbZrO3

    International Nuclear Information System (INIS)

    Krishna, P.S.R.; Shinde, A.B.; Narasimhan, S.L.; Tiwari, V.S.; Singh, G.

    2005-01-01

    The local and average structure of 0.7Pb(Mg 1/3 Nb 2/3 )O 3 - 0.3PbZrO 3 (PMN-PZ) was studied by neutron diffraction. The Rietveld refinement was carried out to determine the average, long-range crystallographic structure, while the pair density function (PDF) analysis was used in studying the local atomic structure. The local atomic structure determined by the PDF analysis, was found to be significantly different from the average crystallographic structure determined by the Rietveld analysis. These results show that the conflict between the local structural preference and the average structure is not limited to relax or ferroelectric oxides, but may be widely prevalent in mixed-ion ferroelectrics. (author)

  5. Local interfacial structure of subcooled boiling flow in a heated annulus

    International Nuclear Information System (INIS)

    Lee, Tae-Ho; Kim, Seong-O; Yun, Byong-Jo; Park, Goon-Cherl; Hibiki, Takashi

    2008-01-01

    Local measurements of flow parameters were performed for vertical upward subcooled boiling flows in an internally heated annulus. The annulus channel consisted of an inner heater rod with a diameter of 19.0 mm and an outer round tube with an inner diameter of 37.5 mm, and the hydraulic equivalent diameter was 18.5 mm. The double-sensor conductivity probe method was used for measuring the local void fraction, interfacial area concentration, bubble Sauter mean diameter and gas velocity, whereas the miniature Pitot tube was used for measuring the local liquid velocity. A total of 32 data sets were acquired consisting of various combinations of heat flux, 88.1-350.9 kW/m 2 , mass flux, 469.7-1061.4kg(m 2 s) and inlet liquid temperature, 83.8-100.5degC. Six existing drift-flux models, six exiting correlations of the interfacial area concentration and bubble layer thickness model were evaluated using the data obtained in the experiment. (author)

  6. The Forms of Child and Family Help Within the Local Government Structures

    Directory of Open Access Journals (Sweden)

    ELŻBIETA ZIEJA

    2017-10-01

    Full Text Available The problem of development of the forms of help being given to a child and family by local governments has been attracting the society's attention in Poland since the beginning of the 1990 s. The analyzed forms of family and child in local communities is only a certain element of the whole care and educational system aimed at achieving European standards. Short statistics of the described reports of the Ministry of Work and Social Politics and the data of Santa Claus Fund have allowed the author to look into the development of these kinds of help operating in local communities over last decade. Describing the tasks of parish and district councils can differentiate after the legislator the most significant forms of care and support for families in children such as protected flats, specialized family guidance, special centers for families in crisis, day care homes, educational centers, community centers, social and therapeutic centers and clubs. The reformed system of child and family care in Poland is based on the development of family support and preventive actions that correspond with the international law and good practice standards and the main stream of changes in the countries- members of the European Union. The proposed contents are to get people acquainted with the issues of care, upbringing, support and professional assistance for a child and family in their environment

  7. PHBV/PAM scaffolds with local oriented structure through UV polymerization for tissue engineering.

    Science.gov (United States)

    Ke, Yu; Wu, Gang; Wang, Yingjun

    2014-01-01

    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.

  8. Local structural displacements across the structural phase transition in IrTe2: Order-disorder of dimers and role of Ir-Te correlations

    Science.gov (United States)

    Joseph, B.; Bendele, M.; Simonelli, L.; Maugeri, L.; Pyon, S.; Kudo, K.; Nohara, M.; Mizokawa, T.; Saini, N. L.

    2013-12-01

    We have studied local structure of IrTe2 by Ir L3-edge extended x-ray absorption fine structure (EXAFS) measurements as a function of temperature to investigate origin of the observed structural phase transition at Ts˜270 K. The EXAFS results show an appearance of longer Ir-Te bond length (ΔR ˜0.05 Å) at T

  9. 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.

  10. 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

  11. 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.

  12. 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

    of the resources using immigrant and migrant labour, working intensively over a period of time, while living in shantytowns. Both local and international experiences show that such an organization of work life is not attractive for the population, and that it often provides significant human and social challenges...... 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....

  13. Reliability based topology optimization for continuum structures with local failure constraints

    DEFF Research Database (Denmark)

    Luo, Yangjun; Zhou, Mingdong; Wang, Michael Yu

    2014-01-01

    is employed to aggregate the selected active constraints using a general K–S function, which avoids expensive computational cost from the large-scale nature of local failure constraints. Several numerical examples are given to demonstrate the validity of the present method.......-related) target performance constraints. In order to overcome the stress singularity phenomenon caused by the combined stress and reliability constraints, a reduction strategy on target reliability index is proposed and utilized together with the ε-relaxation approach. Meanwhile, an enhanced aggregation method...

  14. 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.

  15. Prediction of individual differences in risky behavior in young adults via variations in local brain structure

    Science.gov (United States)

    Nasiriavanaki, Zahra; ArianNik, Mohsen; Abbassian, Abdolhosein; Mahmoudi, Elham; Roufigari, Neda; Shahzadi, Sohrab; Nasiriavanaki, Mohammadreza; Bahrami, Bahador

    2015-01-01

    In recent years the problem of how inter-individual differences play a role in risk-taking behavior has become a much debated issue. We investigated this problem based on the well-known balloon analog risk task (BART) in 48 healthy subjects in which participants inflate a virtual balloon opting for a higher score in the face of a riskier chance of the balloon explosion. In this study, based on a structural Voxel Based Morphometry (VBM) technique we demonstrate a significant positive correlation between BART score and size of the gray matter volume in the anterior insula in riskier subjects. Although the anterior insula is among the candidate brain areas that were involved in the risk taking behavior in fMRI studies, here based on our structural data it is the only area that was significantly related to structural variation among different subjects. PMID:26500482

  16. Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond.

