WorldWideScience

Sample records for carbon-containing polyhedral boron-cluster

  1. Metal interactions with boron clusters

    International Nuclear Information System (INIS)

    Grimes, R.N.

    1982-01-01

    This book presents information on the following topics: the structural and bonding features of metallaboranes and metallacarboranes; transition-metal derivatives of nido-boranes and some related species; interactions of metal groups with the octahydrotriborate (1-) anion, B 3 H 8 ; metallaboron cage compounds of the main group metals; closo-carborane-metal complexes containing metal-carbon and metal-boron omega-bonds; electrochemistry of metallaboron cage compounds; and boron clusters with transition metal-hydrogen bonds

  2. Stealth amphiphiles: self-assembly of polyhedral boron clusters

    Czech Academy of Sciences Publication Activity Database

    Ďorďovič, V.; Tošner, Z.; Uchman, M.; Zhigunov, Alexander; Reza, M.; Ruokolainen, J.; Pramanik, Goutam; Cígler, Petr; Kalíková, K.; Gradzielski, M.; Matějíček, P.

    2016-01-01

    Roč. 32, č. 26 (2016), s. 6713-6722 ISSN 0743-7463 R&D Projects: GA ČR(CZ) GA14-14608S Institutional support: RVO:61389013 ; RVO:61388963 Keywords : surfactant micelle formation * air-water-interface * light-scattering Subject RIV: CD - Macromolecular Chemistry; CA - Inorganic Chemistry (UOCHB-X) Impact factor: 3.833, year: 2016

  3. Polyhedral patterns

    KAUST Repository

    Jiang, Caigui; Tang, Chengcheng; Vaxman, Amir; Wonka, Peter; Pottmann, Helmut

    2015-01-01

    We study the design and optimization of polyhedral patterns, which are patterns of planar polygonal faces on freeform surfaces. Working with polyhedral patterns is desirable in architectural geometry and industrial design. However, the classical

  4. Polyhedral patterns

    KAUST Repository

    Jiang, Caigui

    2015-10-27

    We study the design and optimization of polyhedral patterns, which are patterns of planar polygonal faces on freeform surfaces. Working with polyhedral patterns is desirable in architectural geometry and industrial design. However, the classical tiling patterns on the plane must take on various shapes in order to faithfully and feasibly approximate curved surfaces. We define and analyze the deformations these tiles must undertake to account for curvature, and discover the symmetries that remain invariant under such deformations. We propose a novel method to regularize polyhedral patterns while maintaining these symmetries into a plethora of aesthetic and feasible patterns.

  5. Smooth polyhedral surfaces

    KAUST Repository

    Gü nther, Felix; Jiang, Caigui; Pottmann, Helmut

    2017-01-01

    Polyhedral surfaces are fundamental objects in architectural geometry and industrial design. Whereas closeness of a given mesh to a smooth reference surface and its suitability for numerical simulations were already studied extensively, the aim of our work is to find and to discuss suitable assessments of smoothness of polyhedral surfaces that only take the geometry of the polyhedral surface itself into account. Motivated by analogies to classical differential geometry, we propose a theory of smoothness of polyhedral surfaces including suitable notions of normal vectors, tangent planes, asymptotic directions, and parabolic curves that are invariant under projective transformations. It is remarkable that seemingly mild conditions significantly limit the shapes of faces of a smooth polyhedral surface. Besides being of theoretical interest, we believe that smoothness of polyhedral surfaces is of interest in the architectural context, where vertices and edges of polyhedral surfaces are highly visible.

  6. Smooth polyhedral surfaces

    KAUST Repository

    Günther, Felix

    2017-03-15

    Polyhedral surfaces are fundamental objects in architectural geometry and industrial design. Whereas closeness of a given mesh to a smooth reference surface and its suitability for numerical simulations were already studied extensively, the aim of our work is to find and to discuss suitable assessments of smoothness of polyhedral surfaces that only take the geometry of the polyhedral surface itself into account. Motivated by analogies to classical differential geometry, we propose a theory of smoothness of polyhedral surfaces including suitable notions of normal vectors, tangent planes, asymptotic directions, and parabolic curves that are invariant under projective transformations. It is remarkable that seemingly mild conditions significantly limit the shapes of faces of a smooth polyhedral surface. Besides being of theoretical interest, we believe that smoothness of polyhedral surfaces is of interest in the architectural context, where vertices and edges of polyhedral surfaces are highly visible.

  7. Indirect photometric detection of boron cluster anions electrophoretically separated in methanol

    Czech Academy of Sciences Publication Activity Database

    Vítová, Lada; Fojt, Lukáš; Vespalec, Radim

    2014-01-01

    Roč. 1338, APR 2014 (2014), s. 174-183 ISSN 0021-9673 Institutional support: RVO:68081707 Keywords : Boron cluster * Capillary electrophoresis * Indirect photometry Subject RIV: BO - Biophysics Impact factor: 4.169, year: 2014

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  9. Indirect photometric detection of boron cluster anions electrophoretically separated in methanol.

    Science.gov (United States)

    Vítová, Lada; Fojt, Lukáš; Vespalec, Radim

    2014-04-18

    3,5-Dinitrobenzoate and picrate are light absorbing anions pertinent to indirect photometric detection of boron cluster anions in buffered methanolic background electrolytes (BGEs). Tris(hydroxymethyl)aminomethane and morpholine have been used as buffering bases, which eliminated baseline steps, and minimized the baseline noise. In methanolic BGEs, mobilities of boron cluster anions depend on both ionic constituents of the BGE buffer. This dependence can be explained by ion pair interaction of detected anions with BGE cations, which are not bonded into ion pairs with the BGE anions. The former ion pair interaction decreases sensitivity of the indirect photometric detection. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Guided basin-hopping search of small boron clusters with density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melacca Campus, 75450 Melaka (Malaysia)

    2015-04-24

    The search for the ground state structures of Boron clusters has been a difficult computational task due to the unique metalloid nature of Boron atom. Previous research works had overcome the problem in the search of the Boron ground-state structures by adding symmetry constraints prior to the process of locating the local minima in the potential energy surface (PES) of the Boron clusters. In this work, we shown that, with the deployment of a novel computational approach that incorporates density functional theory (DFT) into a guided global optimization search algorithm based on basin-hopping, it is possible to directly locate the local minima of small Boron clusters in the PES at the DFT level. The ground-state structures search algorithm as proposed in this work is initiated randomly and needs not a priori symmetry constraint artificially imposed throughout the search process. Small sized Boron clusters so obtained compare well to the results obtained by similar calculations in the literature. The electronic properties of each structures obtained are calculated within the DFT framework.

  11. Guided basin-hopping search of small boron clusters with density functional theory

    International Nuclear Information System (INIS)

    Ng, Wei Chun; Yoon, Tiem Leong; Lim, Thong Leng

    2015-01-01

    The search for the ground state structures of Boron clusters has been a difficult computational task due to the unique metalloid nature of Boron atom. Previous research works had overcome the problem in the search of the Boron ground-state structures by adding symmetry constraints prior to the process of locating the local minima in the potential energy surface (PES) of the Boron clusters. In this work, we shown that, with the deployment of a novel computational approach that incorporates density functional theory (DFT) into a guided global optimization search algorithm based on basin-hopping, it is possible to directly locate the local minima of small Boron clusters in the PES at the DFT level. The ground-state structures search algorithm as proposed in this work is initiated randomly and needs not a priori symmetry constraint artificially imposed throughout the search process. Small sized Boron clusters so obtained compare well to the results obtained by similar calculations in the literature. The electronic properties of each structures obtained are calculated within the DFT framework

  12. Structure of boron clusters revisited, Bn with n = 14-20

    Science.gov (United States)

    Tai, Truong Ba; Tam, Nguyen Minh; Nguyen, Minh Tho

    2012-03-01

    We reinvestigate the structures of neutral boron clusters Bn, with n = 14-20. G3B3 calculations confirm that a transition between 2D and 3D shape occurs at B20, which has a tubular form. In disagreement with Boustani et al. (Phys. Rev. B, 83 (2011) 193405), we find a planar B19 cluster. Standard heats of formation are obtained and used to evaluate the clusters stability. The average binding energy tends to increase with increasing size toward a limit. Higher stability is found B14, B16, B18 and B20. All Bn have negative NICS-values. The bonding nature and electron delocalization of B20 are re-examined using CMO and LOL.

  13. Hamiltonian cycles in polyhedral maps

    Indian Academy of Sciences (India)

    We present a necessary and sufficient condition for existence of a contractible, non-separating and non-contractible separating Hamiltonian cycle in the edge graph of polyhedral maps on surfaces.We also present algorithms to construct such cycles whenever it exists where one of them is linear time and another is ...

  14. Space-filling polyhedral sorbents

    Energy Technology Data Exchange (ETDEWEB)

    Haaland, Peter

    2016-06-21

    Solid sorbents, systems, and methods for pumping, storage, and purification of gases are disclosed. They derive from the dynamics of porous and free convection for specific gas/sorbent combinations and use space filling polyhedral microliths with facial aplanarities to produce sorbent arrays with interpenetrating interstitial manifolds of voids.

  15. Polyhedral combinatorics of UPGMA cones

    OpenAIRE

    Davidson, Ruth; Sullivant, Seth

    2013-01-01

    Distance-based methods such as UPGMA (Unweighted Pair Group Method with Arithmetic Mean) continue to play a significant role in phylogenetic research. We use polyhedral combinatorics to analyze the natural subdivision of the positive orthant induced by classifying the input vectors according to tree topologies returned by the algorithm. The partition lattice informs the study of UPGMA trees. We give a closed form for the extreme rays of UPGMA cones on n taxa, and compute the normalized volume...

  16. Interactive volume visualization of general polyhedral grids

    KAUST Repository

    Muigg, Philipp; Hadwiger, Markus; Doleisch, Helmut; Grö ller, Eduard M.

    2011-01-01

    This paper presents a novel framework for visualizing volumetric data specified on complex polyhedral grids, without the need to perform any kind of a priori tetrahedralization. These grids are composed of polyhedra that often are non

  17. Mesophase behaviour of polyhedral particles

    KAUST Repository

    Agarwal, Umang

    2011-02-13

    Translational and orientational excluded-volume fields encoded in particles with anisotropic shapes can lead to purely entropy-driven assembly of morphologies with specific order and symmetry. To elucidate this complex correlation, we carried out detailed Monte Carlo simulations of six convex space-filling polyhedrons, namely, truncated octahedrons, rhombic dodecahedrons, hexagonal prisms, cubes, gyrobifastigiums and triangular prisms. Simulations predict the formation of various new liquid-crystalline and plastic-crystalline phases at intermediate volume fractions. By correlating these findings with particle anisotropy and rotational symmetry, simple guidelines for predicting phase behaviour of polyhedral particles are proposed: high rotational symmetry is in general conducive to mesophase formation, with low anisotropy favouring plastic-solid behaviour and intermediate anisotropy (or high uniaxial anisotropy) favouring liquid-crystalline behaviour. It is also found that dynamical disorder is crucial in defining mesophase behaviour, and that the apparent kinetic barrier for the liquid-mesophase transition is much lower for liquid crystals (orientational order) than for plastic solids (translational order). © 2011 Macmillan Publishers Limited. All rights reserved.

  18. Mesophase behaviour of polyhedral particles

    KAUST Repository

    Agarwal, Umang; Escobedo, Fernando A.

    2011-01-01

    Translational and orientational excluded-volume fields encoded in particles with anisotropic shapes can lead to purely entropy-driven assembly of morphologies with specific order and symmetry. To elucidate this complex correlation, we carried out detailed Monte Carlo simulations of six convex space-filling polyhedrons, namely, truncated octahedrons, rhombic dodecahedrons, hexagonal prisms, cubes, gyrobifastigiums and triangular prisms. Simulations predict the formation of various new liquid-crystalline and plastic-crystalline phases at intermediate volume fractions. By correlating these findings with particle anisotropy and rotational symmetry, simple guidelines for predicting phase behaviour of polyhedral particles are proposed: high rotational symmetry is in general conducive to mesophase formation, with low anisotropy favouring plastic-solid behaviour and intermediate anisotropy (or high uniaxial anisotropy) favouring liquid-crystalline behaviour. It is also found that dynamical disorder is crucial in defining mesophase behaviour, and that the apparent kinetic barrier for the liquid-mesophase transition is much lower for liquid crystals (orientational order) than for plastic solids (translational order). © 2011 Macmillan Publishers Limited. All rights reserved.

  19. n-th Roots in finite polyhedral and centro-polyhedral groups

    Indian Academy of Sciences (India)

    Probability in finite groups; roots of elements; polyhedral groups; centro- polyhedral groups. 2010 Mathematics ... An element g of a finite group G is said to have an n-th root if there exists an element h ∈ G such that g = hn (n is a ..... For the proof of the fourth part, we must consider two cases: (i) m is odd and 4|d,. (ii) m, d are ...

  20. octamethyl-polyhedral oligomeric silsesquioxanes nanocomposites ...

    Indian Academy of Sciences (India)

    In this study, biodegradable poly(p-dioxanone) (PPDO)/octamethyl-polyhedral oligomeric silsesquioxanes (ome-POSS) nanocomposites were fabricated by the simple solution casting method with various ome-POSS loadings. Scanning electron microscopic observations indicate that ome-POSS is well dispersed in the ...

  1. Thermochemistry and electronic structure of small boron clusters (B(n), n = 5-13) and their anions.

    Science.gov (United States)

    Truong, Ba Tai; Grant, Daniel J; Nguyen, Minh Tho; Dixon, David A

    2010-01-21

    Thermochemical parameters of a set of small-sized neutral (B(n)) and anionic (B(n)(-)) boron clusters, with n = 5-13, were determined using coupled-cluster theory CCSD(T) calculations with the aug-cc-pVnZ (n = D, T, and Q) basis sets extrapolated to the complete basis set limit (CBS) plus addition corrections and/or G3B3 calculations. Enthalpies of formation, adiabatic electron affinities (EA), vertical (VDE), and adiabatic (ADE) detachment energies were evaluated. Our calculated EAs are in good agreement with recent experiments (values in eV): B(5) (CBS, 2.29; G3B3, 2.48; exptl., 2.33 +/- 0.02), B(6) (CBS, 2.59; G3B3, 3.23; exptl., 3.01 +/- 0.04), B(7) (CBS, 2.62; G3B3, 2.67; exptl., 2.55 +/- 0.05), B(8) (CBS, 3.02; G3B3, 3.11; exptl., 3.02 +/- 0.02), B(9) (G3B3, 3.03; exptl., 3.39 +/- 0.06), B(10) (G3B3, 2.85; exptl., 2.88 +/- 0.09), B(11) (G3B4, 3.48;, exptl., 3.43 +/- 0.01), B(12) (G3B3, 2.33; exptl., 2.21 +/- 0.04), and B(13) (G3B3, 3.62; exptl., 3.78 +/- 0.02). The difference between the calculated adiabatic electron affinity and the adiabatic detachment energy for B(6) is due to the fact that the geometry of the anion is not that of the ground-state neutral. The calculated adiabatic detachment energies to the (3)A(u), C(2h) and (1)A(g), D(2h) excited states of B(6), which have geometries similar to the (1)A(g), D(2h) state of B(6)(-), are 2.93 and 3.06 eV, in excellent agreement with experiment. The VDEs were also well reproduced by the calculations. Partitioning of the electron localization functions into pi and sigma components allows probing of the partial and local delocalization in global nonaromatic systems. The larger clusters appear to exhibit multiple aromaticity. The binding energies per atom vary in a parallel manner for both neutral and anionic series and approach the experimental value for the heat of atomization of B. The resonance energies and the normalized resonance energies are convenient indices to quantify the stabilization of a cluster

  2. n-th Roots in finite polyhedral and centro-polyhedral groups

    Indian Academy of Sciences (India)

    The probability that a randomly chosen element in a non-abelian finite group has a square root, has been investigated by certain authors in recent years. In this paper, this probability will be generalized for the -th roots when ≥ 2 and it will be computed for every finite polyhedral group and all of the finite ...

  3. Flexible Polyhedral Surfaces with Two Flat Poses

    Directory of Open Access Journals (Sweden)

    Hellmuth Stachel

    2015-05-01

    Full Text Available We present three types of polyhedral surfaces, which are continuously flexible and have not only an initial pose, where all faces are coplanar, but pass during their self-motion through another pose with coplanar faces (“flat pose”. These surfaces are examples of so-called rigid origami, since we only admit exact flexions, i.e., each face remains rigid during the motion; only the dihedral angles vary. We analyze the geometry behind Miura-ori and address Kokotsakis’ example of a flexible tessellation with the particular case of a cyclic quadrangle. Finally, we recall Bricard’s octahedra of Type 3 and their relation to strophoids.

  4. Polybenzoxazine/Polyhedral Oligomeric Silsesquioxane (POSS Nanocomposites

    Directory of Open Access Journals (Sweden)

    Mohamed Gamal Mohamed

    2016-06-01

    Full Text Available The organic/inorganic hybrid materials from polyhedral oligomeric silsesquioxane (POSS, inorganic nanoparticles and polybenzoxazine (PBZ have received much interesting recently due to their excellent thermal and mechanical properties, flame retardance, low dielectric constant, well-defined inorganic framework at nanosized scale level, and higher performance relative to those of non-hybrid PBZs. This review describes the synthesis, dielectric constants, and thermal, rheological, and mechanical properties of covalently bonded mono- and multifunctionalized benzoxazine POSS hybrids, other functionalized benzoxazine POSS derivatives, and non-covalently (hydrogen bonded benzoxazine POSS composites.

  5. Interactive volume visualization of general polyhedral grids

    KAUST Repository

    Muigg, Philipp

    2011-12-01

    This paper presents a novel framework for visualizing volumetric data specified on complex polyhedral grids, without the need to perform any kind of a priori tetrahedralization. These grids are composed of polyhedra that often are non-convex and have an arbitrary number of faces, where the faces can be non-planar with an arbitrary number of vertices. The importance of such grids in state-of-the-art simulation packages is increasing rapidly. We propose a very compact, face-based data structure for representing such meshes for visualization, called two-sided face sequence lists (TSFSL), as well as an algorithm for direct GPU-based ray-casting using this representation. The TSFSL data structure is able to represent the entire mesh topology in a 1D TSFSL data array of face records, which facilitates the use of efficient 1D texture accesses for visualization. In order to scale to large data sizes, we employ a mesh decomposition into bricks that can be handled independently, where each brick is then composed of its own TSFSL array. This bricking enables memory savings and performance improvements for large meshes. We illustrate the feasibility of our approach with real-world application results, by visualizing highly complex polyhedral data from commercial state-of-the-art simulation packages. © 2011 IEEE.

  6. Zero point energy of polyhedral water clusters.

    Science.gov (United States)

    Anick, David J

    2005-06-30

    Polyhedral water clusters (PWCs) are cage-like (H2O)n clusters where every O participates in exactly three H bonds. For a database of 83 PWCs, 8 zero point energy (ZPE) was calculated at the B3LYP/6-311++G** level. ZPE correlates negatively with electronic energy (E0): each increase of 1 kcal/mol in E0 corresponds to a decrease of about 0.11 kcal/mol in ZPE. For each n, a set of four connectivity parameters accounts for 98% or more of the variance in ZPE. Linear regression of ZPE against n and this set gives an RMS error of 0.13 kcal/mol. The contributions to ZPE from stretch modes only (ZPE(S)) and from torsional modes only (ZPE(T)) also correlate strongly with E0 and with each other.

  7. Preparation and Characterization of Polyhedral Oligosilsesquioxanes

    Science.gov (United States)

    Cordes, David B.; Lickiss, Paul D.

    Polyhedral OligoSilSesquioxanes are often abbreviated by the acronym POS or POSS® and are compounds of the general formula Sin O3n/2Rn (often denoted as TnRn). The commonest of these compounds are the cubic T8R8 POS species since many hydrolysis/condensation reactions of simple RSiX3 compounds (X = Cl, OMe or OEt) give the T8R8 cage as a major product, usually along with small amounts of other TnRn cages and polymeric by-products. Few T4R4 POS have been prepared as they seem to require very bulky R-groups to stabilize the strained POS system and to prevent formation of larger, more stable POS cages.