    Science.gov (United States)

    Olivier, E J; Neethling, J H; Kroon, R E; Naidoo, S R; Allen, C S; Sawada, H; van Aken, P A; Kirkland, A I

    2018-03-01

    In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

  17. Theory of localized bipolar wave-structures and nonthermal particle distributions in the auroral ionosphere

    Directory of Open Access Journals (Sweden)

    M. V. Goldman

    1999-01-01

    Full Text Available Bipolar wave structures and nonthermal particle distributions measured by the FAST satellite in regions of downward current are interpreted in terms of the nonlinear evolution of a two-stream instability. The instability results in holes, both in the electron distribution in phase space and in the electron density in real space. The wave potential energy, which traps the electrons, has a single minimum, and the associated electric field is bipolar. The early bipolar structures are coherent over hundreds of Debye lengths in the direction perpendicular to the magnetic field. After thousands of plasma periods the perpendicular coherence is lost, the structures break up, and electrostatic whistlers begin to dominate. Simulations and preliminary analysis of this breakup and emission process are presented.

  18. Gain of local structure in an amphipathic peptide does not require a specific tertiary framework.

    Science.gov (United States)

    Roman, Ernesto A; Rosi, Pablo; González Lebrero, Mariano C; Wuilloud, Rodolfo; González Flecha, F Luis; Delfino, José M; Santos, Javier

    2010-10-01

    In this work, we studied how an amphipathic peptide of the surface of the globular protein thioredoxin, TRX94-108, acquires a native-like structure when it becomes involved in an apolar interaction network. We designed peptide variants where the tendency to form alpha-helical conformation is modulated by replacing each of the leucine amino acid residues by an alanine. The induction of structure caused by sodium dodecyl sulfate (SDS) binding was studied by capillary zone electrophoresis, circular dichroism, DOSY-NMR, and molecular dynamics simulations (MDS). In addition, we analyzed the strength of the interaction between a C18 RP-HPLC matrix and the peptides. The results presented here reveal that (a) critical elements in the sequence of the wild-type peptide stabilize a SDS/peptide supramolecular cluster; (b) the hydrophobic nature of the interaction between SDS molecules and the peptide constrains the ensemble of conformations; (c) nonspecific apolar surfaces are sufficient to stabilize peptide secondary structure. Remarkably, MDS shed light on a contact network formed by a limited number of SDS molecules that serves as a structural scaffold preserving the helical conformation of this module. This mechanism might prevail when a peptide with low helical propensity is involved in structure consolidation. We suggest that folding of peptides sharing this feature does not require a preformed tightly-packed protein core. Thus, the formation of specific tertiary interactions would be the consequence of peptide folding and not its cause. In this scenario, folding might be thought of as a process that includes unspecific rounds of structure stabilization guiding the protein to the native state. 2010 Wiley-Liss, Inc.

  19. Nanoscale characterization of local structures and defects in photonic crystals using synchrotron-based transmission soft X-ray microscopy

    Science.gov (United States)

    Nho, Hyun Woo; Kalegowda, Yogesh; Shin, Hyun-Joon; Yoon, Tae Hyun

    2016-01-01

    For the structural characterization of the polystyrene (PS)-based photonic crystals (PCs), fast and direct imaging capabilities of full field transmission X-ray microscopy (TXM) were demonstrated at soft X-ray energy. PS-based PCs were prepared on an O2-plasma treated Si3N4 window and their local structures and defects were investigated using this label-free TXM technique with an image acquisition speed of ~10 sec/frame and marginal radiation damage. Micro-domains of face-centered cubic (FCC (111)) and hexagonal close-packed (HCP (0001)) structures were dominantly found in PS-based PCs, while point and line defects, FCC (100), and 12-fold symmetry structures were also identified as minor components. Additionally, in situ observation capability for hydrated samples and 3D tomographic reconstruction of TXM images were also demonstrated. This soft X-ray full field TXM technique with faster image acquisition speed, in situ observation, and 3D tomography capability can be complementally used with the other X-ray microscopic techniques (i.e., scanning transmission X-ray microscopy, STXM) as well as conventional characterization methods (e.g., electron microscopic and optical/fluorescence microscopic techniques) for clearer structure identification of self-assembled PCs and better understanding of the relationship between their structures and resultant optical properties. PMID:27087141

  20. 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...

  1. 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...

  2. X-ray absorption in GaGdN: A study of local structure

    Science.gov (United States)

    Martínez-Criado, G.; Sancho-Juan, O.; Garro, N.; Sans, J. A.; Cantarero, A.; Susini, J.; Roever, M.; Mai, D.-D.; Bedoya-Pinto, A.; Malindretos, J.; Rizzi, A.

    2008-07-01

    In this study, we report on the incorporation of dilute Gd amounts into GaN films grown by molecular beam epitaxy. A combination of x-ray fluorescence with x-ray absorption spectroscopic techniques enabled us to examine not only the distribution of rare earth atoms in the GaN matrix but also the short-range structural order. Our results show Gd atoms in a trivalent state with tetrahedral coordination, thus substituting Ga in the wurtzite GaN structure.

  3. X-ray absorption in GaGdN: A study of local structure

    International Nuclear Information System (INIS)

    Martinez-Criado, G.; Sans, J. A.; Susini, J.; Sancho-Juan, O.; Cantarero, A.; Garro, N.; Roever, M.; Mai, D.-D.; Bedoya-Pinto, A.; Malindretos, J.; Rizzi, A.

    2008-01-01

    In this study, we report on the incorporation of dilute Gd amounts into GaN films grown by molecular beam epitaxy. A combination of x-ray fluorescence with x-ray absorption spectroscopic techniques enabled us to examine not only the distribution of rare earth atoms in the GaN matrix but also the short-range structural order. Our results show Gd atoms in a trivalent state with tetrahedral coordination, thus substituting Ga in the wurtzite GaN structure

  4. Local Structure of Superionic Glass Agx(GeSe31-x, x=0.565

    Directory of Open Access Journals (Sweden)

    Eon Sung Nark

    2011-05-01

    Full Text Available To investigate relation between inhomogeneous structure of Agx(GeSe31-x superionic glass and conduction path formation, x-ray diffraction, neutron diffraction and EXAFS measurements on K-edges for each constituent were performed. Reverse Monte Carlo structural modelling based on these experimental data revealed that Ag conduction paths are formed in random glass media of GeSe4 tetrahedral network. The first sharp diffraction peak (FSDP located at 1.1 Å-1 is mainly contributed by GeSe4 network, while an observed intense small angle scattering is contributed also by Ag-Ag as well as GeSe4 network.

  5. 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.

  6. 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.

  7. Abstract structure of partial function $*$-algebras over semi-direct product of locally compact groups

    Directory of Open Access Journals (Sweden)

    Arash Ghaani Farashahi

    2015-12-01

    Full Text Available This article presents a unified approach to the abstract notions of partial convolution and involution in $L^p$-function spaces over semi-direct product of locally compact groups. Let $H$ and $K$ be locally compact groups and $tau:Hto Aut(K$ be a continuous homomorphism.  Let $G_tau=Hltimes_tau K$ be the semi-direct product of $H$ and $K$ with respect to $tau$. We define left and right $tau$-convolution on $L^1(G_tau$ and we show that, with respect to each of them, the function space $L^1(G_tau$ is a Banach algebra. We define $tau$-convolution as a linear combination of the left and right $tau$-convolution and we show that the $tau$-convolution is commutative if and only if $K$ is abelian. We prove that there is a $tau$-involution on $L^1(G_tau$ such that with respect to the $tau$-involution and $tau$-convolution, $L^1(G_tau$ is a non-associative Banach $*$-algebra. It is also shown that when $K$ is abelian, the $tau$-involution and $tau$-convolution make $L^1(G_tau$ into a Jordan Banach $*$-algebra. Finally, we also present the generalized notation of $tau$-convolution for other $L^p$-spaces with $p>1$.

  8. Local Farm Structure and Community Ties. Rural Development Research Report Number 68.

    Science.gov (United States)

    Carlin, Thomas A.; Green, Bernal L.

    Whether large-scale or small farms dominate, a county's farm structure is influenced not only by changes within farming but also by key factors such as nonfarm economic activity, geography, and population growth. Large-farm counties where agriculture dominates the economy are concentrated in the Plains, Midwest, and Mississippi Delta. Small-farm…

  9. 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…

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. Disorder in materials with complex crystal structures: the Non-Local Coherent Potential Approximation for compounds with multiple sublattices

    Science.gov (United States)

    Marmodoro, A.; Staunton, J. B.

    2011-03-01

    Over the last few years the Non-Local Coherent Potential Approximation (NL-CPA) has been shown to provide an effective way to describe the electronic structure and related properties of disordered systems, where short-range order (SRO) and other local environment effects are important. Here we present its generalization to materials with multi-atom per unit cell lattices. The method is described using a Green function formalism and illustrated by an implementation for a simplified one-dimensional tight-binding model with substitutional disorder. This development paves the way for a natural reimplementation of the Korringa-Kohn-Rostoker (KKR) multiple scattering solution of Kohn-Sham equations for ab-initio calculations of real materials.

  15. Formation of localized structures in bistable systems through nonlocal spatial coupling. II. The nonlocal Ginzburg-Landau equation.

    Science.gov (United States)

    Gelens, Lendert; Matías, Manuel A; Gomila, Damià; Dorissen, Tom; Colet, Pere

    2014-01-01

    We study the influence of a linear nonlocal spatial coupling on the interaction of fronts connecting two equivalent stable states in the prototypical 1-dimensional real Ginzburg-Landau equation. While for local coupling the fronts are always monotonic and therefore the dynamical behavior leads to coarsening and the annihilation of pairs of fronts, nonlocal terms can induce spatial oscillations in the front, allowing for the creation of localized structures, emerging from pinning between two fronts. We show this for three different nonlocal influence kernels. The first two, mod-exponential and Gaussian, are positive definite and decay exponentially or faster, while the third one, a Mexican-hat kernel, is not positive definite.

  16. 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.

  17. Finite element modeling of temperature load effects on the vibration of local modes in multi-cable structures

    Science.gov (United States)

    Treyssède, Fabien

    2018-01-01

    Understanding thermal effects on the vibration of local (cable-dominant) modes in multi-cable structures is a complicated task. The main difficulty lies in the modification by temperature change of cable tensions, which are then undetermined. This paper applies a finite element procedure to investigate the effects of thermal loads on the linear dynamics of prestressed self-weighted multi-cable structures. Provided that boundary conditions are carefully handled, the discretization of cables with nonlinear curved beam elements can properly represent the thermoelastic behavior of cables as well as their linearized dynamics. A three-step procedure that aims to replace applied pretension forces with displacement continuity conditions is used. Despite an increase in the computational cost related to beam rotational degrees of freedom, such an approach has several advantages. Nonlinear beam finite elements are usually available in commercial codes. The overall method follows a thermoelastic geometrically non-linear analysis and hereby includes the main sources of non-linearities in multi-cable structures. The effects of cable bending stiffness, which can be significant, are also naturally accounted for. The accuracy of the numerical approach is assessed thanks to an analytical model for the vibration of a single inclined cable under temperature change. Then, the effects of thermal loads are investigated for two cable bridges, highlighting how natural frequencies can be affected by temperature. Although counterintuitive, a reverse relative change of natural frequency may occur for certain local modes. This phenomenon can be explained by two distinct mechanisms, one related to the physics intrinsic to cables and the other related to the thermal deflection of the superstructure. Numerical results show that cables cannot be isolated from the rest of the structure and the importance of modeling the whole structure for a quantitative analysis of temperature effects on the

  18. Structures of Xishan village landslide in Li County, Sichuan, China, inferred from high-frequency receiver functions of local earthquakes

    Science.gov (United States)

    Wei, Z.; Chu, R.