  8. Fernando Cassinello Pérez, polyhedral architect

    Directory of Open Access Journals (Sweden)

    M. Centellas Soler

    2017-03-01

    Full Text Available The work of architect Fernando Cassinello Pérez (Almería, 1928-Madrid, 1975 rests on three pillars: architectural production focused on the design and construction of housing and hotel establishments, academic activity as Professor of Construction at the Escuela de Arquitectura de Madrid, and research concern developed in the IETcc of which he became director, and exercised as an author of books and research papers, as disseminator lecturer, speaker at major conferences or as an active member of international associations linked to construction with concrete. This article will review his prolific activity as polyhedral architect and will find interesting works that designed and built by relying on extensive contemporary and international architectural culture.

  9. Clustered deep shadow maps for integrated polyhedral and volume rendering

    KAUST Repository

    Bornik, Alexander; Knecht, Wolfgang; Hadwiger, Markus; Schmalstieg, Dieter

    2012-01-01

    This paper presents a hardware-accelerated approach for shadow computation in scenes containing both complex volumetric objects and polyhedral models. Our system is the first hardware accelerated complete implementation of deep shadow maps, which

  10. [Formian 2 and a Formian Function for Processing Polyhedric Configurations

    Science.gov (United States)

    Nooshin, H.; Disney, P. L.; Champion, O. C.

    1996-01-01

    The work began in October 1994 with the following objectives: (1) to produce an improved version of the programming language Formian; and (2) to create a means for computer aided handling of polyhedric configurations including the geodesic forms of all kinds. A new version of Formian, referred to as Formian 2, is being implemented to operate in the Windows 95 environment. It is an ideal tool for configuration management in a convenient and user-friendly manner. The second objective was achieved by creating a standard Formian function that allows convenient handling of all types of polyhedric configurations. In particular, the focus of attention is on polyhedric configurations that are of importance in architectural and structural engineering fields. The natural medium for processing of polyhedric configurations is a programming language that incorporates the concepts of 'formex algebra'. Formian is such a programming language in which the processing of polyhedric configurations can be carried out using the standard elements of the language. A description of this function is included in a chapter for a book entitled 'Beyond the Cube: the Architecture of space Frames and Polyhedra'. A copy of this chapter is appended.

  11. A simple gel electrophoresis method for separating polyhedral gold nanoparticles

    Science.gov (United States)

    Kim, Suhee; Lee, Hye Jin

    2015-07-01

    In this paper, a simple approach to separate differently shaped and sized polyhedral gold nanoparticles (NPs) within colloidal solutions via gel electrophoresis is described. Gel running parameters for separating efficiently gold NPs including gel composition, added surfactant types and applied voltage were investigated. The plasmonic properties and physical structure of the separated NPs extracted from the gel matrix were then investigated using transmission electron microscopy (TEM) and UV-vis spectrophotometry respectively. Data analysis revealed that gel electrophoresis conditions of a 1.5 % agarose gel with 0.1 % sodium dodecyl sulfate (SDS) surfactant under an applied voltage of 100 V resulted in the selective isolation of ~ 50 nm polyhedral shaped gold nanoparticles. Further efforts are underway to apply the method to purify biomolecule-conjugated polyhedral Au NPs that can be readily used for NP-enhanced biosensing platforms.

  12. Constitutive equations for discrete electromagnetic problems over polyhedral grids

    International Nuclear Information System (INIS)

    Codecasa, Lorenzo; Trevisan, Francesco

    2007-01-01

    In this paper a novel approach is proposed for constructing discrete counterparts of constitutive equations over polyhedral grids which ensure both consistency and stability of the algebraic equations discretizing an electromagnetic field problem. The idea is to construct discrete constitutive equations preserving the thermodynamic relations for constitutive equations. In this way, consistency and stability of the discrete equations are ensured. At the base, a purely geometric condition between the primal and the dual grids has to be satisfied for a given primal polyhedral grid, by properly choosing the dual grid. Numerical experiments demonstrate that the proposed discrete constitutive equations lead to accurate approximations of the electromagnetic field

  13. How to collect and process large polyhedral viruses of insects

    Science.gov (United States)

    W. D. Rollinson; F. B. Lewis

    1962-01-01

    Polyhedral viruses have proved highly effective and very practical for control of certain pine sawflies; and a method of collecting and processing the small polyhedra (5 microns or less) characteristic of sawflies has been described. There is experimental evidence that the virus diseases of many Lepidopterous insects can be used similarly for direct control. The...

  14. A Novel Type of Polyhedral Viruses Infecting Hyperthermophilic Archaea.

    Science.gov (United States)

    Liu, Ying; Ishino, Sonoko; Ishino, Yoshizumi; Pehau-Arnaudet, Gérard; Krupovic, Mart; Prangishvili, David

    2017-07-01

    Encapsidation of genetic material into polyhedral particles is one of the most common structural solutions employed by viruses infecting hosts in all three domains of life. Here, we describe a new virus of hyperthermophilic archaea, Sulfolobus polyhedral virus 1 (SPV1), which condenses its circular double-stranded DNA genome in a manner not previously observed for other known viruses. The genome complexed with virion proteins is wound up sinusoidally into a spherical coil which is surrounded by an envelope and further encased by an outer polyhedral capsid apparently composed of the 20-kDa virion protein. Lipids selectively acquired from the pool of host lipids are integral constituents of the virion. None of the major virion proteins of SPV1 show similarity to structural proteins of known viruses. However, minor structural proteins, which are predicted to mediate host recognition, are shared with other hyperthermophilic archaeal viruses infecting members of the order Sulfolobales The SPV1 genome consists of 20,222 bp and contains 45 open reading frames, only one-fifth of which could be functionally annotated. IMPORTANCE Viruses infecting hyperthermophilic archaea display a remarkable morphological diversity, often presenting architectural solutions not employed by known viruses of bacteria and eukaryotes. Here we present the isolation and characterization of Sulfolobus polyhedral virus 1, which condenses its genome into a unique spherical coil. Due to the original genomic and architectural features of SPV1, the virus should be considered a representative of a new viral family, "Portogloboviridae." Copyright © 2017 American Society for Microbiology.

  15. Rheological Behavior of Entangled Polystyrene-Polyhedral Oligosilsesquioxane (POSS) Copolymer

    National Research Council Canada - National Science Library

    Wu, Jian; Mather, Patrick T; Haddad, Timothy S; Kim, Gyeong-Man

    2006-01-01

    ...: random copolymers of polystyrene (PS) and styryl-based polyhedral oligosilsesquioxane (POSS), R7(Si8O12)(C6H4CH=CH2), with R = isobutyl (iBu). A series of styrene-styryl POSS random copolymers with 0, 6, 15, 30, 50 wt...

  16. Electronic structures and thermochemical properties of the small silicon-doped boron clusters B(n)Si (n=1-7) and their anions.

    Science.gov (United States)

    Tai, Truong Ba; Kadłubański, Paweł; Roszak, Szczepan; Majumdar, Devashis; Leszczynski, Jerzy; Nguyen, Minh Tho

    2011-11-18

    We perform a systematic investigation on small silicon-doped boron clusters B(n)Si (n=1-7) in both neutral and anionic states using density functional (DFT) and coupled-cluster (CCSD(T)) theories. The global minima of these B(n)Si(0/-) clusters are characterized together with their growth mechanisms. The planar structures are dominant for small B(n)Si clusters with n≤5. The B(6)Si molecule represents a geometrical transition with a quasi-planar geometry, and the first 3D global minimum is found for the B(7)Si cluster. The small neutral B(n)Si clusters can be formed by substituting the single boron atom of B(n+1) by silicon. The Si atom prefers the external position of the skeleton and tends to form bonds with its two neighboring B atoms. The larger B(7)Si cluster is constructed by doping Si-atoms on the symmetry axis of the B(n) host, which leads to the bonding of the silicon to the ring boron atoms through a number of hyper-coordination. Calculations of the thermochemical properties of B(n)Si(0/-) clusters, such as binding energies (BE), heats of formation at 0 K (ΔH(f)(0)) and 298 K (ΔH(f)([298])), adiabatic (ADE) and vertical (VDE) detachment energies, and dissociation energies (D(e)), are performed using the high accuracy G4 and complete basis-set extrapolation (CCSD(T)/CBS) approaches. The differences of heats of formation (at 0 K) between the G4 and CBS approaches for the B(n)Si clusters vary in the range of 0.0-4.6 kcal mol(-1). The largest difference between two approaches for ADE values is 0.15 eV. Our theoretical predictions also indicate that the species B(2)Si, B(4)Si, B(3)Si(-) and B(7)Si(-) are systems with enhanced stability, exhibiting each a double (σ and π) aromaticity. B(5)Si(-) and B(6)Si are doubly antiaromatic (σ and π) with lower stability. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Form-finding with polyhedral meshes made simple

    KAUST Repository

    Tang, Chengcheng; Sun, Xiang; Gomes, Maria Alexandra; Wallner, Johannes; Pottmann, Helmut

    2014-01-01

    We solve the form-finding problem for polyhedral meshes in a way which combines form, function and fabrication; taking care of user-specified constraints like boundary interpolation, planarity of faces, statics, panel size and shape, enclosed volume, and last, but not least, cost. Our main application is the interactive modeling of meshes for architectural and industrial design. Our approach can be described as guided exploration of the constraint space whose algebraic structure is simplified by introducing auxiliary variables and ensuring that constraints are at most quadratic. Computationally, we perform a projection onto the constraint space which is biased towards low values of an energy which expresses desirable "soft" properties like fairness. We have created a tool which elegantly handles difficult tasks, such as taking boundary-alignment of polyhedral meshes into account, planarization, fairing under planarity side conditions, handling hybrid meshes, and extending the treatment of static equilibrium to shapes which possess overhanging parts.

  18. Form-finding with polyhedral meshes made simple

    KAUST Repository

    Tang, Chengcheng

    2014-07-27

    We solve the form-finding problem for polyhedral meshes in a way which combines form, function and fabrication; taking care of user-specified constraints like boundary interpolation, planarity of faces, statics, panel size and shape, enclosed volume, and last, but not least, cost. Our main application is the interactive modeling of meshes for architectural and industrial design. Our approach can be described as guided exploration of the constraint space whose algebraic structure is simplified by introducing auxiliary variables and ensuring that constraints are at most quadratic. Computationally, we perform a projection onto the constraint space which is biased towards low values of an energy which expresses desirable "soft" properties like fairness. We have created a tool which elegantly handles difficult tasks, such as taking boundary-alignment of polyhedral meshes into account, planarization, fairing under planarity side conditions, handling hybrid meshes, and extending the treatment of static equilibrium to shapes which possess overhanging parts.

  19. Clustered deep shadow maps for integrated polyhedral and volume rendering

    KAUST Repository

    Bornik, Alexander

    2012-01-01

    This paper presents a hardware-accelerated approach for shadow computation in scenes containing both complex volumetric objects and polyhedral models. Our system is the first hardware accelerated complete implementation of deep shadow maps, which unifies the computation of volumetric and geometric shadows. Up to now such unified computation was limited to software-only rendering . Previous hardware accelerated techniques can handle only geometric or only volumetric scenes - both resulting in the loss of important properties of the original concept. Our approach supports interactive rendering of polyhedrally bounded volumetric objects on the GPU based on ray casting. The ray casting can be conveniently used for both the shadow map computation and the rendering. We show how anti-aliased high-quality shadows are feasible in scenes composed of multiple overlapping translucent objects, and how sparse scenes can be handled efficiently using clustered deep shadow maps. © 2012 Springer-Verlag.

  20. Image of the World on polyhedral maps and globes

    Directory of Open Access Journals (Sweden)

    Pędzich Paweł

    2016-12-01

    Full Text Available Application of polyhedrons as image surface in cartographic projections has a tradition of more than 200 years. The first maps relying on polyhedrons appeared in the 19th century. One of the first maps which based on an original polyhedral projection using a regular octahedron was constructed by the Californian architect Bernard Cahill in 1909. Other well known polyhedral projections and maps included Buckminster Fuller’s projection and map into icosahedron from 1954 and S. Waterman’s projection into truncated octahedron from 1996, which resulted in the “butterfly” map. Polyhedrons as image surface have the advantage of allowing a continuous image of continents of the Earth with low projection distortion. Such maps can be used for many purposes, such as presentation of tectonic plates or geographic discoveries.

  1. Topology, isomorphic smoothness and polyhedrality in Banach spaces

    OpenAIRE

    Smith, Richard J.

    2018-01-01

    In recent decades, topology has come to play an increasing role in some geometric aspects of Banach space theory. The class of so-called $w^*$-locally relatively compact sets was introduced recently by Fonf, Pallares, Troyanski and the author, and were found to be a useful topological tool in the theory of isomorphic smoothness and polyhedrality in Banach spaces. We develop the topological theory of these sets and present some Banach space applications.

  2. Sub-polyhedral scheduling using (unit-)two-variable-per-inequality polyhedra

    OpenAIRE

    Upadrasta , Ramakrishna; Cohen , Albert

    2013-01-01

    International audience; Polyhedral compilation has been successful in the design and implementation of complex loop nest optimizers and parallelizing compilers. The algorithmic complexity and scalability limitations remain one important weakness. We address it using sub-polyhedral under-aproximations of the systems of constraints resulting from affine scheduling problems. We propose a sub-polyhedral scheduling technique using (Unit-)Two-Variable-Per-Inequality or (U)TVPI Polyhedra. This techn...

  3. Polyhedral Boranes: A Versatile Building Block for Nanoporous Materials

    Science.gov (United States)

    Clingerman, Daniel Jon

    The studies described in this dissertation examine several new concepts related to polyhedral boranes and their applications towards the synthesis of novel nanoporous materials. The unique thermal and chemical robustness, rigidity, quasi-spherical geometry, and high boron content of polyhedral boranes are explored to generate materials not possible with typical organic synthons. Aside from the fundamental synthetic work, this work was also aimed at solving larger global issues such as energy storage and new routes to therapeutics. Chapter 2 highlights the discovery of the first highly porous carborane-based metal-organic framework, where the spherical nature of the carborane increases volumetric surface area without reducing pore volume. Chapter 3 examines the first tritopic carborane-based ligand and the stabilizing effect the rigid, sterically bulky carboranyl groups have on highly porous topologies not stable with typical organic ligands. Chapters 4 and 5 describe the use of polyhedral borane-based ligands as a means to influence and generate unexpected topologies. Lastly, chapter 6 explores using a simple carborane-based ligand that harnesses the power of coordination-driven assembly to rapidly generate a high boron-containing supramolecular cuboctahedron.

  4. Polyhedral meshing in numerical analysis of conjugate heat transfer

    Science.gov (United States)

    Sosnowski, Marcin; Krzywanski, Jaroslaw; Grabowska, Karolina; Gnatowska, Renata

    2018-06-01

    Computational methods have been widely applied in conjugate heat transfer analysis. The very first and crucial step in such research is the meshing process which consists in dividing the analysed geometry into numerous small control volumes (cells). In Computational Fluid Dynamics (CFD) applications it is desirable to use the hexahedral cells as the resulting mesh is characterized by low numerical diffusion. Unfortunately generating such mesh can be a very time-consuming task and in case of complicated geometry - it may not be possible to generate cells of good quality. Therefore tetrahedral cells have been implemented into commercial pre-processors. Their advantage is the ease of its generation even in case of very complex geometry. On the other hand tetrahedrons cannot be stretched excessively without decreasing the mesh quality factor, so significantly larger number of cells has to be used in comparison to hexahedral mesh in order to achieve a reasonable accuracy. Moreover the numerical diffusion of tetrahedral elements is significantly higher. Therefore the polyhedral cells are proposed within the paper in order to combine the advantages of hexahedrons (low numerical diffusion resulting in accurate solution) and tetrahedrons (rapid semi-automatic generation) as well as to overcome the disadvantages of both the above mentioned mesh types. The major benefit of polyhedral mesh is that each individual cell has many neighbours, so gradients can be well approximated. Polyhedrons are also less sensitive to stretching than tetrahedrons which results in better mesh quality leading to improved numerical stability of the model. In addition, numerical diffusion is reduced due to mass exchange over numerous faces. This leads to a more accurate solution achieved with a lower cell count. Therefore detailed comparison of numerical modelling results concerning conjugate heat transfer using tetrahedral and polyhedral meshes is presented in the paper.

  5. Form-finding with polyhedral meshes made simple

    KAUST Repository

    Tang, Chengcheng; Sun, Xiang; Gomes, Alexandra; Wallner, Johannes; Pottmann, Helmut

    2015-01-01

    We solve the form-finding problem for polyhedral meshes in a way which combines form, function and fabrication; taking care of user-specified constraints like boundary interpolation, planarity of faces, statics, panel size and shape, enclosed volume, and cost. Our main application is the interactive modeling of meshes for architectural and industrial design. Our approach can be described as guided exploration of the constraint space whose algebraic structure is simplified by introducing auxiliary variables and ensuring that constraints are at most quadratic.

  6. Polyhedral Oligomeric Silsesquioxane (POSS)-Containing Polymer Nanocomposites

    Science.gov (United States)

    Ayandele, Ebunoluwa; Sarkar, Biswajit; Alexandridis, Paschalis

    2012-01-01

    Hybrid materials with superior structural and functional properties can be obtained by incorporating nanofillers into polymer matrices. Polyhedral oligomeric silsesquioxane (POSS) nanoparticles have attracted much attention recently due to their nanometer size, the ease of which these particles can be incorporated into polymeric materials and the unique capability to reinforce polymers. We review here the state of POSS-containing polymer nanocomposites. We discuss the influence of the incorporation of POSS into polymer matrices via chemical cross-linking or physical blending on the structure of nanocomposites, as affected by surface functional groups, and the POSS concentration. PMID:28348318

  7. Form-finding with polyhedral meshes made simple

    KAUST Repository

    Tang, Chengcheng

    2015-08-09

    We solve the form-finding problem for polyhedral meshes in a way which combines form, function and fabrication; taking care of user-specified constraints like boundary interpolation, planarity of faces, statics, panel size and shape, enclosed volume, and cost. Our main application is the interactive modeling of meshes for architectural and industrial design. Our approach can be described as guided exploration of the constraint space whose algebraic structure is simplified by introducing auxiliary variables and ensuring that constraints are at most quadratic.

  8. Polyhedral and semidefinite programming methods in combinatorial optimization

    CERN Document Server

    Tunçel, Levent

    2010-01-01

    Since the early 1960s, polyhedral methods have played a central role in both the theory and practice of combinatorial optimization. Since the early 1990s, a new technique, semidefinite programming, has been increasingly applied to some combinatorial optimization problems. The semidefinite programming problem is the problem of optimizing a linear function of matrix variables, subject to finitely many linear inequalities and the positive semidefiniteness condition on some of the matrix variables. On certain problems, such as maximum cut, maximum satisfiability, maximum stable set and geometric r

  9. Bending-active reciprocal structures based on equilateral polyhedral geometries

    DEFF Research Database (Denmark)

    Popovic Larsen, Olga; BRANCART, Stijn; DE TEMMERMAN, Niels

    2017-01-01

    As mutually supported beam structures, reciprocal frames limit the number of components that are joined at each connection to two. However, this system of intermediate connections introduces undesirable bending moments in the beam elements. By utilising elastic deformation to create curved...... of parts of reciprocal bending-active components based on a selection of polyhedral dome types. To simplify the assembly of the structures and avoid the manual bending of the components on site, we introduce the concept of a double-layered, pre-bent component. Finally, this paper presents the development...

  10. Use of various types of carbon-containing raw materials to produce thermal energy

    Directory of Open Access Journals (Sweden)

    В. Б. Кусков

    2016-08-01

    Full Text Available Many types of carbon-containing organic compounds and all possible carbon-containing products or wastes in low demand can be used to produce thermal energy. A technology has been developed for producing highly flammable briquettes on the basis of bituminous coal. These briquettes have a special incendiary layer. It is easily ignites from low energy heat sources (e.g. matches, and then flame spreads to the rest of briquette. Use of coal slacks and paper wastes as carbon-containing components playing the role of binders provides an opportunity to get a fuel briquette easy in terms of production and plain in composition while at the same time dispose of coal and paper wastes. Such briquettes may also have a special incendiary layer. Technology for fuel briquettes production from wood and slate wastes employed no binding agents, as wood products acted as binders. Thus technologies have been developed to produce fuel briquettes from various carbon-containing materials in low demand. The briquettes are intended for household boilers, fireplaces, different ovens in order to cook food, heat residential and utility premises, cabins, etc.