    2017-12-01

    Teleseismic receiver function methods are widely used to study the deep structural information beneath the seismic station. However, teleseismic waveforms are difficult to extract the high-frequency receiver function, which are insufficient to constrain the shallow structure because of the inelastic attenuation effect of the earth. In this study, using the local earthquake waveforms collected from 3 broadband stations deployed on the Xishan village landslide in Li County in Sichuan Province, we used the high-frequency receiver function method to study the shallow structure beneath the landslide. We developed the Vp-k (Vp/Vs) staking method of receiver functions, and combined with the H-k stacking and waveform inversion methods of receiver functions to invert the landslide's thickness, S-wave velocity and average Vp/Vs ratio beneath these stations, and compared the thickness with the borehole results. Our results show small-scale lateral variety of velocity structure, a 78-143m/s lower S-wave velocity in the bottom layer and 2.4-3.1 Vp/Vs ratio in the landslide. The observed high Vp/Vs ratio and low S-wave velocity in the bottom layer of the landslide are consistent with low electrical resistivity and water-rich in the bottom layer, suggesting a weak shear strength and potential danger zone in landslide h1. Our study suggest that the local earthquake receiver function can obtain the shallow velocity structural information and supply some seismic constrains for the landslide catastrophe mitigation.

  19. Dependence of Self-Assembled Peptide Hydrogel Network Structure on Local Fibril Nanostructure

    Science.gov (United States)

    Hule, Rohan A.; Nagarkar, Radhika P.; Hammouda, Boualem; Schneider, Joel P.; Pochan, Darrin J.

    2011-01-01

    Physically cross-linked, fibrillar hydrogel networks are formed by the self-assembly of β-hairpin peptide molecules with varying degrees of strand asymmetry. The peptide registry in the self-assembled state can be used as a design element to generate fibrils with twisting, nontwisting, or laminated morphology. The mass density of the networks varies significantly, and can be directly related to the local fibrillar morphology as evidenced by small angle neutron scattering (SANS) and in situ substantiation using cryogenic transmission electron microscopy (cryo-TEM) under identical concentrations and conditions. Similarly, the density of the network is dependent on changes in the peptide concentration. Bulk rheological properties of the hydrogels can be correlated to the fibrillar nanostructure, with the stiffer, laminated fibrils forming networks with a higher G′ as compared to the flexible, singular fibrillar networks. PMID:21566682

  20. 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...... and beetles near Narsarsuaq, South Greenland between 8 July and 25 August, 2014 from 112 pitfall traps. The traps were arranged in eight plots covering local gradients in either soil moisture or tall shrub dominance at both low and high elevation. Multivariate generalized linear models revealed that community...... 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...

  1. Total scattering investigation of materials for clean energy applications: the importance of the local structure.

    Science.gov (United States)

    Malavasi, Lorenzo

    2011-04-21

    In this Perspective article we give an account of the application of total scattering methods and pair distribution function (PDF) analysis to the investigation of materials for clean energy applications such as materials for solid oxide fuel cells and lithium batteries, in order to show the power of this technique in providing new insights into the structure-property correlation in this class of materials.

  2. Localized zinc distribution in shark vertebrae suggests differential deposition during ontogeny and across vertebral structures.

    Science.gov (United States)

    Raoult, Vincent; Howell, Nicholas; Zahra, David; Peddemors, Victor M; Howard, Daryl L; de Jonge, Martin D; Buchan, Benjamin L; Williamson, Jane E

    2018-01-01

    The development of shark vertebrae and the possible drivers of inter- and intra-specific differences in vertebral structure are poorly understood. Shark vertebrae are used to examine life-history traits related to trophic ecology, movement patterns, and the management of fisheries; a better understanding of their development would be beneficial to many fields of research that rely on these calcified structures. This study used Scanning X-ray Fluorescence Microscopy to observe zinc distribution within vertebrae of ten shark species from five different orders. Zinc was mostly localised within the intermedialis and was generally detected at levels an order of magnitude lower in the corpus calcareum. In most species, zinc concentrations were higher pre-birth mark, indicating a high rate of pre-natal zinc deposition. These results suggest there are inter-specific differences in elemental deposition within vertebrae. Since the deposition of zinc is physiologically-driven, these differences suggest that the processes of growth and deposition are potentially different in the intermedialis and corpus calcareum, and that caution should be taken when extrapolating information such as annual growth bands from one structure to the other. Together these results suggest that the high inter-specific variation in vertebral zinc deposition and associated physiologies may explain the varying effectiveness of ageing methodologies applied to elasmobranch vertebrae.

  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

    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.

  6. Fission, fusion and annihilation in the interaction of localized structures for the (2 + 1)-dimensional generalized Broer-Kaup system

    International Nuclear Information System (INIS)

    Yomba, Emmanuel; Peng, Yan-ze

    2006-01-01

    Based on the WTC truncation method and the general variable separation approach (GVSA), we have first found a general solution including three arbitrary functions for the (2 + 1)-dimensional simplified generalized Broer-Kaup (GBK) system (B = 0). A class of double periodic wave solutions is obtained by selecting these arbitrary functions appropriately. The interaction properties of the periodic waves are numerically studied and found to be non-elastic. Limit cases are considered and some new localized coherent structures are obtained, the interaction properties of these solutions reveal that some of them are completely elastic and some are non-completely elastic. After that, starting from the (2 + 1)-dimensional GBK system (B ≠ 0) and using the variable separation approach (VSA) including two arbitrary functions in the general solution, we have constructed by selecting the two arbitrary functions appropriately a rich variety of new coherent structures. The interaction properties of these structures reveal new physical properties like fusion, fission, or both and present mutual annihilation of these solutions as time increasing. The annihilation in this model has found to be rule by the parameter K 1 , when this parameter is taken to be zero, the annihilation disappears in this model and the above mentioned structures recover the solitonic structure properties

  7. Acoustic emission energy b-value for local damage evaluation in reinforced concrete structures subjected to seismic loadings

    Science.gov (United States)

    Sagasta, Francisco; Zitto, Miguel E.; Piotrkowski, Rosa; Benavent-Climent, Amadeo; Suarez, Elisabet; Gallego, Antolino

    2018-03-01

    A modification of the original b-value (Gutenberg-Richter parameter) is proposed to evaluate local damage of reinforced concrete structures subjected to dynamical loads via the acoustic emission (AE) method. The modification, shortly called energy b-value, is based on the use of the true energy of the AE signals instead of its peak amplitude, traditionally used for the calculation of b-value. The proposal is physically supported by the strong correlation between the plastic strain energy dissipated by the specimen and the true energy of the AE signals released during its deformation and cracking process, previously demonstrated by the authors in several publications. AE data analysis consisted in the use of guard sensors and the Continuous Wavelet Transform in order to separate primary and secondary emissions as much as possible according to particular frequency bands. The approach has been experimentally applied to the AE signals coming from a scaled reinforced concrete frame structure, which was subjected to sequential seismic loads of incremental acceleration peak by means of a 3 × 3 m2 shaking table. For this specimen two beam-column connections-one exterior and one interior-were instrumented with wide band low frequency sensors properly attached on the structure. Evolution of the energy b-value along the loading process accompanies the evolution of the severe damage at the critical regions of the structure (beam-column connections), thus making promising its use for structural health monitoring purposes.

  8. Germs of local automorphisms of real analytic CR structures and analytic dependence on the k-jets

    OpenAIRE

    ZAITSEV, DMITRI

    1997-01-01

    PUBLISHED The topic of the paper is the study of germs of local holomorphisms f between Cn and Cn ? such that f(M) #26; M? and df(TcM) = TcM? for M #26; Cn and M? #26; Cn ? generic real-analytic CR submanifolds of arbitrary codimensions. It is proved that for M minimal and M? finitely nondegenerate, such germs depend analytically on their jets. As a corollary, an analytic structure on the set of all germs of this type is obtained.

  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. Turbulent intermittent structure in non-homogeneous non-local flows

    Science.gov (United States)

    Mahjoub, O. B.; Castilla, R.; Vindel, J. M.; Redondo, J. M.

    2010-05-01

    Data from SABLES98 experimental campaign have been used in order to study the influence of stability (from weak to strong stratification) on intermittency [1]. Standard instrumentation, 14 thermocouples and 3 sonic anemometers at three levels (5.8, 13.5 and 32 m) were available in September 1998 and calculations are done in order to evaluate structure functions and the scale to scale characteristics. Using BDF [2-4] as well as other models of cascades, the spectral equilibrium values were used to calculate fluxes of momentum and heat as well as non-homogeneous models and the turbulent mixing produced. The differences in structure and higher order moments between stable, convective and neutral turbulence were used to identify differences in turbulent intermittent mixing and velocity PDF's. The intermittency of atmospheric turbulence in strongly stable situations affected by buoyancy and internal waves are seen to modify the structure functions exponents and intermittency, depending on the modulus of the Richardson's number,Ri, as well as of the Monin-Obukhov and Ozmidov lengthscales. The topological aspects of the turbulence affected by stratification reduce the vertical length-scales to a maximum described by the Thorpe and the Ozmidov lenth-scales, but intermittency, Kurtosis and other higher order descriptors of the turbulence based on spectral wavelet analysis are also affected in a complex way [5,6]. The relationship between stratification, intermittency, µ(Ri) and the fractal dimension of the stable flows and between the dispersion, the fractal dimension are discussed. The data analyzed is from the campaign SABLES-98 at the north-west Iberian Peninsula plateau.(Cuxart et al. 2000). Conditional statistics of the relationship between µ(Ri) are confirmed as in (Vindel et al 2008)[4] and compared with laboratory experiments and with 2D-3D aspects of the turbulence cascade. The use of BDF [3] model comparing the corresponding relative scaling exponents which are

  11. 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.

  12. Prediction of individual differences in risky behavior in young adults via variations in local brain structure

    OpenAIRE

    Nasiriavanaki, Zahra; ArianNik, Mohsen; Abbassian, Abdolhosein; Mahmoudi, Elham; Roufigari, Neda; Shahzadi, Sohrab; Nasiriavanaki, Mohammadreza; Bahrami, Bahador

    2015-01-01

    In recent years the problem of how inter-individual differences play a role in risk-taking behavior has become a much debated issue. We investigated this problem based on the well-known balloon analog risk task (BART) in 48 healthy subjects in which participants inflate a virtual balloon opting for a higher score in the face of a riskier chance of the balloon explosion. In this study, based on a structural Voxel Based Morphometry (VBM) technique we demonstrate a significant positive correlati...