  11. SALOME PLATFORM and TetGen for Polyhedral Mesh Generation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sang Yong; Park, Chan Eok; Kim, Shin Whan [KEPCO E and C Company, Inc., Daejeon (Korea, Republic of)

    2014-05-15

    SPACE and CUPID use the unstructured mesh and they also require reliable mesh generation system. The combination of CAD system and mesh generation system is necessary to cope with a large number of cells and the complex fluid system with structural materials inside. In the past, a CAD system Pro/Engineer and mesh generator Pointwise were evaluated for this application. But, the cost of those commercial CAD and mesh generator is sometimes a great burden. Therefore, efforts have been made to set up a mesh generation system with open source programs. The evaluation of the TetGen has been made in focusing the application for the polyhedral mesh generation. In this paper, SALOME will be evaluated for the efforts in conjunction with TetGen. In section 2, review will be made on the CAD and mesh generation capability of SALOME. SALOME and TetGen codes are being integrated to construct robust polyhedral mesh generator. Edge removal on the flat surface and vertex reattachment to the solid are two challenging tasks. It is worthwhile to point out that the Python script capability of the SALOME should be fully utilized for the future investigation.

  12. Approximation of scalar and vector transport problems on polyhedral meshes

    International Nuclear Information System (INIS)

    Cantin, Pierre

    2016-01-01

    This thesis analyzes, at the continuous and at the discrete level on polyhedral meshes, the scalar and the vector transport problems in three-dimensional domains. These problems are composed of a diffusive term, an advective term, and a reactive term. In the context of Friedrichs systems, the continuous problems are analyzed in Lebesgue graph spaces. The classical positivity assumption on the Friedrichs tensor is generalized so as to consider the case of practical interest where this tensor takes null or slightly negative values. A new scheme converging at the order 3/2 is devised for the scalar advection-reaction problem using scalar degrees of freedom attached to mesh vertices. Two new schemes considering as well scalar degrees of freedom attached to mesh vertices are devised for the scalar transport problem and are robust with respect to the dominant regime. The first scheme converges at the order 1/2 when advection effects are dominant and at the order 1 when diffusion effects are dominant. The second scheme improves the accuracy by converging at the order 3/2 when advection effects are dominant. Finally, a new scheme converging at the order 1/2 is devised for the vector advection-reaction problem considering only one scalar degree of freedom per mesh edge. The accuracy and the efficiency of all these schemes are assessed on various test cases using three-dimensional polyhedral meshes. (author)

  13. Palliative effects of H2 on SOFCs operating with carbon containing fuels

    Science.gov (United States)

    Reeping, Kyle W.; Bohn, Jessie M.; Walker, Robert A.

    2017-12-01

    Chlorine can accelerate degradation of solid oxide fuel cell (SOFC) Ni-based anodes operating on carbon containing fuels through several different mechanisms. However, supplementing the fuel with a small percentage of excess molecular hydrogen effectively masks the degradation to the catalytic activity of the Ni and carbon fuel cracking reaction reactions. Experiments described in this work explore the chemistry behind the "palliative" effect of hydrogen on SOFCs operating with chlorine-contaminated, carbon-containing fuels using a suite of independent, complementary techniques. Operando Raman spectroscopy is used to monitor carbon accumulation and, by inference, Ni catalytic activity while electrochemical techniques including electrochemical impedance spectroscopy and voltammetry are used to monitor overall cell performance. Briefly, hydrogen not only completely hides degradation observed with chlorine-contaminated carbon-containing fuels, but also actively removes adsorbed chlorine from the surface of the Ni, allowing for the methane cracking reaction to continue, albeit at a slower rate. When hydrogen is removed from the fuel stream the cell fails immediately due to chlorine occupation of methane/biogas reaction sites.

  14. Symmetry and Algorithmic Complexity of Polyominoes and Polyhedral Graphs

    KAUST Repository

    Zenil, Hector

    2018-02-24

    We introduce a definition of algorithmic symmetry able to capture essential aspects of geometric symmetry. We review, study and apply a method for approximating the algorithmic complexity (also known as Kolmogorov-Chaitin complexity) of graphs and networks based on the concept of Algorithmic Probability (AP). AP is a concept (and method) capable of recursively enumeration all properties of computable (causal) nature beyond statistical regularities. We explore the connections of algorithmic complexity---both theoretical and numerical---with geometric properties mainly symmetry and topology from an (algorithmic) information-theoretic perspective. We show that approximations to algorithmic complexity by lossless compression and an Algorithmic Probability-based method can characterize properties of polyominoes, polytopes, regular and quasi-regular polyhedra as well as polyhedral networks, thereby demonstrating its profiling capabilities.

  15. Symmetry and Algorithmic Complexity of Polyominoes and Polyhedral Graphs

    KAUST Repository

    Zenil, Hector; Kiani, Narsis A.; Tegner, Jesper

    2018-01-01

    We introduce a definition of algorithmic symmetry able to capture essential aspects of geometric symmetry. We review, study and apply a method for approximating the algorithmic complexity (also known as Kolmogorov-Chaitin complexity) of graphs and networks based on the concept of Algorithmic Probability (AP). AP is a concept (and method) capable of recursively enumeration all properties of computable (causal) nature beyond statistical regularities. We explore the connections of algorithmic complexity---both theoretical and numerical---with geometric properties mainly symmetry and topology from an (algorithmic) information-theoretic perspective. We show that approximations to algorithmic complexity by lossless compression and an Algorithmic Probability-based method can characterize properties of polyominoes, polytopes, regular and quasi-regular polyhedra as well as polyhedral networks, thereby demonstrating its profiling capabilities.

  16. Methods of pretreating comminuted cellulosic material with carbonate-containing solutions

    Energy Technology Data Exchange (ETDEWEB)

    Francis, Raymond

    2012-11-06

    Methods of pretreating comminuted cellulosic material with an acidic solution and then a carbonate-containing solution to produce a pretreated cellulosic material are provided. The pretreated material may then be further treated in a pulping process, for example, a soda-anthraquinone pulping process, to produce a cellulose pulp. The pretreatment solutions may be extracted from the pretreated cellulose material and selectively re-used, for example, with acid or alkali addition, for the pretreatment solutions. The resulting cellulose pulp is characterized by having reduced lignin content and increased yield compared to prior art treatment processes.

  17. Carbonate-containing hydroxyapatite derived from calcium tripolyphosphate gel with urea.

    Science.gov (United States)

    Mizutani, Y; Hattori, M; Okuyama, M; Kasuga, T; Nogami, M

    2005-08-01

    Carbonate containing hydroxyapatite (CO3HAp) is one of the candidate materials as a bioresorbable bone substitute. In the present work, CO3HAp was efficiently prepared by a hydrothermal treatment of calcium tripolyphosphate gel with urea at 140 degrees C for 24 h. Chemical potential plots of the CO3HAp for estimation of its dissolution behavior suggested that the CO3HAp is more soluble than hydroxyapatite (HAp) and is as soluble as octacalcium phosphate (OCP) and/or beta -tricalcium phosphate (TCP). This material is expected to be applied to bioresorbable materials such as bone fillers.

  18. Morphology and Phase Transitions in Styrene-Butadiene-Styrene Triblock Copolymer Grafted with Isobutyl Substituted Polyhedral Oligomeric Silsesquioxanes (Postprint)

    National Research Council Canada - National Science Library

    Drazowski, Daniel B; Lee, Andre; Haddad, Timothy S

    2007-01-01

    Two symmetric triblock polystyrene-butadiene-polystyrene (SBS) copolymers with different styrene content were grafted with varying amounts of isobutyl-substituted polyhedral oligomeric silsesquioxane (POSS) molecules...

  19. Morphology and Phase Transitions in Styrene-Butadiene-Styrene Triblock Copolymer Grafted with Isobutyl Substituted Polyhedral Oligomeric Silsesquioxanes (preprint)

    National Research Council Canada - National Science Library

    Drazkowski, Daniel B; Lee, Andre; Haddad, Timothy S

    2006-01-01

    Two symmetric triblock polystyrene-butadiene-polystyrene (SBS) copolymers with different styrene content were grafted with varying amounts of isobutyl-substituted polyhedral oligomeric silsesquioxane (POSS) molecules...

  20. Preparation of polyhedral oligomeric silsesquioxane based imprinted monolith.

    Science.gov (United States)

    Li, Fang; Chen, Xiu-Xiu; Huang, Yan-Ping; Liu, Zhao-Sheng

    2015-12-18

    Polyhedral oligomeric silsesquioxane (POSS) was successfully applied, for the first time, to prepare imprinted monolithic column with high porosity and good permeability. The imprinted monolithic column was synthesized with a mixture of PSS-(1-Propylmethacrylate)-heptaisobutyl substituted (MA 0702), naproxon (template), 4-vinylpyridine, and ethylene glycol dimethacrylate, in ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4). The influence of synthesis parameters on the retention factor and imprinting effect, including the amount of MA 0702, the ratio of template to monomer, and the ratio of monomer to crosslinker, was investigated. The greatest imprinting factor on the imprinted monolithic column prepared with MA 0702 was 22, about 10 times higher than that prepared in absence of POSS. The comparisons between MIP monoliths synthesized with POSS and without POSS were made in terms of permeability, column efficiency, surface morphology and pore size distribution. In addition, thermodynamic and Van Deemter analysis were used to evaluate the POSS-based MIP monolith. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. A Minimum Path Algorithm Among 3D-Polyhedral Objects

    Science.gov (United States)

    Yeltekin, Aysin

    1989-03-01

    In this work we introduce a minimum path theorem for 3D case. We also develop an algorithm based on the theorem we prove. The algorithm will be implemented on the software package we develop using C language. The theorem we introduce states that; "Given the initial point I, final point F and S be the set of finite number of static obstacles then an optimal path P from I to F, such that PA S = 0 is composed of straight line segments which are perpendicular to the edge segments of the objects." We prove the theorem as well as we develop the following algorithm depending on the theorem to find the minimum path among 3D-polyhedral objects. The algorithm generates the point Qi on edge ei such that at Qi one can find the line which is perpendicular to the edge and the IF line. The algorithm iteratively provides a new set of initial points from Qi and exploits all possible paths. Then the algorithm chooses the minimum path among the possible ones. The flowchart of the program as well as the examination of its numerical properties are included.

  2. Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter

    2003-07-01

    The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and carbon containing alloys

  3. Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter

    2003-07-01

    The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and

  4. PrB{sub 7}{sup -}. A praseodymium-doped boron cluster with a Pr{sup II} center coordinated by a doubly aromatic planar η{sup 7}-B{sub 7}{sup 3-} ligand

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Teng-Teng; Jian, Tian; Wang, Lai-Sheng [Department of Chemistry, Brown University, Providence, RI (United States); Li, Wan-Lu; Chen, Xin; Li, Jun [Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing (China)

    2017-06-06

    The structure and bonding of a Pr-doped boron cluster (PrB{sub 7}{sup -}) are investigated using photoelectron spectroscopy and quantum chemistry. The adiabatic electron detachment energy of PrB{sub 7}{sup -} is found to be low [1.47(8) eV]. A large energy gap is observed between the first and second detachment features, indicating a highly stable neutral PrB{sub 7}. Global minimum searches and comparison between experiment and theory show that PrB{sub 7}{sup -} has a half-sandwich structure with C{sub 6v} symmetry. Chemical bonding analyses show that PrB{sub 7}{sup -} can be viewed as a Pr{sup II}[η{sup 7}-B{sub 7}{sup 3-}] complex with three unpaired electrons, corresponding to a Pr (4f{sup 2}6s{sup 1}) open-shell configuration. Upon detachment of the 6s electron, the neutral PrB{sub 7} cluster is a highly stable Pr{sup III}[η{sup 7}-B{sub 7}{sup 3-}] complex with Pr in its favorite +3 oxidation state. The B{sub 7}{sup 3-} ligand is found to be highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide M{sup III}[η{sup 7}-B{sub 7}{sup 3-}] complexes. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Naming polyhedra by general face-spirals - theory and applications to fullerenes and other polyhedral molecules

    DEFF Research Database (Denmark)

    Wirz, Lukas; Schwerdtfeger, Peter; Avery, James Emil

    2018-01-01

    We present a general face-spiral algorithm for cubic polyhedral graphs (including fullerenes and fulleroids), and extend it to the full class of all polyhedral graphs by way of the leapfrog transform. This yields compact canonical representations of polyhedra with a simple and intuitive geometrical...... polyhedral molecules, and an especially compact form for the special class of fullerenes. A unique numbering of vertices is obtained as a byproduct of the spiral algorithm. This is required to denote modifications of the parent cage in IUPAC naming schemes. Similarly, the symmetry group of the molecule can...... be found together with the canonical general spiral at negligible cost. The algorithm is fully compatible with the classical spiral algorithm developed by Manolopoulos for fullerenes, i. e., classical spirals are accepted as input, and spiralable graphs lead to identical output. We prove that the algorithm...

  6. Screen-printed carbon-containing electrode modified with formazan for determining copper, lead, cadmium, and zinc

    International Nuclear Information System (INIS)

    Stozhko, N.Yu.; Aleshina, L.V.; Brajnina, Kh.Z.; Lipunova, G.N.; Maslakova, T.I.

    2004-01-01

    The electrochemical behavior of some hetarylated formazans introduced into the bulk of carbon-containing inks of screen-printed electrodes was studied. The compositions of complexes formed at the electrode surface were found, and their stability constants were estimated. It was shown that the modification of carbon-containing screen-printed electrode with 1-(o-chlorophenyl-3-phenyl-5-(6-methyl-4-oxo-pyrimidinyl-2)formazan improves its sensitivity, lowers detection limits for Pb(II), Cu(II), Cd(II), and Zn(II), and ensures high precision of the results of voltammetric analysis [ru

  7. Synthesis and characterization of polyhedral and quasi-sphere non-polyhedral Pt nanoparticles: effects of their various surface morphologies and sizes on electrocatalytic activity for fuel cell applications

    International Nuclear Information System (INIS)

    Long, Nguyen Viet; Ohtaki, Michitaka; Hien, Tong Duy; Jalem, Randy; Nogami, Masayuki

    2011-01-01

    In this article, polyhedral and non-polyhedral Pt nanoparticles were prepared by modified polyol method using AgNO 3 as a good structure-modifying agent. Their TEM and HRTEM images showed the particle size in the range of 8–16 nm for both the above cases. The structures and properties of the surfaces of Pt nanoparticles were investigated through cyclic voltammetry in dilute perchloric acid (HClO 4 ) electrolyte solution. A comparison of the electrocatalytic property in methanol electrooxidation was made. Here, the effects of polyhedral and non-polyhedral morphologies on their catalytic properties were studied. The results revealed that the special catalytic activity of quasi-sphere non-polyhedral Pt nanoparticles is higher than that of polyhedral Pt nanoparticles. In addition, Pt nanoparticles of un-sharp and quasi-sphere morphologies exhibit the tolerance to poisoning species better than that of Pt nanoparticles of sharp and polyhedral morphologies due to the various morphologies of the catalyst surfaces in the chronoamperometric plots. Therefore, these experimental evidences showed the morphology-dependent catalytic property according to the various morphologies and complexity of their catalyst surfaces.

  8. Synthesis and Characterization of Polyfunctional Polyhedral Silsesquioxane Cages

    Science.gov (United States)

    Sulaiman, Santy

    Recent studies on octameric polyhedral silsesquioxanes, (RSiO1.5 )8, indicate that the silsesquioxane cage is not just a passive component but appears to be involved in electron delocalization with conjugated organic tethers in the excited state. This dissertation presents the synthesis and characterization of (RSiO1.5)8 molecules with unique photophysical properties that provide support for the existence of conjugation that involves the (RSiO1.5)8 cage. The dissertation first discusses the elaboration of octavinylsilsesquioxane via cross-metathesis to form styrenyl-functionalized octasilsesquioxane molecules. Subsequent Heck coupling reactions of p-bromostyrenyl derivative provides vinylstilbene-functionalized octasilsesquioxane. The amino derivative, NH2VinylStilbeneOS, show highly red-shifted emission spectrum (100 nm from the simple organic analog p-vinylstilbene) and high two-photon absorption (TPA) cross-section value (100 GM/moiety), indicating charge-transfer processes involving the silsesquioxane cage as the electron acceptor. The unique photophysical properties of polyfunctional luminescent cubic silsesquioxanes synthesized from ortho-8-, (2,5)-16-, and 24-brominated octaphenylsilsesquioxane (OPS) via Heck coupling show how the steric interactions of the organic tethers at the silsesquioxane cage corner affect conjugation with the silsesquioxane cage. Furthermore, the high TPA cross-section (10 GM/moiety) and photoluminescence quantum yield (20%) of OPS functionalized with 24 acetoxystyrenyl groups suggest that the existence excited states in these molecules with similar energies and decay rates: normal radiative pi- pi* transition and charge transfer involving the silsesquioxane cage. The fluoride ion-catalyzed rearrangement reactions of cage and polymeric silsesquioxanes provide a convenient route to a mixture of deca- and dodecameric silsesquioxane molecules in high yields, giving us the opportunity to investigate the effect of silsesquioxane cage

  9. Spectroscopic studies of carbon containing molecules and their break-up in PISCES-A

    International Nuclear Information System (INIS)

    Pospieszczyk, A.; Ra, Y.; Hirooka, Y.; Conn, R.W.; Goebel, D.M.; LaBombard, B.; Nygren, R.E.

    1989-12-01

    We have used the PISCES-A facility in order to study the behavior of carbon containing molecules in a representative plasma with parameters close to that of a tokamak boundary layer, CH 4 , C 2 H 2 , C 2 H 4 , CO, and CO 2 molecules were introduced through a slit aperture into a helium plasma and the radiation from these due to electronic excitation was spectrographically recorded. The imaging of the plasma onto the entrance slit of a 1.33m McPherson optical spectrometer was chosen in such a way that simultaneous information about spectral and spatial distribution of the emission could be obtained by an attached photographic camera and an optical multichannel analyser (OMA). The recorded spectra show that many features in previously obtained spectra from limiters originate -- beside from hydrocarbons -- from carbonoxides, which seem to play a major role in the transport of carbon and oxygen. It was also possible to calibrate the radiation intensity of several molecular bands versus the known molecular influx so that an absolute determination of these fluxes from the wall of a fusion device could be done. Measurements of the attenuation of the individual species were carried out, which describe the penetration of carbon, oxygen, and hydrogen atoms into a discharge by taking into account individual steps in the molecular breakup process. 36 refs., 35 figs

  10. Modeling IrisCode and its variants as convex polyhedral cones and its security implications.

    Science.gov (United States)

    Kong, Adams Wai-Kin

    2013-03-01

    IrisCode, developed by Daugman, in 1993, is the most influential iris recognition algorithm. A thorough understanding of IrisCode is essential, because over 100 million persons have been enrolled by this algorithm and many biometric personal identification and template protection methods have been developed based on IrisCode. This paper indicates that a template produced by IrisCode or its variants is a convex polyhedral cone in a hyperspace. Its central ray, being a rough representation of the original biometric signal, can be computed by a simple algorithm, which can often be implemented in one Matlab command line. The central ray is an expected ray and also an optimal ray of an objective function on a group of distributions. This algorithm is derived from geometric properties of a convex polyhedral cone but does not rely on any prior knowledge (e.g., iris images). The experimental results show that biometric templates, including iris and palmprint templates, produced by different recognition methods can be matched through the central rays in their convex polyhedral cones and that templates protected by a method extended from IrisCode can be broken into. These experimental results indicate that, without a thorough security analysis, convex polyhedral cone templates cannot be assumed secure. Additionally, the simplicity of the algorithm implies that even junior hackers without knowledge of advanced image processing and biometric databases can still break into protected templates and reveal relationships among templates produced by different recognition methods.

  11. Polybenzimidazole and sulfonated polyhedral oligosilsesquioxane composite membranes for high temperature polymer electrolyte membrane fuel cells

    DEFF Research Database (Denmark)

    Aili, David; Allward, Todd; Alfaro, Silvia Martinez

    2014-01-01

    Composite membranes based on poly(2,2′(m-phenylene)-5,5́bibenzimidazole) (PBI) and sulfonated polyhedral oligosilsesquioxane (S-POSS) with S-POSS contents of 5 and 10wt.% were prepared by solution casting as base materials for high temperature polymer electrolyte membrane fuel cells. With membranes...

  12. Rheological Behavior of Entangled Polystyrene-Polyhedral Oligosilsesquioxane (POSS) Copolymer (Postprint)

    National Research Council Canada - National Science Library

    Wu, Jian; Mather, Patrick T; Haddad, Timothy S; Kim, Gyeong-Man

    2006-01-01

    ...: random copolymers of polystyrene (PS) and styryl-based polyhedral oligosilsesquioxane (POSS), R7(Si8O12)(C6H4CH=CH2), with R = isobutyl (iBu). A series of styrene-styryl POSS random copolymers with 0, 6, 15, 30, 50 wt...

  13. Robust Hinf control of uncertain switched systems defined on polyhedral sets with Filippov solutions

    DEFF Research Database (Denmark)

    Ahmadi, Mohamadreza; Mojallali, Hamed; Wisniewski, Rafal

    2012-01-01

    This paper considers the control problem of a class of uncertain switched systems defined on polyhedral sets known as piecewise linear systems where, instead of the conventional Carathe ́odory solutions, Filippov solutions are studied. In other words, in contrast to the previous studies, solutions...

  14. Chemical Hydrogen Storage Using Polyhedral Borane Anions and Aluminum-Ammonia-Borane Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Hawthorne, M. Frederick; Jalisatgi, Satish S.; Safronov, Alexander V.; Lee, Han Beak; Wu, Jianguo

    2010-10-01

    Phase 1. Hydrolysis of borohydride compounds offer the potential for significant hydrogen storage capacity, but most work to date has focused on one particular anion, BH4-, which requires high pH for stability. Other borohydride compounds, in particular polyhedral borane anions offer comparable hydrogen storage capacity without requiring high pH media and their long term thermal and hydrolytic stability coupled with non-toxic nature make them a very attractive alternative to NaBH4. The University of Missouri project provided the overall program focal point for the investigation of catalytic hydrolysis of polyhedral borane anions for hydrogen release. Due to their inherent stability, a transition metal catalyst was necessary for the hydrolysis of polyhedral borane anions. Transition metal ions such as cobalt, nickel, palladium and rhodium were investigated for their catalytic activity in the hydrolysis of nido-KB11H14, closo-K2B10H10, and closo-K2B12H12. The rate of hydrolysis follows first-order kinetics with respect to the concentration of the polyhedral borane anion and surface area of the rhodium catalyst. The rate of hydrolysis depends upon a) choice of polyhedral borane anion, c) concentration of polyhedral borane anion, d) surface area of the rhodium catalyst and e) temperature of the reaction. In all cases the yield of hydrogen was 100% which corresponds to ~7 wt% of hydrogen (based on material wt%). Phase 2. The phase 2 of program at the University of Missouri was focused upon developing aluminum ammonia-boranes (Al-AB) as chemical hydrogen storage materials, specifically their synthesis and studies of their dehydrogenation. The ammonia borane molecule (AB) is a demonstrated source of chemically stored hydrogen (19.6 wt%) which meets DOE performance parameters except for its regeneration from spent AB and elemental hydrogen. The presence of an aluminum center bonded to multiple AB residues might combine the efficiency of AB dehydrogenation with an aluminum

  15. Large-scale, rapid synthesis and application in surface-enhanced Raman spectroscopy of sub-micrometer polyhedral gold nanocrystals

    International Nuclear Information System (INIS)

    Guo Shaojun; Wang Yuling; Wang Erkang

    2007-01-01

    Macromolecule-protected sub-micrometer polyhedral gold nanocrystals have been facilely prepared by heating an aqueous solution containing poly (N-vinyl-2-pyrrolidone) (PVP) and HAuCl 4 without adding other reducing agents. Scanning electron microscopy (SEM), energy-dispersive x-ray spectroscopy (EDX), ultraviolet-visible-near-infrared spectroscopy (UV-vis-NIR), and x-ray diffraction (XRD) were employed to characterize the obtained polyhedral gold nanocrystals. It is found that the 10:1 molar ratio of PVP to gold is a key factor for obtaining quasi-monodisperse polyhedral gold nanocrystals. Furthermore, the application of polyhedral gold nanocrystals in surface-enhanced Raman scattering (SERS) was investigated by using 4-aminothiophenol (4-ATP) as a probe molecule. The results indicated that the sub-micrometer polyhedral gold nanocrystals modified on the ITO substrate exhibited higher SERS activity compared to the traditional gold nanoparticle modified film. The enhancement factor (EF) on polyhedral gold nanocrystals was about six times larger than that obtained on aggregated gold nanoparticles (∼25 nm)

  16. On cobalt effect on structural and phase transformations during tempering carbon-containing steels of Fe-Ni-Mo system

    International Nuclear Information System (INIS)

    Rakhshtadt, A.G.; Khovova, O.M.; Kan, A.V.; Perkas, M.D.; Kudryavtsev, A.N.; Rodionov, Yu.L.

    1990-01-01

    Methods of resistometry, colorimetry, X-ray diffraction chemical and electrochemical phase analyses, Moessbauer spectroscopy and field-ion mass spectrometry are used to study the nature of precipitation hardening of carbon containing Fe-Ni-Mo martensitic steels. Cobalt contribution to formation of phase composition and structural state of steels during tempering is analyzed. Realization conditions of effective combined (carbide-intermetallide) hardening of the investigated system steels are determined

  17. Reactive bay functionalized perylene monoimide-polyhedral oligomeric silsesquioxane organic electronic dye

    Directory of Open Access Journals (Sweden)

    Wangatia Lodrick Makokha

    2015-03-01

    Full Text Available Aggregation-induced quenching is particularly detrimental in perylene diimides, which are characterized by a near-unity fluorescence quantum yield in solution but are far less emissive in the solid state. Previously, perylene diimide has been improved by linking it to the inorganic cage of polyhedral oligomeric silsesquioxanes. As a further study on perylene diimidepolyhedral oligomeric silsesquioxanes, we report on a double functionalized molecular structure, which can be used for substitution at the bay area and as a side group in other materials. Typical solution absorption and emission features of the perylene diimide fragment have been observed in this new reactive perylene diimide-polyhedral oligomeric silsesquioxane. Moreover, reduced stacking during aggregation and spherical particles exhibiting solid fluorescence have been obtained. Organic semiconducting material with enhanced solid state photophysical properties, like solid fluorescence is a subject of great interest owing to its possible high-tech applications in optoelectronic devices.

  18. Convex polyhedral abstractions, specialisation and property-based predicate splitting in Horn clause verification

    DEFF Research Database (Denmark)

    Kafle, Bishoksan; Gallagher, John Patrick

    2014-01-01

    We present an approach to constrained Horn clause (CHC) verification combining three techniques: abstract interpretation over a domain of convex polyhedra, specialisation of the constraints in CHCs using abstract interpretation of query-answer transformed clauses, and refinement by splitting...... in conjunction with specialisation for propagating constraints it can frequently solve challenging verification problems. This is a contribution in itself, but refinement is needed when it fails, and the question of how to refine convex polyhedral analyses has not been studied much. We present a refinement...... technique based on interpolants derived from a counterexample trace; these are used to drive a property-based specialisation that splits predicates, leading in turn to more precise convex polyhedral analyses. The process of specialisation, analysis and splitting can be repeated, in a manner similar...

  19. Decompositions of the polyhedral product functor with applications to moment-angle complexes and related spaces.

    Science.gov (United States)

    Bahri, A; Bendersky, M; Cohen, F R; Gitler, S

    2009-07-28

    This article gives a natural decomposition of the suspension of a generalized moment-angle complex or partial product space which arises as the polyhedral product functor described below. The introduction and application of the smash product moment-angle complex provides a precise identification of the stable homotopy type of the values of the polyhedral product functor. One direct consequence is an analysis of the associated cohomology. For the special case of the complements of certain subspace arrangements, the geometrical decomposition implies the homological decomposition in earlier work of others as described below. Because the splitting is geometric, an analogous homological decomposition for a generalized moment-angle complex applies for any homology theory. Implied, therefore, is a decomposition for the Stanley-Reisner ring of a finite simplicial complex, and natural generalizations.

  20. hp-version discontinuous Galerkin methods on polygonal and polyhedral meshes

    CERN Document Server

    Cangiani, Andrea; Georgoulis, Emmanuil H; Houston, Paul

    2017-01-01

    Over the last few decades discontinuous Galerkin finite element methods (DGFEMs) have been witnessed tremendous interest as a computational framework for the numerical solution of partial differential equations. Their success is due to their extreme versatility in the design of the underlying meshes and local basis functions, while retaining key features of both (classical) finite element and finite volume methods. Somewhat surprisingly, DGFEMs on general tessellations consisting of polygonal (in 2D) or polyhedral (in 3D) element shapes have received little attention within the literature, despite the potential computational advantages. This volume introduces the basic principles of hp-version (i.e., locally varying mesh-size and polynomial order) DGFEMs over meshes consisting of polygonal or polyhedral element shapes, presents their error analysis, and includes an extensive collection of numerical experiments. The extreme flexibility provided by the locally variable elemen t-shapes, element-sizes, and elemen...

  1. Construction of porous cationic frameworks by crosslinking polyhedral oligomeric silsesquioxane units with N-heterocyclic linkers

    OpenAIRE

    Chen, Guojian; Zhou, Yu; Wang, Xiaochen; Li, Jing; Xue, Shuang; Liu, Yangqing; Wang, Qian; Wang, Jun

    2015-01-01

    In fields of materials science and chemistry, ionic-type porous materials attract increasing attention due to significant ion-exchanging capacity for accessing diversified applications. Facing the fact that porous cationic materials with robust and stable frameworks are very rare, novel tactics that can create new type members are highly desired. Here we report the first family of polyhedral oligomeric silsesquioxane (POSS) based porous cationic frameworks (PCIF-n) with enriched poly(ionic li...

  2. Status of the Polyhedral Mesh Generator using SALOME PLATFORM and TetGen

    International Nuclear Information System (INIS)

    Lee, Sang Yong; Park, Chan Eok; Kim, Shin Whan

    2014-01-01

    Recently developed porous body approach codes such as SPACE and CUPID require a CAD system to estimate the porosity. Since they use the unstructured mesh and they also require reliable mesh generation system. The combination of CAD system and mesh generation system is necessary to cope with a large number of cells and the complex fluid system with structural materials inside. In the past, a CAD system Pro/Engineer and mesh generator Pointwise were evaluated for this application. But, the cost of those commercial CAD and mesh generator is sometimes a great burden. Therefore, efforts have been made to set up a mesh generation system with open source programs. The evaluation of the TetGen has been made in focusing the application for the polyhedral mesh generation. In this paper, SALOME will be described for the efforts to combine TetGen with it. In section 2, brief introduction will be made on the CAD and mesh generation capability of SALOME and Tetgen. SALOME and TetGen codes are being integrated to construct robust polyhedral mesh generator. Procedures to merge boundary faces and to cut concave cells are developed to remove concave cells to get final convex polyhedral mesh. Treating the internal boundary face, i.e. non-manifold face will be the next task in the future investigation

  3. Computer-Aided Panoramic Images Enriched by Shadow Construction on a Prism and Pyramid Polyhedral Surface

    Directory of Open Access Journals (Sweden)

    Jolanta Dzwierzynska

    2017-10-01

    Full Text Available The aim of this study is to develop an efficient and practical method of a direct mapping of a panoramic projection on an unfolded prism and pyramid polyhedral projection surface with the aid of a computer. Due to the fact that straight lines very often appear in any architectural form we formulate algorithms which utilize data about lines and draw panoramas as plots of functions in Mathcad software. The ability to draw panoramic images of lines enables drawing a wireframe image of an architectural object. The application of the multicenter projection, as well as the idea of shadow construction in the panoramic representation, aims at achieving a panoramic image close to human perception. The algorithms are universal as the application of changeable base elements of panoramic projection—horizon height, station point location, number of polyhedral walls—enables drawing panoramic images from various viewing positions. However, for more efficient and easier drawing, the algorithms should be implemented in some graphical package. The representation presented in the paper and the method of its direct mapping on a flat unfolded projection surface can find application in the presentation of architectural spaces in advertising and art when drawings are displayed on polyhedral surfaces and can be observed from multiple viewing positions.

  4. Logical and Geometrical Distance in Polyhedral Aristotelian Diagrams in Knowledge Representation

    Directory of Open Access Journals (Sweden)

    Lorenz Demey

    2017-09-01

    Full Text Available Aristotelian diagrams visualize the logical relations among a finite set of objects. These diagrams originated in philosophy, but recently, they have also been used extensively in artificial intelligence, in order to study (connections between various knowledge representation formalisms. In this paper, we develop the idea that Aristotelian diagrams can be fruitfully studied as geometrical entities. In particular, we focus on four polyhedral Aristotelian diagrams for the Boolean algebra B 4 , viz. the rhombic dodecahedron, the tetrakis hexahedron, the tetraicosahedron and the nested tetrahedron. After an in-depth investigation of the geometrical properties and interrelationships of these polyhedral diagrams, we analyze the correlation (or lack thereof between logical (Hamming and geometrical (Euclidean distance in each of these diagrams. The outcome of this analysis is that the Aristotelian rhombic dodecahedron and tetrakis hexahedron exhibit the strongest degree of correlation between logical and geometrical distance; the tetraicosahedron performs worse; and the nested tetrahedron has the lowest degree of correlation. Finally, these results are used to shed new light on the relative strengths and weaknesses of these polyhedral Aristotelian diagrams, by appealing to the congruence principle from cognitive research on diagram design.

  5. Polygonal Prism Mesh in the Viscous Layers for the Polyhedral Mesh Generator, PolyGen

    International Nuclear Information System (INIS)

    Lee, Sang Yong; Park, Chan Eok; Kim, Shin Whan

    2015-01-01

    Polyhedral mesh has been known to have some benefits over the tetrahedral mesh. Efforts have been made to set up a polyhedral mesh generation system with open source programs SALOME and TetGen. The evaluation has shown that the polyhedral mesh generation system is promising. But it is necessary to extend the capability of the system to handle the viscous layers to be a generalized mesh generator. A brief review to the previous works on the mesh generation for the viscous layers will be made in section 2. Several challenging issues for the polygonal prism mesh generation will be discussed as well. The procedure to generate a polygonal prism mesh will be discussed in detail in section 3. Conclusion will be followed in section 4. A procedure to generate meshes in the viscous layers with PolyGen has been successfully designed. But more efforts have to be exercised to find the best way for the generating meshes for viscous layers. Using the extrusion direction of the STL data will the first of the trials in the near future

  6. Interface Analyses Between a Case-Hardened Ingot Casting Steel and Carbon-Containing and Carbon-Free Refractories

    Science.gov (United States)

    Fruhstorfer, Jens; Dudczig, Steffen; Rudolph, Martin; Schmidt, Gert; Brachhold, Nora; Schöttler, Leandro; Rafaja, David; Aneziris, Christos G.

    2018-06-01

    Corrosion tests of carbon-free and carbon-containing refractories were performed. The carbon-free crucibles corroded, whereas the carbon-containing crucibles were negligibly attacked. On them, inclusions were attached. This study investigates melt oxygen contents, interface properties, and steel compositions with their non-metallic inclusions in order to explore the inclusion formation and deposition mechanisms. The carbon-free crucibles were based on alumina, mullite, and zirconia- and titania-doped alumina (AZT). The carbon-containing (-C) ones were alumina-C and AZT-C. Furthermore, nanoscaled carbon and alumina additives (-n) were applied in an AZT-C-n material. In the crucibles, the case-hardened steel 17CrNiMo7-6 was remelted at 1580 °C. It was observed that the melt and steel oxygen contents were higher for the tests in the carbon-free crucibles. Into these crucibles, the deoxidizing alloying elements Mn and Si diffused. Reducing contents of deoxidizing elements resulted in higher steel oxygen levels and less inclusions, mainly of the inclusion group SiO2-core-MnS-shell (2.5 to 8 μ m). These developed from smaller SiO2 nuclei. The inclusion amount in the steel was highest after remelting in AZT-C-n for 30 minutes but decreased strongly with increasing remelting time (60 minutes) due to inclusions' deposition on the refractory surface. The Ti from the AZT and the nanoadditives supported inclusion growth and deposition. Other inclusion groups were alumina and calcium aluminate inclusions. Their contents were high after remelting in carbon- or AZT-containing crucibles but generally decreased during remelting. On the AZT-C-n crucible, a dense layer formed from vitreous compositions including Al, Ca, Mg, Si, and Ti. To summarize, for reducing forming inclusion amounts, mullite is recommended as refractory material. For capturing formed inclusions, AZT-C-n showed a high potential.

  7. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, T S; Adams, M L [Texas A M Univ., Dept. of Nuclear Engineering, College Station, TX (United States); Yang, B; Zika, M R [Lawrence Livermore National Lab., Livermore, CA (United States)

    2005-07-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses piecewise linear weight and basis functions in the finite element approximation, and it can be applied on arbitrary polygonal (2-dimensional) or polyhedral (3-dimensional) grids. We show that this new PWL method gives solutions comparable to those from Palmer's finite-volume method. However, since the PWL method produces a symmetric positive definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids. (authors)

  8. Polyhedral oligomeric silsequioxane monolayer as a nanoporous interlayer for preparation of low-k dielectric films

    International Nuclear Information System (INIS)

    Liu, Y-L; Liu, C-S; Cho, C-I; Hwu, M-J

    2007-01-01

    Polyhedral oligomeric silsequioxane (POSS) monomer was fixed to a silicon surface by reacting octakis(glycidyldimethylsiloxy)octasilsesquioxane (OG-POSS) with the OH-terminated silicon surface in the presence of tin (II) chloride. The POSS cage layer then served as a nanoporous interlayer to reduce the dielectric constants of polyimide films on silicon surfaces. The chemical structure and surface morphology of OG-POSS modified silicon surfaces were characterized with XPS. With the introduction of a POSS nanopored interlayer, the dielectric constants of polyimide films were reduced

  9. Asymmetrical Polyhedral Configuration of Giant Vesicles Induced by Orderly Array of Encapsulated Colloidal Particles.

    Science.gov (United States)

    Natsume, Yuno; Toyota, Taro

    2016-01-01

    Giant vesicles (GVs) encapsulating colloidal particles by a specific volume fraction show a characteristic configuration under a hypertonic condition. Several flat faces were formed in GV membrane with orderly array of inner particles. GV shape changed from the spherical to the asymmetrical polyhedral configuration. This shape deformation was derived by entropic interaction between inner particles and GV membrane. Because a part of inner particles became to form an ordered phase in the region neighboring the GV membrane, free volume for the other part of particles increased. Giant vesicles encapsulating colloidal particles were useful for the model of "crowding effect" which is the entropic interaction in the cell.

  10. Thermo-mechanical characterization of a monochlorophenyl, hepta isobutyl polyhedral oligomeric silsesquioxane/polystyrene composite

    International Nuclear Information System (INIS)

    Blanco, Ignazio; Bottino, Francesco A.; Cicala, Gianluca; Cozzo, Giulia; Latteri, Alberta; Recca, Antonino

    2014-01-01

    The thermal and mechanical properties of a monochlorophenyl, hepta isobutyl Polyhedral Oligomeric Silsesquioxane/Polystyrene (ph,hib-POSS/PS) composite were studied and compared with those of pristine polymer. ph,hib-POSS/PS system was prepared by solubilization and precipitation of Polystyrene (PS) in the presence of POSS. Scanning Electron Microscopy (SEM) was performed to check the distribution of the filler in the polymer matrix. Dynamic Mechanical Analysis (DMA) was carried out to measure viscoelastic properties of solid samples. Degradations were carried out into a thermobalance and the obtained thermogravimetric (TG) and differential thermogravimetric (DTG) curves were discussed and interpreted

  11. The dynamic behavior of the exohedral transition metal complexes ...

    Indian Academy of Sciences (India)

    NAIWRIT KARMODAK

    Special Issue on THEORETICAL CHEMISTRY/CHEMICAL DYNAMICS. The dynamic behavior ... The ab initio molecular dynamic simulations were performed at. 1200 K to ... boron clusters and the nature of polyhedral boranes suggested that ...