  13. Prediction of individual differences in risky behaviour in young adults via variations in local brain structure

    OpenAIRE

    Zahra eNasiriavanaki; Mohsen eArianNik; Abdolhosein eAbbassian; Abdolhosein eAbbassian; Elham eMahmoudi; Sohrab eShahzadi; Neda eRoufigari; Mohammadreza eNasiriavanaki; Bahador eBahrami

    2015-01-01

    In recent years the problem of how inter-individual differences play a role in risk-taking behaviour has become a much debated issue. We investigated this problem based on the well-known balloon analogue risk task (BART) in which participants inflate a virtual balloon opting for a higher score in the face of a riskier chance of the balloon explosion. In this study, based on a structural Voxel Based Morphometry (VBM) technique we demonstrate a significant positive correlation between BART scor...

  14. Local atomic structure and chemical order in amorphous SiGe:H and SiC:H alloys

    International Nuclear Information System (INIS)

    Pisarkiewicz, T.; Stapinski, T.

    1994-01-01

    The local structure and chemical ordering in amorphous hydrogenated silicon-germanium and silicon-carbon alloys were analyzed mainly with the help of extended x-ray absorption fine structure (EXAFS) spectroscopy, Raman scattering and electron diffraction. Ge-Ge and Ge-Si distances were found to be independent of concentration and the composition of the first coordination shell around Ge is consistent with a random mixing of the two species in a-Si 1-x Ge:H alloy. The first-coordination-shell average bond lengths for Si-Si and SiC in a-Si 1-x C x :H are also constant with concentration x and the comparison of the first coordination shell composition around Si with average concentration indicates that the alloys tends to be chemically ordered. The degree of crystallinity in microcrystalline Si films determined by EXAFS is in agreement with that obtained in Raman scattering analysis. (author). 16 refs, 5 figs

  15. Electronic Structures Localized at the Boron Atom in Amorphous Fe-B and Fe-B-P Alloys

    Science.gov (United States)

    Yasuda, Hidehiro; Nakayama, Hiroshi; Fujita, Hiroshi

    1989-11-01

    The electronic structures localized at the B in amorphous Fe-B and Fe-B-P alloys and their crystallized alloys were studied by Auger valence electron spectroscopy and the states of solute B are discussed based on the change in the degree of covalent bonding and the charge transfer between the Fe and B atoms. In amorphous phases, the charge transfers from Fe to B above 15at%B where B atoms occupy the substitutionallike situations, and from B to Fe below 15at%B where B atoms occupy the interstitiallike situations. Magnetic properties depend on such states of solute B. In crystalline phases, covalent bonding becomes dominant because the electron excitation occurs to the B2p state. Consequently, amorphous phases are more metallic in character than crystalline phases and amorphous structures are stabilized by a mixture of more than two different bonding states.

  16. Modular structure of local algebras associated with massless free quantum fields

    International Nuclear Information System (INIS)

    Hislop, P.D.

    1984-01-01

    The Tomita modular operators and the duality property for the local von Neumann algebras in quantum field models describing free massless particles with arbitrary helicity are studied. It is proved that the representation of the Poincare group in each model extends to a unitary representation SU(2,2), a covering group of the conformal group. An irreducible set of standard linear fields is shown to be covariant with respect to this representation. The von Neumann algebras associated with wedge, double-cone, and lightcone regions generated by these fields are proved to be unitarily equivalent. Using the results of Bisognano and Wichmann, the modular operators for these algebras are obtained in explicit form as conformal transformations and the duality property is proved. In the bose case, it is shown that the double-cone algebras constructed from any irreducible set of linear fields not including the standard fields do not satisfy duality and that any non-standard linear fields are not conformally covariant. A simple proof of duality, independent of the Tomita-Takesaki theory, for the double-cone algebras in the scalar case is also presented

  17. 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.

  18. Optimisation of the power generation structure of autonomous local systems; Optimierung der Erzeugungsstruktur lokaler Inselsysteme

    Energy Technology Data Exchange (ETDEWEB)

    Plettner-Marliani, J.

    2000-07-01

    A cost-optimised power generation concept for autonomous local systems is developed on the basis of stochastic simulation of the operation process combined with a superposed optimisation algorithm based on evolutionary strategies. This way, the minimum cost system can be identified taking into account the meteorological data, loads, economic boundary conditions and desired reliability of supply. Variable loads can be considered as well as the option of combined heat and power generation. The results are presented in detail for several systems and system combinations. [German] Zum Auffinden der kostenoptimalen Erzeugungskombination fuer lokale Inselsysteme wurde ein neues Verfahren entwickelt, das aus einer stochastischen Systembetriebssimulation und einem ueberlagerten Optimierungsalgorithmus auf der Basis von evolutionaeren Strategien besteht. Damit ist es moeglich, in Abhaengigkeit von dem meteorologischen Dargebot, den Lasten, den oekonomischen Randbedingungen und der geforderten Erzeugungszuverlaessigkeit das Erzeugungssystem mit den geringsten Kosten zu ermitteln. Das Verfahren erlaubt weiterhin die Beruecksichtigung steuerbarer Lasten und die Bewertung einer gekoppelten Strom- und Waermeerzeugung durch Kraft-Waerme-Kopplungsanlagen. Photovoltaische Anlagen und Stunden-Batteriespeicher sind nur bei sehr hohen Dieselkraftstoffkosten und vernachlaessigbarem Winddargebot wirtschaftlich. Eine hohe Erzeugungszuverlaessigkeit ist allein durch zusaetzliche Dieselgeneratoren wirtschaftlich zu erreichen und nur mit geringen Mehrkosten verbunden. Sind im Erzeugungssystem Komponenten eingesetzt, die sehr unzuverlaessig sind, kann dies nur durch eine Erhoehung der Anzahl der Dieselgeneratoren kompensiert werden. Allein wenn dargebotsabhaengige Erzeugungseinheiten oft ausfallen, steigen die Kosten stark an. (orig.)