  12. Towards reproducible experimental studies for non-convex polyhedral shaped particles

    Science.gov (United States)

    Wilke, Daniel N.; Pizette, Patrick; Govender, Nicolin; Abriak, Nor-Edine

    2017-06-01

    The packing density and flat bottomed hopper discharge of non-convex polyhedral particles are investigated in a systematic experimental study. The motivation for this study is two-fold. Firstly, to establish an approach to deliver quality experimental particle packing data for non-convex polyhedral particles that can be used for characterization and validation purposes of discrete element codes. Secondly, to make the reproducibility of experimental setups as convenient and readily available as possible using affordable and accessible technology. The primary technology for this study is fused deposition modeling used to 3D print polylactic acid (PLA) particles using readily available 3D printer technology. A total of 8000 biodegradable particles were printed, 1000 white particles and 1000 black particles for each of the four particle types considered in this study. Reproducibility is one benefit of using fused deposition modeling to print particles, but an extremely important additional benefit is that specific particle properties can be explicitly controlled. As an example in this study the volume fraction of each particle can be controlled i.e. the effective particle density can be adjusted. In this study the particle volumes reduces drastically as the non-convexity is increased, however all printed white particles in this study have the same mass within 2% of each other.

  13. Towards reproducible experimental studies for non-convex polyhedral shaped particles

    Directory of Open Access Journals (Sweden)

    Wilke Daniel N.

    2017-01-01

    Full Text Available The packing density and flat bottomed hopper discharge of non-convex polyhedral particles are investigated in a systematic experimental study. The motivation for this study is two-fold. Firstly, to establish an approach to deliver quality experimental particle packing data for non-convex polyhedral particles that can be used for characterization and validation purposes of discrete element codes. Secondly, to make the reproducibility of experimental setups as convenient and readily available as possible using affordable and accessible technology. The primary technology for this study is fused deposition modeling used to 3D print polylactic acid (PLA particles using readily available 3D printer technology. A total of 8000 biodegradable particles were printed, 1000 white particles and 1000 black particles for each of the four particle types considered in this study. Reproducibility is one benefit of using fused deposition modeling to print particles, but an extremely important additional benefit is that specific particle properties can be explicitly controlled. As an example in this study the volume fraction of each particle can be controlled i.e. the effective particle density can be adjusted. In this study the particle volumes reduces drastically as the non-convexity is increased, however all printed white particles in this study have the same mass within 2% of each other.

  14. Fourth class of convex equilateral polyhedron with polyhedral symmetry related to fullerenes and viruses.

    Science.gov (United States)

    Schein, Stan; Gayed, James Maurice

    2014-02-25

    The three known classes of convex polyhedron with equal edge lengths and polyhedral symmetry--tetrahedral, octahedral, and icosahedral--are the 5 Platonic polyhedra, the 13 Archimedean polyhedra--including the truncated icosahedron or soccer ball--and the 2 rhombic polyhedra reported by Johannes Kepler in 1611. (Some carbon fullerenes, inorganic cages, icosahedral viruses, geodesic structures, and protein complexes resemble these fundamental shapes.) Here we add a fourth class, "Goldberg polyhedra," which are also convex and equilateral. We begin by decorating each of the triangular facets of a tetrahedron, an octahedron, or an icosahedron with the T vertices and connecting edges of a "Goldberg triangle." We obtain the unique set of internal angles in each planar face of each polyhedron by solving a system of n equations and n variables, where the equations set the dihedral angle discrepancy about different types of edge to zero, and the variables are a subset of the internal angles in 6gons. Like the faces in Kepler's rhombic polyhedra, the 6gon faces in Goldberg polyhedra are equilateral and planar but not equiangular. We show that there is just a single tetrahedral Goldberg polyhedron, a single octahedral one, and a systematic, countable infinity of icosahedral ones, one for each Goldberg triangle. Unlike carbon fullerenes and faceted viruses, the icosahedral Goldberg polyhedra are nearly spherical. The reasoning and techniques presented here will enable discovery of still more classes of convex equilateral polyhedra with polyhedral symmetry.

  15. Fractionated-combustion analysis of carbonate-containing phases in composite materials of the hydroxyapatite-calcium carbonate system

    Science.gov (United States)

    Goldberg, M. A.; Shibaeva, T. V.; Smirnov, V. V.; Kutsev, S. V.; Barinov, S. M.; Grigorovich, K. V.

    2012-12-01

    Materials in the hydroxyapatite (HA)-calcium carbonate (CC) system were synthesized by a precipitation method from aqueous solutions. According to the data of X-ray phase analysis and IR spectroscopy, the powders consisted of CC and AB-type carbonate-substituted HA (CHA). In order to determine the content of carbonate-containing phases in materials, the temperature-temporal mode of fractionated-combustion analysis of carbon was developed. The quantitative phase ratios and the degree of substitution of carbonate groups in CHA were determined. It was shown that the degree of substitution of carbonate groups in CHA increased from 2.47 to 5.31 wt % as the CC content increased from 13.50 to 88.33 wt %.

  16. Polyhedral Lyapunov functions structurally ensure global asymptotic stability of dynamical networks iff the Jacobian is non-singular

    NARCIS (Netherlands)

    Blanchini, Franco; Giordano, G.

    2017-01-01

    For a vast class of dynamical networks, including chemical reaction networks (CRNs) with monotonic reaction rates, the existence of a polyhedral Lyapunov function (PLF) implies structural (i.e., parameter-free) local stability. Global structural stability is ensured under the additional

  17. Immobilization of isolated FI catalyst on polyhedral oligomeric silsesquioxane-functionalized silica for the synthesis of weakly entangled polyethylene.

    Science.gov (United States)

    Li, Wei; Yang, Huaqin; Zhang, Jingjing; Mu, Jingshan; Gong, Dirong; Wang, Xiaodong

    2016-09-25

    Polyhedral oligomeric silsesquioxanes (POSSs) were adsorbed on methylaluminoxane-activated silica for the immobilization of fluorinated bis(phenoxyimine)Ti complexes (FI catalyst). These POSSs have been characterized as horizontal spacers isolating the active sites and hindering the chain overlap in polymerization. The heterogeneous catalyst exhibits considerable activity in the synthesis of weakly entangled polyethylene.

  18. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, Teresa S. [Texas A and M University, Department of Nuclear Engineering, College Station, TX 77843-3133 (United States)], E-mail: baileyte@tamu.edu; Adams, Marvin L. [Texas A and M University, Department of Nuclear Engineering, College Station, TX 77843-3133 (United States)], E-mail: mladams@tamu.edu; Yang, Brian [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States); Zika, Michael R. [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)], E-mail: zika@llnl.gov

    2008-04-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses recently introduced piecewise linear weight and basis functions in the finite element approximation and it can be applied on arbitrary polygonal (2D) or polyhedral (3D) grids. We first demonstrate some analytical properties of the PWL method and perform a simple mode analysis to compare the PWL method with Palmer's vertex-centered finite-volume method and with a bilinear continuous finite element method. We then show that this new PWL method gives solutions comparable to those from Palmer's. However, since the PWL method produces a symmetric positive-definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids.

  19. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, T.S.; Adams, M.L. [Texas A M Univ., Dept. of Nuclear Engineering, College Station, TX (United States); Yang, B.; Zika, M.R. [Lawrence Livermore National Lab., Livermore, CA (United States)

    2005-07-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses piecewise linear weight and basis functions in the finite element approximation, and it can be applied on arbitrary polygonal (2-dimensional) or polyhedral (3-dimensional) grids. We show that this new PWL method gives solutions comparable to those from Palmer's finite-volume method. However, since the PWL method produces a symmetric positive definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids. (authors)

  20. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    International Nuclear Information System (INIS)

    Bailey, Teresa S.; Adams, Marvin L.; Yang, Brian; Zika, Michael R.

    2008-01-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses recently introduced piecewise linear weight and basis functions in the finite element approximation and it can be applied on arbitrary polygonal (2D) or polyhedral (3D) grids. We first demonstrate some analytical properties of the PWL method and perform a simple mode analysis to compare the PWL method with Palmer's vertex-centered finite-volume method and with a bilinear continuous finite element method. We then show that this new PWL method gives solutions comparable to those from Palmer's. However, since the PWL method produces a symmetric positive-definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids

  1. Hedgehog Buckyball: A High-Symmetry Complete Polyhedral Oligomeric Silsesquioxane (POSS

    Directory of Open Access Journals (Sweden)

    Yu Hu

    2016-08-01

    Full Text Available In this study, we report UV-MALDI-TOF MS evidence of a fullerene-like silsesquioxane, a high-symmetry polyhedral oligomeric silsesquioxane (POSS or SSO formulated as R60-Si60O90 or T60 (T = RSiO1.5. The T60 preparation can be performed using a normal hydrolytic condensation of [(3-methacryloxypropyl]trimethoxysilane (MPMS as an example. Theoretically, four 3sp3 hybrid orbitals (each containing an unpaired electron of a Si atom are generated before the bond formation. Then it bonds to another four atom electrons using the four generated hybrid orbitals which produced a stable configuration. This fullerene-like silsesquioxane should exhibit much more functionality, activity and selectivity and is easier to assemble than the double bonds in a fullerene.

  2. Multifunctional Mesoporous Ionic Gels and Scaffolds Derived from Polyhedral Oligomeric Silsesquioxanes.

    Science.gov (United States)

    Lee, Jin Hong; Lee, Albert S; Lee, Jong-Chan; Hong, Soon Man; Hwang, Seung Sang; Koo, Chong Min

    2017-02-01

    A new methodology for fabrication of inorganic-organic hybrid ionogels and scaffolds is developed through facile cross-linking and solution extraction of a newly developed ionic polyhedral oligomeric silsesquioxane with inorganic core. Through design of various cationic tertiary amines, as well as cross-linkable functional groups on each arm of the inorganic core, high-performance ionogels are fabricated with excellent electrochemical stability and unique ion conduction behavior, giving superior lithium ion battery performance. Moreover, through solvent extraction of the liquid components, hybrid scaffolds with well-defined, interconnected mesopores are utilized as heterogeneous catalysts for the CO 2 -catalyzed cycloaddition of epoxides. Excellent catalytic performance, as well as highly efficient recyclability are observed when compared to other previous literature materials.

  3. Efficient light-emitting devices based on platinum-complexes-anchored polyhedral oligomeric silsesquioxane materials

    KAUST Repository

    Yang, Xiaohui

    2010-08-24

    The synthesis, photophysical, and electrochemical characterization of macromolecules, consisting of an emissive platinum complex and carbazole moieties covalently attached to a polyhedral oligomeric silsesquioxane (POSS) core, is reported. Organic light-emitting devices based on these POSS materials exhibit a peak external quantum efficiency of ca. 8%, which is significantly higher than that of the analogous devices with a physical blend of the platinum complexes and a polymer matrix, and they represent noticeable improvement in the device efficiency of solution-processable phosphorescent excimer devices. Furthermore, the ratio of monomer and excimer/aggregate electroluminescent emission intensity, as well as the device efficiency, increases as the platinum complex moiety presence on the POSS macromolecules decreases. © 2010 American Chemical Society.

  4. Flow cytometry evidence of human granulocytes interaction with polyhedral oligomeric silsesquioxanes: effect of nanoparticle charge

    International Nuclear Information System (INIS)

    Renò, Filippo; Rizzi, Manuela; Pittarella, Pamela; Carniato, Fabio; Olivero, Francesco; Marchese, Leonardo

    2013-01-01

    Nanoparticles (NPs) entering the human body are immediately confronted with the innate part of human immune system. In particular, monocyte and neutrophil granulocytes readily clear particles by phagocytosis, even if in the case of NPs the uptake mechanism may be classified as macropinocytosis. Among engineered nanoparticles, in the last years, siliceous materials have emerged as promising materials for several applications ranging from catalysis to biomedical. The polyhedral oligomeric silsesquioxanes (POSS) are nanodimensional, easily synthesizable molecular compounds and POSS-based systems are promising carriers for biological molecules. In this work, the ability of human granulocytes to uptake positively and negatively charged POSS was measured using a simple flow cytometry analysis based on cell size modifications. The data obtained showed that after a 30 min exposure only positive NPs were uptaken by human granulocyte using both macropinocytosis and clathrin-mediated mechanisms as demonstrated by uptake inhibition mediated by amiloride and chlorpromazine. (paper)

  5. Spontaneous growth of the polyhedral fullerene crystals in the supersaturated Ni-C(60) composite

    Czech Academy of Sciences Publication Activity Database

    Vacík, Jiří; Lavrentiev, Vasyl; Michalcová, A.; Abe, H.; Horák, Pavel

    2011-01-01

    Roč. 509, č. 1 (2011), S380-S383 ISSN 0925-8388. [17th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM 2010). Zurich, 04.09.2010-09.06.2010] R&D Projects: GA ČR GAP107/11/1856; GA AV ČR(CZ) KAN400480701; GA AV ČR(CZ) IAA400320901; GA AV ČR IAA200480702; GA ČR GA106/09/1264; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z40320502 Keywords : Nickel * Fullerene s * Phase separation * Polyhedral particles Subject RIV: JJ - Other Materials Impact factor: 2.289, year: 2011

  6. Development of highly open polyhedral networks from vitreous carbon for orthopaedic applications

    Science.gov (United States)

    Güiza-Argüello, V.; Bayona-Becerra, M.; Cruz-Orellana, S.; Córdoba-Tuta, E.

    2017-01-01

    Highly open polyhedral networks were fabricated using an economical and environmentally friendly template route. Recycled cellulose foams were impregnated with a sucrose resin and then pyrolyzed in order to produce reticulated vitreous carbon foams with morphological features that closely resemble trabecular bone. Also, cell sizes ~1mm were achieved, a trait that will allow the mechanical reinforcement of such scaffolds using a biomaterial coating without compromising the pore size that favors osteoblast cell infiltration and growth (200-500µm). Moreover, initial studies showed that carbonization conditions have an effect on the mechanical properties of the synthesized foams and, therefore, such process parameters could be further evaluated towards the enhancement of the mechanical resistance of the scaffolds. The materials developed here are visualized as the porous component of a synthetic bone graft with features that could help overcome the current limitations associated with the medical treatments used for bone defect repair.

  7. Descriptive and Computer Aided Drawing Perspective on an Unfolded Polyhedral Projection Surface

    Science.gov (United States)

    Dzwierzynska, Jolanta

    2017-10-01

    The aim of the herby study is to develop a method of direct and practical mapping of perspective on an unfolded prism polyhedral projection surface. The considered perspective representation is a rectilinear central projection onto a surface composed of several flat elements. In the paper two descriptive methods of drawing perspective are presented: direct and indirect. The graphical mapping of the effects of the representation is realized directly on the unfolded flat projection surface. That is due to the projective and graphical connection between points displayed on the polyhedral background and their counterparts received on the unfolded flat surface. For a significant improvement of the construction of line, analytical algorithms are formulated. They draw a perspective image of a segment of line passing through two different points determined by their coordinates in a spatial coordinate system of axis x, y, z. Compared to other perspective construction methods that use information about points, for computer vision and the computer aided design, our algorithms utilize data about lines, which are applied very often in architectural forms. Possibility of drawing lines in the considered perspective enables drawing an edge perspective image of an architectural object. The application of the changeable base elements of perspective as a horizon height and a station point location enable drawing perspective image from different viewing positions. The analytical algorithms for drawing perspective images are formulated in Mathcad software, however, they can be implemented in the majority of computer graphical packages, which can make drawing perspective more efficient and easier. The representation presented in the paper and the way of its direct mapping on the flat unfolded projection surface can find application in presentation of architectural space in advertisement and art.

  8. Compatible discrete operator schemes on polyhedral meshes for elliptic and Stokes equations

    International Nuclear Information System (INIS)

    Bonelle, Jerome

    2014-01-01

    This thesis presents a new class of spatial discretization schemes on polyhedral meshes, called Compatible Discrete Operator (CDO) schemes and their application to elliptic and Stokes equations In CDO schemes, preserving the structural properties of the continuous equations is the leading principle to design the discrete operators. De Rham maps define the degrees of freedom according to the physical nature of fields to discretize. CDO schemes operate a clear separation between topological relations (balance equations) and constitutive relations (closure laws). Topological relations are related to discrete differential operators, and constitutive relations to discrete Hodge operators. A feature of CDO schemes is the explicit use of a second mesh, called dual mesh, to build the discrete Hodge operator. Two families of CDO schemes are considered: vertex-based schemes where the potential is located at (primal) mesh vertices, and cell-based schemes where the potential is located at dual mesh vertices (dual vertices being in one-to-one correspondence with primal cells). The CDO schemes related to these two families are presented and their convergence is analyzed. A first analysis hinges on an algebraic definition of the discrete Hodge operator and allows one to identify three key properties: symmetry, stability, and P0-consistency. A second analysis hinges on a definition of the discrete Hodge operator using reconstruction operators, and the requirements on these reconstruction operators are identified. In addition, CDO schemes provide a unified vision on a broad class of schemes proposed in the literature (finite element, finite element, mimetic schemes... ). Finally, the reliability and the efficiency of CDO schemes are assessed on various test cases and several polyhedral meshes. (author)

  9. An exact line integral representation of the physical optics scattered field: the case of a perfectly conducting polyhedral structure illuminated by electric Hertzian dipoles

    DEFF Research Database (Denmark)

    Johansen, Peter M.; Breinbjerg, Olav

    1995-01-01

    An exact line integral representation of the electric physical optics scattered field is presented. This representation applies to scattering configurations with perfectly electrically conducting polyhedral structures illuminated by a finite number of electric Hertzian dipoles. The positions...

  10. Synthesis and characterization of an octaimidazolium-based polyhedral oligomeric silsesquioxanes ionic liquid by an ion-exchange reaction.

    Science.gov (United States)

    Tan, Jinglin; Ma, Depeng; Sun, Xingrong; Feng, Shengyu; Zhang, Changqiao

    2013-04-07

    Preparation of POSS-min-DS, an octaimidazolium-based polyhedral oligomeric silsesquioxanes (POSS) room temperature ionic liquid, by an ion-exchange reaction between POSS and sodium dodecyl sulfate was reported. Octaimidazolium-based POSS was synthesized with more than 98% yield within 3 h. POSS-min-DS and octaimidazolium-based POSS were confirmed by (1)H, (13)C, and (29)Si NMR, FT-IR and elemental analysis.

  11. Use of organic precursors and graphenes in the controlled synthesis of carbon-containing nanomaterials for energy storage and conversion.

    Science.gov (United States)

    Yang, Shubin; Bachman, Robert E; Feng, Xinliang; Müllen, Klaus

    2013-01-15

    The development of high-performance electrochemical energy storage and conversion devices, including supercapacitors, lithium-ion batteries, and fuel cells, is an important step on the road to alternative energy technologies. Carbon-containing nanomaterials (CCNMs), defined here as pure carbon materials and carbon/metal (oxide, hydroxide) hybrids with structural features on the nanometer scale, show potential application in such devices. Because of their pronounced electrochemical activity, high chemical and thermal stability and low cost, researchers are interested in CCNMs to serve as electrodes in energy-related devices. Various all-carbon materials are candidates for electrochemical energy storage and conversion devices. Furthermore, carbon-based hybrid materials, which consist of a carbon component with metal oxide- or metal hydroxide-based nanostructures, offer the opportunity to combine the attractive properties of these two components and tune the behavior of the resulting materials. As such, the design and synthesis of CCNMs provide an attractive route for the construction of high-performance electrode materials. Studies in these areas have revealed that both the composition and the fabrication protocol employed in preparing CCNMs influence the morphology and microstructure of the resulting material and its electrochemical performance. Consequently, researchers have developed several synthesis strategies, including hard-templated, soft-templated, and template-free synthesis of CCNMs. In this Account, we focus on recent advances in the controlled synthesis of such CCNMs and the potential of the resulting materials for energy storage or conversion applications. The Account is divided into four major categories based on the carbon precursor employed in the synthesis: low molecular weight organic or organometallic molecules, hyperbranched or cross-linked polymers consisting of aromatic subunits, self-assembling discotic molecules, and graphenes. In each case

  12. Self-assembled amphiphilic polyhedral oligosilsesquioxane (POSS) grafted poly(vinyl alcohol) (PVA) nanoparticles

    International Nuclear Information System (INIS)

    Sheikh, Faheem A.; Barakat, Nasser A.M.; Kim, Byoung-Suhk; Aryal, Santosh; Khil, Myung-Seob; Kim, Hak-Yong

    2009-01-01

    In the present study, spherical nanoparticles (NPs) containing polyhedral oligosilsesquioxane (POSS) as an inner hydrophobic core and poly(vinyl alcohol) PVA as a hydrophilic outer shell were prepared by dialysis approach. Preparation of amphiphilic POSS-grafted-PVA co-polymer was characterized by 1 H NMR and FT-IR. The results indicated urethane linkage between monoisocyanate group of POSS macromer and the hydroxyl groups of PVA. The dynamic light scattering (DLS) and electrophoretic light scattering (ELS) of the NPs revealed that they have an average hydrodynamic diameter and negative zeta (ζ)-potential of 215 nm and - 161 mV, respectively. Atomic force microscopy (AFM) and bio-transmission electron microscope (BIO-TEM) have shown unagglomerated NPs within a diameter range of 60-90 nm. The prepared NPs were investigated to improve the control release of anticancer drug; paclitaxel as a model drug. Due to drug loading, the hydrodynamic diameter and negative zeta (ζ)-potential have changed to 325 nm and - 14 mV, respectively. In addition, in-vitro drug release experiments were conducted; the obtained results explicated continuous release for over 40 days. However, in case of using pure drug only, the drug completely released within 1 h.

  13. Coatings of molecularly imprinted polymers based on polyhedral oligomeric silsesquioxane for open tubular capillary electrochromatography.

    Science.gov (United States)

    Zhao, Qing-Li; Zhou, Jin; Zhang, Li-Shun; Huang, Yan-Ping; Liu, Zhao-Sheng

    2016-05-15

    Polyhedral oligomeric silsesquioxane (POSS) was successfully applied, for the first time, to prepare imprinted monolithic coating for capillary electrochromatography. The imprinted monolithic coating was synthesized with a mixture of PSS-(1-Propylmethacrylate)-heptaisobutyl substituted (MA 0702), S-amlodipine (template), methacrylic acid (functional monomer), and 2-methacrylamidopropyl methacrylate (crosslinker), in a porogenic mixture of toluene-isooctane. The influence of synthesis parameters on the imprinting effect and separation performance, including the amount of MA 0702, the ratio of template to monomer, and the ratio of monomer to crosslinker, was investigated. The greatest resolution for enantiomers separation on the imprinted monolithic column prepared with MA 0702 was up to 22.3, about 2 times higher than that prepared in absence of the POSS. Column efficiency on the POSS-based MIP coatings was beyond 30,000 plate m(-1). The comparisons between MIP coating synthesized with the POSS and without the POSS were made in terms of selectivity, column efficiency, and resolution. POSS-based MIP capillaries with naproxen or zopiclone was also prepared and separation of enantiomers can be achieved. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Synthesis of Zirconium-Containing Polyhedral Oligometallasilsesquioxane as an Efficient Thermal Stabilizer for Silicone Rubber

    Directory of Open Access Journals (Sweden)

    Jiedong Qiu

    2018-05-01

    Full Text Available Free radicals play a negative role during the thermal degradation of silicone rubber (SR. Quenching free radicals is proposed to be an efficient way to improve the thermal-oxidative stability of SR. In this work, a novel zirconium-containing polyhedral oligometallasilsesquioxane (Zr-POSS with free-radical quenching capability was synthesized and characterized. The incorporation of Zr-POSS effectively improved the thermal-oxidative stability of SR. The T5 (temperature at 5% weight loss of SR/Zr-POSS significantly increased by 31.7 °C when compared to the unmodified SR. Notably, after aging 12 h at 280 °C, SR/Zr-POSS was still retaining about 65%, 60%, 75%, and 100% of the tensile strength, tear strength, elongation at break, and hardness before aging, respectively, while the mechanical properties of the unmodified SR were significantly decreased. The possible mechanism of Zr-POSS for improving the thermal-oxidative stability of SR was intensively studied and it was revealed that the POSS structure could act as a limiting point to suppress the random scission reaction of backbone. Furthermore, Zr could quench the free radicals by its empty orbital and transformation of valence states. Therefore, it effectively suppressed the thermal-oxidative degradation and crosslinking reaction of the side chains.

  15. A new equi-dimensional fracture model using polyhedral cells for microseismic data sets

    KAUST Repository

    Al-Hinai, Omar

    2017-04-09

    We present a method for modeling flow in porous media in the presence of complex fracture networks. The approach utilizes the Mimetic Finite Difference (MFD) method. We employ a novel equi-dimensional approach for meshing fractures. By using polyhedral cells we avoid the common challenge in equi-dimensional fracture modeling of creating small cells at the intersection point. We also demonstrate how polyhedra can mesh complex fractures without introducing a large number of cells. We use polyhedra and the MFD method a second time for embedding fracture boundaries in the matrix domain using a “cut-cell” paradigm. The embedding approach has the advantage of being simple and localizes irregular cells to the area around the fractures. It also circumvents the need for conventional mesh generation, which can be challenging when applied to complex fracture geometries. We present numerical results confirming the validity of our approach for complex fracture networks and for different flow models. In our first example, we compare our method to the popular dual-porosity technique. Our second example compares our method with directly meshed fractures (single-porosity) for two-phase flow. The third example demonstrates two-phase flow for the case of intersecting ellipsoid fractures in three-dimensions, which are typical in microseismic analysis of fractures. Finally, we demonstrate our method on a two-dimensional fracture network produced from microseismic field data.

  16. Dielectric properties of polyhedral oligomeric silsesquioxane (POSS)-based nanocomposites at 77k

    International Nuclear Information System (INIS)

    Pan, Ming-Jen; Gorzkowski, Edward; McAllister, Kelly

    2011-01-01

    The goal of this study is to develop dielectric nanocomposites for high energy density applications at liquid nitrogen temperature by utilizing a unique nano-material polyhedral oligomeric silsesquioxanes (POSS). A POSS molecule is consisted of a silica cage core with 8 silicon and 12 oxygen atoms and organic functional groups attached to the corners of the cage. In this study, we utilize POSS for the fabrication of nanocomposites both as a silica nanoparticle filler to enhance the breakdown strength and as a surfactant for effective dispersion of high permittivity ceramic nanoparticles in a polymer matrix. The matrix materials selected for the study are polyvinylidene fluoride (PVDF) and poly(methyl methacrylate) (PMMA). The ceramic nanoparticles are barium strontium titanate (BST 50/50) and strontium titanate. The dielectric properties of the solution-cast nanocomposites films were correlated to the composition and processing conditions. We determined that the addition of POSS did not provide enhanced dielectric performance in PVDF- and PMMA-based materials at either room temperature or 77K. In addition, we found that the dielectric breakdown strength of PMMA is lower at 77K than at room temperature, contradicting literature data.

  17. Structure-properties relationships of polyhedral oligomeric silsesquioxane (POSS filled PS nanocomposites

    Directory of Open Access Journals (Sweden)

    J. J. Schwab

    2012-07-01

    Full Text Available The polyhedral oligomeric silsesquioxane (POSS additivated polystyrene (PS based nanocomposites were prepared by melt processing and the structure-properties relationships of the POSS-PS systems were compared to those of the neat PS. In order to investigate the effect of these structural parameters on the final properties of the polymer nanocomposites, five different kinds of POSS samples were used, in particular, POSS with different inorganic cage and with different organic pendent groups. The rheological investigation suggests clearly that the POSS acts as a plasticizer and that the processability of the PS was positively modified. The affinity between the POSS samples and the PS matrix was estimated by the calculated theoretical solubility parameters, considering the Hoy’s method and by morphology analysis. Minor difference between the solubility parameter of POSS and the matrix means better compatibility and no aggregation tendency. Furthermore, the POSS loading leads to a decrease of the rigidity, of the glass transition temperature and of the damping factor of the nanocomposite systems. The loading of different POSS molecules with open cage leads to a more pronounced effect on all the investigated properties that the loading of the POSS molecules with closed cage. Moreover, the melt properties are significantly influenced by the type of inorganic framework, by the type of the pendent organic groups and by the interaction between the POSS organic groups and the host matrix, while, the solid state properties appears to be influenced more by the kind of cage.

  18. Quantifying the thermodynamic interactions of polyhedral boranes in solution to guide nanocomposite fabrication

    International Nuclear Information System (INIS)

    Mutz, M.; Eastwood, Eric; Lee, Mark E.; Bowen, Daniel E.; Dadmun, M. D.

    2012-01-01

    The solubility of boron containing nanoparticles in a variety of solvents is quantified using static light scattering in conjunction with refractometry. Four polyhedral boranes were tested in this work, using refractometry to obtain dn/dc, while static light scattering quantifies A 2 . A 2 obtained from these measurements was then used to calculate χ, the solute–solvent interaction parameter, and the Hildebrand solubility parameter, δ, which provides a quantifiable method to identify good solvents. Of the nanoparticles studied, 1,3-di-o-carboranylpropane is thermodynamically stable in toluene, with a χ less than 0.5, a solubility limit of 2.47 mg/mL, and all solutions remaining clear with no visible particle settling. For all of the particles tested, there was good correlation between the physical observations of the solutions, χ, and δ. For instance, lower values of χ correspond to a smaller radius of gyration (R g ). A list of suitable solvents based on δ is also presented.

  19. Quantifying the thermodynamic interactions of polyhedral boranes in solution to guide nanocomposite fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Mutz, M. [University of Tennessee, Department of Chemistry (United States); Eastwood, Eric [Honeywell Kansas City Plant (United States); Lee, Mark E. [University of Missouri (United States); Bowen, Daniel E. [Honeywell Kansas City Plant (United States); Dadmun, M. D., E-mail: dad@utk.edu [University of Tennessee, Department of Chemistry (United States)

    2012-11-15

    The solubility of boron containing nanoparticles in a variety of solvents is quantified using static light scattering in conjunction with refractometry. Four polyhedral boranes were tested in this work, using refractometry to obtain dn/dc, while static light scattering quantifies A{sub 2}. A{sub 2} obtained from these measurements was then used to calculate {chi}, the solute-solvent interaction parameter, and the Hildebrand solubility parameter, {delta}, which provides a quantifiable method to identify good solvents. Of the nanoparticles studied, 1,3-di-o-carboranylpropane is thermodynamically stable in toluene, with a {chi} less than 0.5, a solubility limit of 2.47 mg/mL, and all solutions remaining clear with no visible particle settling. For all of the particles tested, there was good correlation between the physical observations of the solutions, {chi}, and {delta}. For instance, lower values of {chi} correspond to a smaller radius of gyration (R{sub g}). A list of suitable solvents based on {delta} is also presented.

  20. Photo-polymerization of photocurable resins containing polyhedral oligomeric silsesquioxane methacrylate

    International Nuclear Information System (INIS)

    Lin, Ho-May; Wu, Shi-Yin; Chang, Feng-Chih; Yen, Ying-Chieh

    2011-01-01

    Photocurable resins, bisphenol A propoxylate glycerolate diacrylate (BPA-PGDA, containing two hydroxyl) and bisphenol A propoxylate diacrylate (BPA-PDA), with fixed photoinitiator (Irgacure 907) concentration and various contents of methacrylisobutyl polyhedral oligomeric silsesquioxane (MI-POSS) were prepared and characterized by FTIR spectroscopy, scanning electron microscope and differential photocalorimetry. The MI-POSS molecules form crystals or aggregated particles in the cured resin matrix. The BPA-PGDA series photocurable resins show higher viscosity and lower photo-polymerization reactivity than the BPA-PDA series resins. The photo-polymerization rate and conversion of BPA-PGDA series are improved with increasing MI-POSS content. On the contrary, the photo-polymerization behavior of BPA-PDA series photocurable resins remains nearly unchanged by the addition of MI-POSS. Hydrogen-bonding interaction between the hydroxyl of BPA-PGDA and the siloxane of MI-POSS tends to attract and concentrate these acrylate double bonds around MI-POSS particles and thus enhances the photo-polymerization rate and conversion.

  1. Transparent cellulose/polyhedral oligomeric silsesquioxane nanocomposites with enhanced UV-shielding properties.

    Science.gov (United States)

    Feng, Ye; Zhang, Jinming; He, Jiasong; Zhang, Jun

    2016-08-20

    The solubility of eight types of polyhedral oligomeric silsesquioxane (POSS) derivatives in an ionic liquid 1-allyl-3-methylimidazolium chloride (AmimCl) and the dispersion of POSS in cellulose matrix were examined. Only a special POSS containing both aminophenyl and nitrophenyl groups (POSS-AN, NH2:NO2=2:6) was selected to prepare nanocomposites, because of its good solubility in AmimCl and high stability during the preparation process. POSS-AN nanoparticles were uniformly dispersed in a cellulose matrix with a size of 30-40nm, and so the resultant cellulose/POSS-AN nanocomposite films were transparent. The mechanical properties of the films achieved a maximum tensile strength of 190MPa after addition of 2wt% POSS-AN. Interestingly, all of the cellulose/POSS-AN films exhibited high UV-absorbing capability. For the 15wt% cellulose/POSS-AN film, the transmittance of UVA (315-400nm) and UVB (280-315nm) was only 9.1% and nearly 0, respectively. The UV aging and shielding experiments showed that the transparent cellulose/POSS-AN nanocomposite films possessed anti-UV aging and UV shielding properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Construction of porous cationic frameworks by crosslinking polyhedral oligomeric silsesquioxane units with N-heterocyclic linkers

    Science.gov (United States)

    Chen, Guojian; Zhou, Yu; Wang, Xiaochen; Li, Jing; Xue, Shuang; Liu, Yangqing; Wang, Qian; Wang, Jun

    2015-06-01

    In fields of materials science and chemistry, ionic-type porous materials attract increasing attention due to significant ion-exchanging capacity for accessing diversified applications. Facing the fact that porous cationic materials with robust and stable frameworks are very rare, novel tactics that can create new type members are highly desired. Here we report the first family of polyhedral oligomeric silsesquioxane (POSS) based porous cationic frameworks (PCIF-n) with enriched poly(ionic liquid)-like cationic structures, tunable mesoporosities, high surface areas (up to 1,025 m2 g-1) and large pore volumes (up to 0.90 cm3 g-1). Our strategy is designing the new rigid POSS unit of octakis(chloromethyl)silsesquioxane and reacting it with the rigid N-heterocyclic cross-linkers (typically 4,4‧-bipyridine) for preparing the desired porous cationic frameworks. The PCIF-n materials possess large surface area, hydrophobic and special anion-exchanging property, and thus are used as the supports for loading guest species PMo10V2O405- the resultant hybrid behaves as an efficient heterogeneous catalyst for aerobic oxidation of benzene and H2O2-mediated oxidation of cyclohexane.

  3. Polyhedral microcrystals encapsulating bone morphogenetic protein 2 improve healing in the alveolar ridge.

    Science.gov (United States)

    Matsumoto, Goichi; Ueda, Takayo; Sugita, Yoshihiko; Kubo, Katsutoshi; Mizoguchi, Megumi; Kotani, Eiji; Oda, Naoki; Kawamata, Shin; Segami, Natsuki; Mori, Hajime

    2015-08-01

    Atelocollagen sponges incorporating polyhedra encapsulating bone morphogenetic protein 2 (BMP-2) were implanted into lateral bone defects in the mandible. Half of the bone defects on the left side were treated with atelocollagen sponges containing 1.8 × 10(7) BMP-2 polyhedra, and half were treated with sponges containing 3.6 × 10(6) BMP-2 polyhedra. As controls, we treated the right-side bone defects in each animal with an atelocollagen sponge containing 5 µg of recombinant human BMP-2 (rhBMP-2) or 1.8 × 10(7) empty polyhedral. After a healing period of six months, whole mandibles were removed for micro-computed tomography (CT) and histological analyses. Micro-CT images showed that more bone had formed at all experimental sites than at control sites. However, the density of the new bone was not significantly higher at sites with an atelocollagen sponge containing BMP-2 polyhedra than at sites with an atelocollagen sponge containing rhBMP-2 or empty polyhedra. Histological examination confirmed that the BMP-2 polyhedra almost entirely replaced the atelocollagen sponges and connected the original bone with the regenerated bone. These results show that the BMP-2 delivery system facilitates the regeneration of new bone in the mandibular alveolar bone ridge and has an advance in the technology of bone regeneration for implant site development. © The Author(s) 2015.