  19. Effects of local texture and grain structure on the sputtering performance of tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Michaluk, C.A. [Cabot Performance Metals, Boyertown, PA (United States); Field, D.P.; Nibur, K.A. [Washington State Univ., Pullman, WA (United States); Wright, S.I.; Witt, R.A. [EDX/TSL, Draper, UT (United States)

    2002-07-01

    Tantalum and tantalum-based thin films have gained precedence as the diffusion barrier for copper interconnects used in the latest generation of integrated circuits (ICs). The paper presents insight and observations on the covariance of texture and grain size of wrought tantalum sputtering targets and their influence on sputtering performance. Previous studies involving deposition trials of tantalum targets of varying metallurgical character had demonstrated that both grain size and textural homogeneity is critical for assuring reliable sputtering performance of tantalum. Subsequently, a model had been proposed to prescribe how localized texture bands and orientation clusters in tantalum are effectively resistant to sputter erosion. In this paper, results of atomic force microscopy (AFM) and orientation imaging microscopy (OIM{sup TM}) analyses on the eroded surface of a tantalum sputtering target are presented. Initial findings support the model's hypothesis regarding the erosion mechanics of crystallites with respect to grain size and discrete orientation. However, additional work is necessary to understand the formation and erosion of facet planes in polycrystalline tantalum sputtering targets. (orig.)

  20. 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...

  1. 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.

  2. Local structure of semicrystalline P3HT films probed by nanofocused coherent X-rays.

    Science.gov (United States)

    Kurta, Ruslan P; Grodd, Linda; Mikayelyan, Eduard; Gorobtsov, Oleg Y; Zaluzhnyy, Ivan A; Fratoddi, Ilaria; Venditti, Iole; Russo, Maria Vittoria; Sprung, Michael; Vartanyants, Ivan A; Grigorian, Souren

    2015-03-21

    The hidden structural properties of semicrystalline polymer films are revealed by nanofocused X-ray scattering studies. X-ray cross-correlation analysis (XCCA) is employed to diffraction patterns from blends of poly(3-hexylthiophene) (P3HT) with gold nanoparticles (AuNPs). Spatially resolved maps of orientational distribution of crystalline domains allow us to distinguish sample regions of predominant face-on morphology, with a continuous transition to edge-on morphology. The average size of crystalline domains was determined to be of the order of 10 nm. As compared to pristine P3HT film, the P3HT/AuNPs blend is characterized by substantial ordering of crystalline domains, which can be induced by Au nanoparticles. The inhomogeneous structure of the polymer film is clearly visualized on the spatially resolved nanoscale 2D maps obtained using XCCA. Our results suggest that the observed changes of the polymer matrix within crystalline regions can be attributed to nanoconfinement in the presence of gold nanoparticles.

  3. 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 ...

  4. Photoluminescence properties and local electronic structures of rare earth-activated Sr3AlO4F

    International Nuclear Information System (INIS)

    Fang, Y.; Li, Y.Q.; Qiu, T.; Delsing, A.C.A.; With, G. de; Hintzen, H.T.

    2010-01-01

    Photoluminescence properties and local electronic structures of rare earth (Eu 3+ and Ce 3+ ) activated Sr 3 AlO 4 F have been studied. X-ray powder diffraction data indicated that the activator ions of Eu 3+ and Ce 3+ can be incorporated into the Sr 3 AlO 4 F lattice and formed limited solid solutions of Sr 3-2x Ln x Na x AlO 4 F (Ln = Eu, Ce) with Na + as a charge compensator ion. The local structure around Sr sites was initially explored using Eu-activated Sr 3 AlO 4 F as a structural probe. Sr 3 AlO 4 F:Eu 3+ exhibits orange-red emission ranging from 520 to 740 nm with a maximum peak at about 619 nm mainly originating from the 5 D 0 → 7 F J (J = 0, 1, 2, 3, 4) transitions, indicating that Eu exists mainly in the trivalent state due to a strong oxidative lattice in Sr 3 AlO 4 F. Sr 3 AlO 4 F:Ce 3+ shows an unusual long-wavelength 4f → 5d excitation band of Ce 3+ at about 405 nm due to a large crystal field splitting of the 5d levels of Ce 3+ in relation to its crystal structure. Under near-UV excitation in the range of 375-405 nm, Sr 3 AlO 4 F:Ce 3+ exhibits efficient blue-green emission at about 506 nm. Given high absorption and efficient excitation in the near-UV region, Sr 3 AlO 4 F:Ce 3+ demonstrates a potential blue-green emitting phosphor for applications in white LED lighting.

  5. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    International Nuclear Information System (INIS)

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-01-01

    Polycrystalline Ca 3 Co 4−x Fe x O 9+δ ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca 3 Co 4−x Fe x O 9+δ structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca 2 CoO 3 (rocksalt, RS) layer rather than in the CoO 2 layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO 2 and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO 2 layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: • Synthesis, structural studies, and thermoelectric properties of Ca 3 Co 4−x Fe x O 9+δ . • Direct evidence for the local structure of the Fe ions in the Ca 3 Co 4−x Fe x O 9+δ using XAS analysis. • EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. • Changes in TE property with Fe content was due to charge transfer between the CoO 2 and the RS layers. • Total energy calculation showed energetically favorable Fe

  6. 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

  7. 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

  8. 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 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.

  9. Structural determination of importin alpha in complex with beak and feather disease virus capsid nuclear localization signal

    International Nuclear Information System (INIS)

    Patterson, Edward I.; Dombrovski, Andrew K.; Swarbrick, Crystall M.D.; Raidal, Shane R.; Forwood, Jade K.

    2013-01-01

    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. 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.

  11. 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.