  4. Recurring polyhedral motifs in the amorphous indium gallium zinc oxide network

    International Nuclear Information System (INIS)

    Divya; Deepak; Prasad, Rajendra

    2017-01-01

    The coordination polyhedra around the cations are the building blocks of ionic solids. For amorphous InGaZn oxide (a-IGZO), these coordination polyhedra are identified to investigate properties that depend on short range interactions. Therefore, in this first principles based study, a large number (10) of samples of a-IGZO were prepared by ab initio melt-and-quench molecular dynamics, so that several distinct samples of the amorphous landscape are obtained corresponding to local minima in energy. Based on a method of comparing bond angles between metal and oxygen atoms, the identified polyhedra were matched to the polyhedral motifs present in the related crystalline systems, such as, InGaZnO_4, In_2O_3, Ga_2O_3, and ZnO. Consequently, we find, the a-IGZO primarily consists of the following polyhedra: a tetrahedron from space group 199 and an octahedron from space group 206 of In_2O_3; a tetrahedron from space group 12 and an octahedron from space group 167 of Ga_2O_3; a tetrahedron from space group 186 of ZnO; zinc and gallium trigonal bipyramids from c-IGZO; and one zinc fourfold, one zinc fivefold, and one indium fivefold coordination polyhedra that occur only in the amorphous phase. Thus, we were able to reduce the description of structure from 360 to 10 groups of polyhedra. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Preparation and characterization of polyhedral oligomer silsesquioxane nanocomposites incorporated in epoxy resin

    International Nuclear Information System (INIS)

    Longhi, Marielen; Zini, Lucas Pandolphi; Birriel, Eliena Jonko; Kunst, Sandra Raquel; Zattera, Ademir Jose

    2015-01-01

    The incorporation of nanofiller in thermosetting like epoxy resin as has been studied in order to modify its properties. In this research, nanocomposites were obtained by incorporating 5% by weight of three polyhedral oligomeric silsesquioxane (POSS) with different number of functionalization: Glicidilisobutil-POSS, Triglicidilisobutil- POSS and Glicicil POSS in an epoxy matrix by sonification process. The nanocomposites were characterized by analysis of X-ray diffraction (DRX), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). The DRX analysis showed the characteristic peak of POSS and TEM images showed that there is a difference in the dispersion of nanocages for the difference in the number of epoxy groups on the POSS. The incorporation of Glicidilisobutil-POSS showed a significant increase in the glass transition temperature (Tg) value, and also that the most effective from the viewpoint of the dispersion, on the other hand, the Glycidyl-POSS had a greater influence on the thermal stability demonstrating that the dispersion medium is an important characteristic to define the most desirable properties. (author)

  6. Polyhedral oligomeric silsesquioxane (POSS)–poly(ethylene glycol) (PEG) hybrids as injectable biomaterials

    International Nuclear Information System (INIS)

    Engstrand, Johanna; López, Alejandro; Engqvist, Håkan; Persson, Cecilia

    2012-01-01

    One of the major issues with the currently available injectable biomaterials for hard tissue replacement is the mismatch between their mechanical properties and those of the surrounding bone. Hybrid bone cements that combine the benefits of tough polymeric and bioactive ceramic materials could become a good alternative. In this work, polyhedral oligomeric silsesquioxane (POSS) was copolymerized with poly(ethylene glycol) (PEG) to form injectable in situ cross-linkable hybrid cements. The hybrids were characterized in terms of their mechanical, rheological, handling and in vitro bioactive properties. The results indicated that hybridization improves the mechanical and bioactive properties of POSS and PEG. The Young moduli of the hybrids were lower than those of commercial cements and more similar to those of cancellous bone. Furthermore, the strength of the hybrids was similar to that of commercial cements. Calcium deficient hydroxyapatite grew on the surface of the hybrids after 28 days in PBS, indicating bioactivity. The study showed that PEG–POSS-based hybrid materials are a promising alternative to commercial bone cements. (paper)

  7. In-situ photocrosslinkable nanohybrid elastomer based on polybutadiene/polyhedral oligomeric silsesquioxane

    Energy Technology Data Exchange (ETDEWEB)

    Mirmohammadi, Seyed Amin, E-mail: mirmohammadi.sa@gmail.com [Department of Polymerization Engineering, Iran Polymer and Petrochemical Institute (IPPI), P. O. Box: 14965/115, Tehran (Iran, Islamic Republic of); Nekoomanesh-Haghighi, Mehdi, E-mail: m.nekoomanesh@ippi.ac.ir [Department of Polymerization Engineering, Iran Polymer and Petrochemical Institute (IPPI), P. O. Box: 14965/115, Tehran (Iran, Islamic Republic of); Mohammadian Gezaz, Somayyeh [Department of Chemical Engineering, Payame Noor University (PNU), P. O. Box: 19395-3697, Tehran (Iran, Islamic Republic of); Bahri-Laleh, Naeimeh [Department of Polymerization Engineering, Iran Polymer and Petrochemical Institute (IPPI), P. O. Box: 14965/115, Tehran (Iran, Islamic Republic of); Atai, Mohammad [Department of Polymer Science, Iran Polymer and Petrochemical Institute (IPPI), P. O. Box: 14965/115, Tehran (Iran, Islamic Republic of)

    2016-11-01

    Hydroxyl functionalized nano-sized POSS or ethyleneglycol as diol monomers was incorporated to hydroxyl-terminated polybutadiene (HTPBD) chain in the presence of fumaryl chloride as extender. Blue light photocrosslinking system based on camphorquinone (photoinitiator) and dimethylaminoethyl methacrylate (accelerator) was applied to cure these two synthesized fumarate based macromers. Self-crosslinkability of unsaturated macromers and also crosslinking in presence of a reactive diluent were investigated in absence and presence of 1,4-butanediol dimethacrylate, respectively. Finally, photocured samples were characterized by XRD, SEM, equilibrium swelling study, TGA, DMTA, AFM and cell culture. The results showed that incorporation of POSS nanoparticle into the polymer matrix with a perfect distribution and dispersion can enhance thermal stability, mechanical and biocompatibility properties which can prove a good potential of this in-situ photocrosslinkable nanohybrid in medical applications. - Highlights: • Polyhedral oligomeric silsesquioxane was incorporated to HTPBD by fumaryl chloride as extender. • A reactive diluent was used to improve photocrosslinking process of the unsaturated nanohybrid elastomers. • Nanohybrids showed enhanced properties such as thermal stability, mechanical and biocompatibility. • Improved properties were obtained for photocured samples in presence of reactive diluent.

  8. A new equi-dimensional fracture model using polyhedral cells for microseismic data sets

    KAUST Repository

    Al-Hinai, Omar; Dong, Rencheng; Srinivasan, Sanjay; Wheeler, Mary F.

    2017-01-01

    We present a method for modeling flow in porous media in the presence of complex fracture networks. The approach utilizes the Mimetic Finite Difference (MFD) method. We employ a novel equi-dimensional approach for meshing fractures. By using polyhedral cells we avoid the common challenge in equi-dimensional fracture modeling of creating small cells at the intersection point. We also demonstrate how polyhedra can mesh complex fractures without introducing a large number of cells. We use polyhedra and the MFD method a second time for embedding fracture boundaries in the matrix domain using a “cut-cell” paradigm. The embedding approach has the advantage of being simple and localizes irregular cells to the area around the fractures. It also circumvents the need for conventional mesh generation, which can be challenging when applied to complex fracture geometries. We present numerical results confirming the validity of our approach for complex fracture networks and for different flow models. In our first example, we compare our method to the popular dual-porosity technique. Our second example compares our method with directly meshed fractures (single-porosity) for two-phase flow. The third example demonstrates two-phase flow for the case of intersecting ellipsoid fractures in three-dimensions, which are typical in microseismic analysis of fractures. Finally, we demonstrate our method on a two-dimensional fracture network produced from microseismic field data.

  9. Bioactivity and properties of a dental adhesive functionalized with polyhedral oligomeric silsesquioxanes (POSS) and bioactive glass.

    Science.gov (United States)

    Rizk, Marta; Hohlfeld, Lisa; Thanh, Loan Tao; Biehl, Ralf; Lühmann, Nicole; Mohn, Dirk; Wiegand, Annette

    2017-09-01

    This study aimed to analyze the effect of infiltrating a commercial adhesive with nanosized bioactive glass (BG-Bi) particles or methacryl-functionalized polyhedral oligomeric silsesquioxanes (POSS) on material properties and bioactivity. An acetone-based dental adhesive (Solobond Plus adhesive, VOCO GmbH, Cuxhaven, Germany) was infiltrated with nanosized bioactive glass particles (0.1 or 1wt%), or with monofunctional or multifunctional POSS particles (10 or 20wt%). Unfilled adhesive served as control. Dispersion and hydrodynamic radius of the nanoparticles were studied by dynamic light scattering. Set specimens were immersed for 28days in artificial saliva at 37°C, and surfaces were mapped for the formation of calcium phospate (Ca/P) precipitates (scanning electron microscopy/energy-dispersive X-ray spectroscopy). Viscosity (rheometry) and the structural characteristic of the networks were studied, such as degree of conversion (FTIR spectroscopy), sol fraction and water sorption. POSS particles showed a good dispersion of the particles for both types of particles being smaller than 3nm, while the bioactive glass particles had a strong tendency to agglomerate. All nanoparticles induced the formation of Ca/P precipitates. The viscosity of the adhesive was not or only slightly increased by POSS particle addition but strongly increased by the bioactive glass particles. The degree of conversion, water sorption and sol fraction showed a maintained or improved network structure and properties when filled with BG-Bi and multifunctional POSS, however, less polymerization was found when loading a monofunctional POSS. Multifunctional POSS may be incorporated into dental adhesives to provide a bioactive potential without changing material properties adversely. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  10. Structure–property relationships in hybrid dental nanocomposite resins containing monofunctional and multifunctional polyhedral oligomeric silsesquioxanes

    Directory of Open Access Journals (Sweden)

    Wang WG

    2014-02-01

    Full Text Available Weiguo Wang,1,* Xiang Sun,1,* Li Huang,2,* Yu Gao,1 Jinghao Ban,1 Lijuan Shen,1 Jihua Chen1 1Department of Prosthodontics, 2Department of General Dentistry and Emergency, School of Stomatology, Fourth Military Medical University, Xi'an, People's Republic of China*These authors contributed equally to this workAbstract: Organic-inorganic hybrid materials, such as polyhedral oligomeric silsesquioxanes (POSS, have the potential to improve the mechanical properties of the methacrylate-based composites and resins used in dentistry. In this article, nanocomposites of methacryl isobutyl POSS (MI-POSS [bears only one methacrylate functional group] and methacryl POSS (MA-POSS [bears eight methacrylate functional groups] were investigated to determine the effect of structures on the properties of dental resin. The structures of the POSS-containing networks were determined by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy. Monofunctional POSS showed a strong tendency toward aggregation and crystallization, while multifunctional POSS showed higher miscibility with the dimethacrylate monomer. The mechanical properties and wear resistance decreased with increasing amounts of MI-POSS, indicating that the MI-POSS agglomerates act as the mechanical weak point in the dental resins. The addition of small amounts of MA-POSS improved the mechanical and shrinkage properties. However, samples with a higher MA-POSS concentration showed lower flexural strength and flexural modulus, indicating that there is a limited range in which the reinforcement properties of MA-POSS can operate. This concentration dependence is attributed to phase separation at higher concentrations of POSS, which affects the structural integrity, and thus, the mechanical and shrinkage properties of the dental resin. Our results show that resin with 3% MA-POSS is a potential candidate for resin-based dental materials

  11. Morphological evolution in dewetting polystyrene/polyhedral oligomeric silsesquioxane thin film bilayers.

    Science.gov (United States)

    Paul, Rituparna; Karabiyik, Ufuk; Swift, Michael C; Hottle, John R; Esker, Alan R

    2008-05-06

    Morphological evolution in dewetting thin film bilayers of polystyrene (PS) and a polyhedral oligomeric silsesquioxane (POSS), trisilanolphenyl-POSS (TPP), was studied as a function of annealing temperature and annealing time. The results demonstrate unique dewetting morphologies in PS/TPP bilayers at elevated temperatures that are significantly different from those typically observed in dewetting polymer/polymer bilayers. During temperature ramp studies by optical microscopy (OM) in the reflection mode, PS/TPP bilayers form cracks with a weak optical contrast at approximately 130 degrees C. The crack formation is attributed to tensile stresses within the upper TPP layer. The weak optical contrast of the cracks observed in the bilayers for annealing temperatures below approximately 160 degrees C is consistent with the cracking and dewetting of only the upper TPP layer from the underlying PS layer. The optical contrast of the morphological features is significantly enhanced at annealing temperatures of >160 degrees C. This observation suggests dewetting of both the upper TPP and the lower PS layers that results in the exposure of the silicon substrate. Upon annealing the PS/TPP bilayers at 200 degrees C in a temperature jump experiment, the upper TPP layer undergoes instantaneous cracking as observed by OM. These cracks in the upper TPP layer serve as nucleation sites for rapid dewetting and aggregation of the TPP layer, as revealed by OM and atomic force microscopy (AFM). X-ray photoelectron spectroscopy (XPS) results indicated that dewetting of the lower PS layer ensued for annealing times >5 min and progressed up to 90 min. For annealing times >90 min, OM, AFM, and XPS results revealed complete dewetting of both the layers with the formation of TPP encapsulated PS droplets.

  12. Recurring polyhedral motifs in the amorphous indium gallium zinc oxide network

    Energy Technology Data Exchange (ETDEWEB)

    Divya; Deepak [Department of Materials Science and Engineering, Indian Institute of Technology, Kanpur (India); National Center for Flexible Electronics, Indian Institute of Technology, Kanpur (India); Prasad, Rajendra [Department of Physics, Indian Institute of Technology, Kanpur (India)

    2017-02-15

    The coordination polyhedra around the cations are the building blocks of ionic solids. For amorphous InGaZn oxide (a-IGZO), these coordination polyhedra are identified to investigate properties that depend on short range interactions. Therefore, in this first principles based study, a large number (10) of samples of a-IGZO were prepared by ab initio melt-and-quench molecular dynamics, so that several distinct samples of the amorphous landscape are obtained corresponding to local minima in energy. Based on a method of comparing bond angles between metal and oxygen atoms, the identified polyhedra were matched to the polyhedral motifs present in the related crystalline systems, such as, InGaZnO{sub 4}, In{sub 2}O{sub 3}, Ga{sub 2}O{sub 3}, and ZnO. Consequently, we find, the a-IGZO primarily consists of the following polyhedra: a tetrahedron from space group 199 and an octahedron from space group 206 of In{sub 2}O{sub 3}; a tetrahedron from space group 12 and an octahedron from space group 167 of Ga{sub 2}O{sub 3}; a tetrahedron from space group 186 of ZnO; zinc and gallium trigonal bipyramids from c-IGZO; and one zinc fourfold, one zinc fivefold, and one indium fivefold coordination polyhedra that occur only in the amorphous phase. Thus, we were able to reduce the description of structure from 360 to 10 groups of polyhedra. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Endohedral complexes of Polyhedral Oligomeric Silsesquioxane (POSS) cages with transition metal dihydrides

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiqiao; Corn, John; Hagelberg, Frank, E-mail: hagelber@etsu.edu

    2013-11-29

    Highlights: • Comparative studies of POSS cages with endohedral metal dihydrides. • Exothermic inclusion was found for the T{sub 10} cage with MH{sub 2}, M = Ti, Ru, Os, Pt. • Within this group of metal atoms, the only exothermic MH{sub 4}@T{sub m} unit is that with M = Os. • Enhanced hydrogen atom density, as compared to free MH{sub 4}, was found in the cage. • No exothermic solutions were identified for MH{sub 6}@T{sub 10}. - Abstract: Polyhedral Oligomeric Silsesquioxane (POSS) cages are investigated in terms of their potential to enclose small metal hydrides, with the objective of defining conditions that maximize the number of encapsulated hydrogen atoms. Systems of the form MH{sub 2n}@T{sub m}, where n = 1–3, m = 8, 10, and M comprises metal atom species of the groups IV, VI, VIII, X, and XII, are studied by methods of ab initio and density functional theory (DFT). The resulting composites are categorized with respect to their structural and energetic features. For MH{sub 2}@T{sub 8}, it is found in all cases considered that including MH{sub 2} into the POSS cage is an endothermic process. For MH{sub 2}@T{sub 10} and M = Ti, Ru, Os, Pt, inclusion of the MH{sub 2} guest into the cage turns out to be exothermic, and also leaves the cage intact. For MH{sub 4}@T{sub m}, this behavior is only observed for one system, OsH{sub 4}@T{sub 10}.

  14. Composite polymer electrolyte containing ionic liquid and functionalized polyhedral oligomeric silsesquioxanes for anhydrous PEM applications.

    Science.gov (United States)

    Subianto, Surya; Mistry, Mayur K; Choudhury, Namita Roy; Dutta, Naba K; Knott, Robert

    2009-06-01

    A new type of supported liquid membrane was made by combining an ionic liquid (IL) with a Nafion membrane reinforced with multifunctional polyhedral oligomeric silsesquioxanes (POSSs) using a layer-by-layer strategy for anhydrous proton-exchange membrane (PEM) application. The POSS was functionalized by direct sulfonation, and the sulfonated POSS (S-POSS) was incorporated into Nafion 117 membranes by the infiltration method. The resultant hybrid membrane shows strong ionic interaction between the Nafion matrix and the multifunctional POSS, resulting in increased glass transition temperature and thermal stability at very low loadings of S-POSS (1%). The presence of S-POSS has also improved the proton conductivity especially at low humidities, where it shows a marked increase due to its confinement in the ionic domains and promotes water uptake by capillary condensation. In order to achieve anhydrous conductivity, the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMI-BTSI) was incorporated into these membranes to provide proton conduction in the absence of water. Although the incorporation of an IL shows a plasticizing effect on the Nafion membrane, the S-POSS composite membrane with an IL shows a higher modulus at high temperatures compared to Nafion 117 and a Nafion-IL membrane, with significantly higher proton conductivity (5 mS/cm at 150 degrees C with 20% IL). This shows the ability of the multifunctional POSS and IL to work symbiotically to achieve the desirable proton conductivity and mechanical properties of such membranes by enhancing the ionic interaction within the material.

  15. Synthesis and characterization of polyhedral oligomeric titanized silsesquioxane: A new biocompatible cage like molecule for biomedical application

    Energy Technology Data Exchange (ETDEWEB)

    Yahyaei, Hossein [Department of Polymer Engineering and Color Technology, Amirkabir University of Technology, P.O. Box 15875-4413, Tehran (Iran, Islamic Republic of); Mohseni, Mohsen, E-mail: mmohseni@aut.ac.ir [Department of Polymer Engineering and Color Technology, Amirkabir University of Technology, P.O. Box 15875-4413, Tehran (Iran, Islamic Republic of); Ghanbari, Hossein [Department of Medical Nanotechnology, School of Advanced Technologies in Medicine, Tehran University of Medical Sciences (TUMS), Tehran (Iran, Islamic Republic of); Messori, Massimo [Dipartimento di Ingegneria ‘Enzo Ferrari’, Università di Modena e Reggio Emilia, Modena (Italy)

    2016-04-01

    Organic–inorganic hybrid materials have shown improved properties to be used as biocompatible coating in biomedical applications. Polyhedral oligomeric silsesquioxane (POSS) containing coatings are among hybrid materials showing promising properties for these applications. In this work an open cage POSS has been reacted with a titanium alkoxide to end cap the POSS molecule with titanium atom to obtain a so called polyhedral oligomeric metalized silsesquioxane (POMS). The synthesized POMS was characterized by FTIR, RAMAN and UV–visible spectroscopy as well as {sup 29}Si NMR and matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) techniques. Appearance of peaks at 920 cm{sup −1} in FTIR and 491 cm{sup −1} and 1083 cm{sup −1} in Raman spectra confirmed Si–O–Ti linkage formation. It was also demonstrated that POMS was in a monomeric form. To evaluate the biocompatibility of hybrids films, pristine POSS and synthesized POMS were used in synthesis of a polycarbonate urethane polymer. Results revealed that POMS containing hybrid, not only had notable thermal and mechanical stability compared to POSS containing one, as demonstrated by DSC and DMTA analysis, they also showed controlled surface properties in such a manner that hydrophobicity and biocompatibility were both reachable to give rise to improved cell viability in presence of human umbilical vein endothelial cells (HUVEC) and MRC-5 cells. - Highlight: • Polyhedral Oligomeric Metalized Silsesquioxane (POMS) based on titanium was synthesized. • POMS can improve mechanical properties of polyurethane. • POMS increases hydrophobicity of polyurethane. • POMS is a unique nanocage to enhance biocompatibility of polyurethane.

  16. A New Star-shaped Carbazole Derivative with Polyhedral Oligomeric Silsesquioxane Core: Crystal Structure and Unique Photoluminescence Property.

    Science.gov (United States)

    Xu, Zixuan; Yu, Tianzhi; Zhao, Yuling; Zhang, Hui; Zhao, Guoyun; Li, Jianfeng; Chai, Lanqin

    2016-01-01

    A new inorganic–organic hybrid material based on polyhedral oligomeric silsesquioxane (POSS) capped with carbazolyl substituents, octakis[3-(carbazol-9-yl)propyldimethylsiloxy]-silsesquioxane (POSS-8Cz), was successfully synthesized and characterized. The X-ray crystal structure of POSS-8Cz were described. The photophysical properties of POSS-8Cz were investigated by using UV–vis,photoluminescence spectroscopic analysis. The hybrid material exhibits blue emission in the solution and the solid film.The morphology and thermal stablity properties were measured by X-ray diffraction (XRD) and TG-DTA analysis.

  17. Investigation of prototypal MOFs consisting of polyhedral cages with accessible Lewis-acid sites for quinoline synthesis.

    Science.gov (United States)

    Gao, Wen-Yang; Leng, Kunyue; Cash, Lindsay; Chrzanowski, Matthew; Stackhouse, Chavis A; Sun, Yinyong; Ma, Shengqian

    2015-03-21

    A series of prototypal metal-organic frameworks (MOFs) consisting of polyhedral cages with accessible Lewis-acid sites, have been systematically investigated for Friedländer annulation reaction, a straightforward approach to synthesizing quinoline and its derivatives. Amongst them MMCF-2 demonstrates significantly enhanced catalytic activity compared with the benchmark MOFs, HKUST-1 and MOF-505, as a result of a high-density of accessible Cu(II) Lewis acid sites and large window size in the cuboctahedral cage-based nanoreactor of MMCF-2.

  18. Polymer-modified copper catalysts on carbon-containing support for reactions of H2O2 decomposition and cyclohexane oxidation

    Directory of Open Access Journals (Sweden)

    S. Auezkhanova

    2012-12-01

    Full Text Available Polymer-copper catalysts supported on a carbon-containing sorbent(CS, obtained by rice husk pyrolysis have been studied in the reactions of hydrogen peroxide decomposition and cyclohexane oxidation by hydrogen peroxide at 40°C and atmospheric pressure. The effect of the polymer nature on the activity of the developed catalysts have been shown. Polyhexamethyleneguanidine (PHMG was an optimal modifier for the developed catalysts. The calculated number of catalytic cycles (TON for 7% Cu-PGMG/CS was 450.