  12. Orientation-weighted local Minkowski functionals in 3D for quantitative assessment of trabecular bone structure in the hip

    Science.gov (United States)

    Boehm, H. F.; Bitterling, H.; Weber, C.; Kuhn, V.; Eckstein, F.; Reiser, M.

    2007-03-01

    Fragility fractures or pathologic fractures of the hip, i.e. fractures with no apparent trauma, represent the worst complication in osteoporosis with a mortality close to 25% during the first post-traumatic year. Over 90% of hip fractures result from falls from standing height. A substantial number of femoral fractures are initiated in the femoral neck or the trochanteric regions which contain an internal architecture of trabeculae that are functionally highly specialized to withstand the complex pattern of external and internal forces associated with human gait. Prediction of the mechanical strength of bone tissue can be achieved by dedicated texture analysis of data obtained by high resolution imaging modalities, e.g. computed tomography (CT) or magnetic resonance tomography (MRI). Since in the case of the proximal femur, the connectivity, regional distribution and - most of all - the preferred orientation of individual trabeculae change considerably within narrow spatial limits, it seems most reasonable to evaluate the femoral bone structure on an orientation-weighted, local scale. In past studies, we could demonstrate the advantages of topological analysis of bone structure using the Minkowski Functionals in 3D on a global and on a local scale. The current study was designed to test the hypothesis that the prediction of the mechanical competence of the proximal femur by a new algorithm considering orientational changes of topological properties in the trabecular architecture is feasible and better suited than conventional methods based on the measurement of the mineral density of bone tissue (BMD).

  13. Local atomic and electronic structure in glassy metallic alloys. Final report, March 1, 1979-May 31, 1982

    International Nuclear Information System (INIS)

    Messmer, R.P.; Wong, J.

    1982-01-01

    The research results reported, represent the first coordinated experimental-theoretical effort to arrive at important local atomic and electronic structure information in glassy alloys. During the three years covered by the contract, significant experimental and theoretical developments have taken place both in the general technical community and at General Electric which have had an important impact on the approach to this problem. This is particularly true in the theoretical area where two important advances, the development of a general Xα-LCAO approach, and the development of a general and accurate effective potential approach for density functional methods, have allowed us to construct a new computational capability which combines these two advances. Two subsections briefly review the experimental and theoretical technical developments, respectively. These developments have changed initial perspectives regarding research on local atomic and electronic structure in glassy metallic alloys. Section II presents a synopsis of our accomplishments during the contract period and Section III contains a more detailed discussion of some of these accomplishments, namely those portions of the work which have been published or submitted for publication at the time of writing this final report

  14. 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

    and that at the back is caused by wave breaking/wave overtopping. It was found that the streaming-induced scour is governed by the free-board-to-wave-height ratio, F /H, and the Keulegan–Carpenter number, KC, while the plunging-breakerinduced scour is governed by the free-board-to-water-depth ratio, F /h......, and the plunger parameter, Tw ffiffiffi gH p =h (Tw being the wave period). The maximum scour depth at the toe of the structure and the plan-view extent of the scour hole are given in terms of the governing parameters. The results from the present laboratory tests (for the roundhead scour) are compared with prototype...

  15. 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.

  16. 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.

  17. Hydrogen bonds and local symmetry in the crystal structure of gibbsite.

    Science.gov (United States)

    Vyalikh, Anastasia; Zesewitz, Konrad; Scheler, Ulrich

    2010-11-01

    First-principles quantum mechanical calculations of NMR chemical shifts and quadrupolar parameters have been carried out to assign the (27)Al MAS NMR resonances in gibbsite. The (27)Al NMR spectrum shows two signals for octahedral aluminum revealing two aluminum sites coordinated by six hydroxyl groups each, although the crystallographic positions of the two Al sites show little difference. The presence of two distinguished (27)Al NMR resonances characterized by rather similar chemical shifts but quadrupolar coupling constants differing by roughly a factor of two is explained by different character of the hydrogen bonds, in which the hydroxyls forming the corresponding octahedron around each aluminum site, are involved. The Al-I site characterized by a C(Q) = 4.6 MHz is surrounded by OH-groups participating in four intralayer and two interlayer hydrogen bonds, while the Al-II site with the smaller quadrupolar constant (2.2 MHz) is coordinated by hydroxides, of which two point toward the intralayer cavities and four OH-bonds are aligned toward the interlayer gallery. In high-resolution solid-state (1)H CRAMPS (combination of rotation and multiple-pulse spectroscopy) four signals with an intensity ratio of 1:2:2:1 are resolved which allow to distinguish six nonequivalent hydrogen sites reported in the gibbsite crystal structure and to ascribe them to two types of structural OH groups associated with intralayer and interlayer hydrogen bonds. This study can be applied to characterize the gibbsite-like layer-intergallery interactions associated with hydrogen bonding in the more complex systems, such as synthetic aluminum layered double hydroxides. 2010 John Wiley & Sons, Ltd.

  18. Application of the local-to-global approach to the study of infilled frame structures under seismic loading

    International Nuclear Information System (INIS)

    Combescure, D.

    2000-01-01

    The seismic performance of civil engineering structures may be estimated by using two levels of modelling. At the local level, each constituent has its own constitutive law and geometric finite element support. The main phenomena such as the cracking and the crushing of concrete and masonry could be reproduced by using the continuous damage or plasticity theories. However the cost of the computations does not allow extensive or dynamic studies and thus the global level - where the constitutive laws based on empirical rules reproduce the behaviour of the structural elements - represents the unique strategy for the analysis of complete civil engineering structures under seismic loading. The present paper aims at presenting the application of these two modelling levels in order to assess the seismic performance of masonry infilled R/C frame structures. The one-bay masonry infilled frames tested at Lisbon under cyclic loading and the four-storey building tested at ELSA have been used for the validation of the modelling approach. (orig.)

  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. 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