  19. Polyhedral meshing as an innovative approach to computational domain discretization of a cyclone in a fluidized bed CLC unit

    Directory of Open Access Journals (Sweden)

    Sosnowski Marcin

    2017-01-01

    Full Text Available Chemical Looping Combustion (CLC is a technology that allows the separation of CO2, which is generated by the combustion of fossil fuels. The majority of process designs currently under investigation are systems of coupled fluidized beds. Advances in the development of power generation system using CLC cannot be introduced without using numerical modelling as a research tool. The primary and critical activity in numerical modelling is the computational domain discretization. It influences the numerical diffusion as well as convergence of the model and therefore the overall accuracy of the obtained results. Hence an innovative approach of computational domain discretization using polyhedral (POLY mesh is proposed in the paper. This method reduces both the numerical diffusion of the mesh as well as the time cost of preparing the model for subsequent calculation. The major advantage of POLY mesh is that each individual cell has many neighbours, so gradients can be much better approximated in comparison to commonly-used tetrahedral (TET mesh. POLYs are also less sensitive to stretching than TETs which results in better numerical stability of the model. Therefore detailed comparison of numerical modelling results concerning subsection of CLC system using tetrahedral and polyhedral mesh is covered in the paper.

  20. Dependence of boron cluster dissolution on the annealing ambient

    International Nuclear Information System (INIS)

    Radic, Ljubo; Lilak, Aaron D.; Law, Mark E.

    2002-01-01

    Boron is introduced into silicon via implantation to form p-type layers. This process creates damage in the crystal that upon annealing causes enhanced diffusion and clustering of the boron layer. Reactivation of the boron is not a well-understood process. In this letter we experimentally investigate the effect of the annealing ambient on boron reactivation kinetics. An oxidizing ambient which injects silicon interstitials is compared to an inert ambient. Contrary to published theory, an excess of interstitials does not accelerate the reactivation process

  1. Spacetime Distributions of Wildfire Areas and Emissions of Carbon-Containing Gases and Aerosols in Northern Eurasia according to Satellite-Monitoring Data

    Science.gov (United States)

    Bondur, V. G.; Gordo, K. A.; Kladov, V. L.

    2017-12-01

    Based on online wildfire satellite-monitoring data, distributions of burned-out areas, as well as emission volumes of carbon-containing gases (CO and CO2) and fine aerosols (PM2.5), for different regions and months in 2005-2016 (across the territory of Russia) and in 2010-2016 (northern Eurasia) are analyzed. Distinctive features of the seasonal behavior of wildfires and emission volumes of carbon-containing gases and fine aerosols for different regions of northern Eurasia are determined. It is shown that between 2005 and 2016 the annual area of territories burned out during wildfires in Russia decreased by almost a factor of 2.6 owing to early detection and suppression of fire sources. It is determined that in 2014-2016 the relative size of burned-out areas in Ukraine increased 6-9-fold and volumes of CO, CO2, and PM2.5 emissions by more than a factor of 6.5-7.5 times when compared to earlier years and these characteristics for other European countries.

  2. High-order nonlinear optical processes in ablated carbon-containing materials: Recent approaches in development of the nonlinear spectroscopy using harmonic generation in the extreme ultraviolet range

    Science.gov (United States)

    Ganeev, R. A.

    2017-08-01

    The nonlinear spectroscopy using harmonic generation in the extreme ultraviolet range became a versatile tool for the analysis of the optical, structural and morphological properties of matter. The carbon-contained materials have shown the advanced properties among other studied species, which allowed both the definition of the role of structural properties on the nonlinear optical response and the analysis of the fundamental features of carbon as the attractive material for generation of coherent short-wavelength radiation. We review the studies of the high-order harmonic generation by focusing ultrashort pulses into the plasmas produced during laser ablation of various organic compounds. We discuss the role of ionic transitions of ablated carbon-containing molecules on the harmonic yield. We also show the similarities and distinctions of the harmonic and plasma spectra of organic compounds and graphite. We discuss the studies of the generation of harmonics up to the 27th order (λ = 29.9 nm) of 806 nm radiation in the boron carbide plasma and analyze the advantages and disadvantages of this target compared with the ingredients comprising B4C (solid boron and graphite) by comparing plasma emission and harmonic spectra from three species. We also show that the coincidence of harmonic and plasma emission wavelengths in most cases does not cause the enhancement or decrease of the conversion efficiency of this harmonic.

  3. On the evaluation of the gravity effects of polyhedral bodies and a consistent treatment of related singularities

    Science.gov (United States)

    D'Urso, M. G.

    2013-03-01

    We show that the singularities which can affect the computation of the gravity effects (potential, gravity and tensor gradient fields) can be systematically addressed by invoking distribution theory and suitable formulas of differential calculus. Thus, differently from previous contributions on the subject, the use of a-posteriori corrections of the formulas derived in absence of singularities can be ruled out. The general approach presented in the paper is further specialized to the case of polyhedral bodies and detailed for a rectangular prism having a constant mass density. With reference to this last case, we derive novel expressions for the related gravitational field, as well as for its first and second derivative, at an observation point coincident with a prism vertex and show that they turn out to be more compact than the ones reported in the specialized literature.

  4. Multiwalled carbon nanotubes@octavinyl polyhedral oligomeric silsesquioxanes nanocomposite preparation via cross-linking reaction in acidic media

    Energy Technology Data Exchange (ETDEWEB)

    Somasekharan, Lakshmipriya; Thomas, Sabu [Mahatma Gandhi University, International and Interuniversity Centre for Nanoscience and Nanotechnology (India); Comoy, Corinne [Université de Lorraine, SRSMC, UMR 7565 (France); Sivasankarapillai, Anilkumar [NSS Hindu College (India); Kalarikkal, Nandakumar [Mahatma Gandhi University, International and Interuniversity Centre for Nanoscience and Nanotechnology (India); Lamouroux, Emmanuel, E-mail: Emmanuel.Lamouroux@univ-lorraine.fr [Université de Lorraine, SRSMC, UMR 7565 (France)

    2016-11-15

    Multiwalled carbon nanotubes have unique properties allowing their use in a wide range of applications—from microelectronics to biomedical and polymer fields. Nevertheless, a crucial aspect for their use resides in the ease of handling them during the process. Here, we report a facile route to prepare multiwalled carbon nanotubes@octavinyl polyhedral oligomeric silsesquioxanes (MWCNT@POSS) nanocomposite. The method involves the formation of a covalent bond between carboxylated MWCNTs and OV-POSS using acid-catalyzed electrophilic addition reaction. The resulting nanocomposite have been characterized by Fourier transform infrared spectroscopy (FTIR), powder X-Ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). The results confirmed that the formation of MWCNT@POSS nanocomposite did not deteriorate MWCNT structure or morphology. Here, we used a 1:1 ratio of carboxylated MWCNTs and OV-POSS and the POSS content in the nanocomposite was 39.5 wt%.

  5. Fouling behaviors of polybenzimidazole (PBI)-polyhedral oligomeric silsesquioxane (POSS)/polyacrylonitrile (PAN) hollow fiber membranes for engineering osmosis processes

    KAUST Repository

    Chen, Sicong; Fu, Xiuzhu; Chung, Neal Tai-Shung

    2014-01-01

    This paper investigated the individual effects of reverse salt flux and permeate flux on fouling behaviors of as-spun and annealed polybenzimidazole (PBI)-polyhedral oligomeric silsesquioxane (POSS)/polyacrylonitrile (PAN) hollow fiber membranes under forward osmosis (FO) and pressure retarded osmosis (PRO) processes. Two types of membrane fouling had been studied; namely, inorganic fouling (CaSO4·2H2O gypsum scaling) during FO operations and organic fouling (sodium alginate fouling) during PRO operations. It is found that gypsum scaling on the membrane surface may be inhibited and even eliminated with an increase in reverse MgCl2 flux due to competitive formations of MgSO4° and CaSO4·2H2O. In contrast, the increase of reverse NaCl flux exhibits a slight enhancement on alginate fouling in both FO and PRO processes. Comparing to the reverse salt flux, the permeate flux always plays a dominant role in fouling. Therefore, lesser fouling has been observed on the membrane surface under the pressurized PRO process than FO process because the reduced initial flux mitigates the fouling phenomena more significantly than the enhancement caused by an increase in reverse NaCl flux. © 2013 Elsevier B.V.

  6. Polyhedral-Like NiMn-Layered Double Hydroxide/Porous Carbon as Electrode for Enhanced Electrochemical Performance Supercapacitors.

    Science.gov (United States)

    Yu, Mei; Liu, Ruili; Liu, Jianhua; Li, Songmei; Ma, Yuxiao

    2017-11-01

    Polyhedral-like NiMn-layered double hydroxide/porous carbon (NiMn-LDH/PC-x) composites are successfully synthesized by hydrothermal method (x = 1, 2 means different mass percent of porous carbon (PC) in composites). The NiMn-LDH/PC-1 composites possess specific capacitance 1634 F g -1 at a current density of 1 A g -1 , and it is much better than that of pure LDH (1095 F g -1 at 1 A g -1 ). Besides, the sample can retain 84.58% of original capacitance after 3000 cycles at 15 A g -1 . An asymmetric supercapacitor with NiMn-LDH/PC-1 as anode and activated carbon as cathode is fabricated, and the supercapacitor can achieve an energy density of 18.60 Wh kg -1 at a power density of 225.03 W kg -1 . The enhanced electrochemical performance attributes to the high faradaic pseudocapacitance of NiMn-LDH, the introduction of PC, and the 3D porous structure of LDH/PC-1 composites. The introduction of PC hinders serious agglomeration of LDH and further accelerates ions transport. The encouraging results indicate that these materials are one of the most potential candidates for energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Development of Biodegradable Poly(citrate)-Polyhedral Oligomeric Silsesquioxanes Hybrid Elastomers with High Mechanical Properties and Osteogenic Differentiation Activity.

    Science.gov (United States)

    Du, Yuzhang; Yu, Meng; Chen, Xiaofeng; Ma, Peter X; Lei, Bo

    2016-02-10

    Biodegradable elastomeric biomaterials have attracted much attention in tissue engineering due to their biomimetic viscoelastic behavior and biocompatibility. However, the low mechanical stability at hydrated state, fast biodegradation in vivo, and poor osteogenic activity greatly limited bioelastomers applications in bone tissue regeneration. Herein, we develop a series of poly(octanediol citrate)-polyhedral oligomeric silsesquioxanes (POC-POSS) hybrids with highly tunable elastomeric behavior (hydrated state) and biodegradation and osteoblasts biocompatibility through a facile one-pot thermal polymerization strategy. POC-POSS hybrids show significantly improved stiffness and ductility in either dry or hydrated conditions, as well as good antibiodegradation ability (20-50% weight loss in 3 months). POC-POSS hybrids exhibit significantly enhanced osteogenic differentiation through upregulating alkaline phosphatase (ALP) activity, calcium deposition, and expression of osteogenic markers (ALPL, BGLAP, and Runx2). The high mechanical stability at hydrated state and enhanced osteogenic activity make POC-POSS hybrid elastomers promising as scaffolds and nanoscale vehicles for bone tissue regeneration and drug delivery. This study may also provide a new strategy (controlling the stiffness under hydrated condition) to design advanced hybrid biomaterials with high mechanical properties under physiological condition for tissue regeneration applications.

  8. Preparation of polyhedral oligomeric silsesquioxane based hybrid monoliths by ring-opening polymerization for capillary LC and CEC.

    Science.gov (United States)

    Lin, Hui; Zhang, Zhenbin; Dong, Jing; Liu, Zhongshan; Ou, Junjie; Zou, Hanfa

    2013-09-01

    A new organic-inorganic hybrid monolith was prepared by the ring-opening polymerization of octaglycidyldimethylsilyl polyhedral oligomeric silsesquioxane (POSS) with 1,4-butanediamine (BDA) using 1-propanol, 1,4-butanediol, and PEG 10,000 as a porogenic system. Benefiting from the moderate phase separation process, the resulting poly(POSS-co-BDA) hybrid monolith possessed a uniform microstructure and exhibited excellent performance in chromatographic applications. Neutral, acidic, and basic compounds were successfully separated on the hybrid monolith in capillary LC (cLC), and high column efficiencies were achieved in all of the separations. In addition, as the amino groups could generate a strong EOF, the hybrid monolith was also applied in CEC for the separation of neutral and polar compounds, and a satisfactory performance was obtained. These results demonstrate that the poly(POSS-co-BDA) hybrid monolith is a good separation media in chromatographic separations of various types of compounds by both cLC and CEC. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Structural Analysis of Polyhedral Oligomeric Silsesquioxane Coated SiC Nanoparticles and Their Applications in Thermoset Polymers

    International Nuclear Information System (INIS)

    Reza-E-Rabby, M.; Jeelani, Sh.; Rangari, V. K.

    2015-01-01

    The SiC nanoparticles (NPs) were sonochemically coated with Octa Isobutyl (OI) polyhedral oligomeric silsesquioxane (POSS) to create a compatible interface between particle and thermoset polymer. X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD) techniques were used to analyze the structure of OI-POSS coated SiC nanoparticles. These results revealed the formation of a covalent bonding between SiC and OI-POSS. The transmission electron microscopy (TEM) analysis of OI-POSS coated SiC nanoparticles has also shown the indication of attachment between these two nanoparticles. The OI-POSS coated SiC nanoparticles were further reinforced into a thermoset resin system in order to evaluate mechanical and thermal properties of nano composites. The flexural strength, modulus, and glass transition temperature were found to be enhanced while SiC and OI-POSS coated SiC were infused into epoxy system compared to those properties of neat epoxy resin

  10. The slice balance approach (SBA): a characteristic-based, multiple balance SN approach on unstructured polyhedral meshes

    International Nuclear Information System (INIS)

    Grove, R.E.

    2005-01-01

    The Slice Balance Approach (SBA) is an approach for solving geometrically-complex, neutral-particle transport problems within a multi-group discrete ordinates (S N ) framework. The salient feature is an angle-dependent spatial decomposition. We approximate general surfaces with arbitrary polygonal faces and mesh the geometry with arbitrarily-shaped polyhedral cells. A cell-local spatial decomposition divides cells into angle-dependent slices for each S N direction. This subdivision follows from a characteristic-based view of the transport problem. Most balance-based characteristic methods use it implicitly; we use it explicitly and exploit its properties. Our mathematical approach is a multiple balance approach using exact spatial moments balance equations on cells and slices along with auxiliary relations on slices. We call this the slice balance approach; it is a characteristic-based multiple balance approach. The SBA is intentionally general and can extend differencing schemes to arbitrary 2-D and 3-D meshes. This work contributes to development of general-geometry deterministic transport capability to complement Monte Carlo capability for large, geometrically-complex transport problems. The purpose of this paper is to describe the SBA. We describe the spatial decomposition and mathematical framework and highlight a few interesting properties. We sketch the derivation of two solution schemes, a step characteristic scheme and a diamond-difference-like scheme, to illustrate the approach and we present interesting results for a 2-D problem. (author)

  11. Sn-doped polyhedral In2O3 particles: Synthesis, characterization, and origins of luminous emission in wide visible range

    International Nuclear Information System (INIS)

    Zhu Yunqing; Chen Yiqing

    2012-01-01

    Sn-doped octahedronal and tetrakaidecahedronal In 2 O 3 particles were successfully synthesized by simple thermal evaporation of indium grains using SnO as dopant. Structural characterization results demonstrated that the Sn-doped tetrakaidecahedronal In 2 O 3 particle had additional six {001} crystal surfaces compared with the octahedronal one. The luminous properties of both samples were characterized by photoluminescence (PL) and cathodoluminescence (CL) spectroscopy. A broad visible luminous emission around 570 nm was observed. Studies revealed that the emission consisted of three peaks of 511 nm, 564 nm, and 622 nm, which were attributed to radioactive recombination centers such as single ionized oxygen vacancy, indium interstitial, and antisite oxygen, respectively. We believe that the Sn donor level plays an important role in the visible luminous emission. - Graphical abstract: With more oxygen vacancies and tin doping. ITO particles can exhibit a better CL performance. Sn donor level near the conduction band edge plays an important role in luminous emission in wide visible range. Highlights: ► Polyhedral ITO particles synthesized by thermal evaporation using SnO as dopant. ► Broad visible luminous emission around 570 nm. ► Sn donor level plays an important role in the visible emission. ► ITO particles with more oxygen vacancies have better CL performance in visible range.

  12. Structural Analysis of Polyhedral Oligomeric Silsesquioxane Coated SiC Nanoparticles and Their Applications in Thermoset Polymers

    Directory of Open Access Journals (Sweden)

    Md. Reza-E-Rabby

    2015-01-01

    Full Text Available The SiC nanoparticles (NPs were sonochemically coated with OctaIsobutyl (OI polyhedral oligomeric silsesquioxane (POSS to create a compatible interface between particle and thermoset polymer. X-ray photoelectron spectroscopy (XPS, Fourier transform infrared spectroscopy (FTIR, and X-ray diffraction (XRD techniques were used to analyze the structure of OI-POSS coated SiC nanoparticles. These results revealed the formation of a covalent bonding between SiC and OI-POSS. The transmission electron microscopy (TEM analysis of OI-POSS coated SiC nanoparticles has also shown the indication of attachment between these two nanoparticles. The OI-POSS coated SiC nanoparticles were further reinforced into a thermoset resin system in order to evaluate mechanical and thermal properties of nanocomposites. The flexural strength, modulus, and glass transition temperature were found to be enhanced while SiC and OI-POSS coated SiC were infused into epoxy system compared to those properties of neat epoxy resin.

  13. Procedimiento de corte en cuerpos sólidos poliédricos // Section procedure in solid polyhedral bodies.

    Directory of Open Access Journals (Sweden)

    A. Miguel Iznaga Benítez

    2000-10-01

    Full Text Available El conocimiento de la estructura de datos de los modelos geométricos ha posibilitado el desarrollo de algoritmos parasolucionar problemas complejos. Estos algoritmos han facilitado a su vez, la automatización en las oficinas de diseño através de los medios computacionales.Por tal motivo, se presenta el desarrollo de un algoritmo para la obtención de cortes y secciones en cuerpos geométricospoliédricos, se plantean las etapas fundamentales del algoritmo y a través de un ejercicio se ejemplifica el mismo.Este algoritmo puede ser utilizado en la creación de software que ayuden al proceso docente.Palabras claves: enseñanza, gráfica, separación de sólidos, geometría, dibujo, algoritmo, CAD._________________________________________________________________________Abstract:The knowledge of data structure in geometric models has facilitated the development of algorithms to solve complexproblems. These algorithms have facilitated in turn, the automation in the design by computational means. For such reason,is presented the development of an algorithm for the obtaining of sections in polyhedral geometric bodies, the fundamentalstages of the algorithm are stated and illustrated using an example.This algorithm can be use in the software creation that will help to the educational processKey words: section, separation of solids, algorithm, geometric modeling, graphic, CAD. teaching.

  14. Unusual Emission of Polystyrene-Based Alternating Copolymers Incorporating Aminobutyl Maleimide Fluorophore-Containing Polyhedral Oligomeric Silsesquioxane Nanoparticles

    Directory of Open Access Journals (Sweden)

    Mohamed Gamal Mohamed

    2017-03-01

    Full Text Available In this study, we synthesized an unusual 2-aminobutyl maleimide isobutyl polyhedral oligomeric silsesquioxane (MIPOSS-NHBu monomer lacking conventional fluorescent groups. We then prepared poly(styrene-alt-2-aminobutyl maleimide isobutyl POSS [poly(S-alt-MIPOSS-NHBu] and poly(4-acetoxystyrene-alt-2-aminobutyl maleimide isobutyl POSS [poly(AS-alt-MIPOSS-NHBu] copolymers through facile free radical copolymerizations using azobisisobutyronitrile as the initiator and tetrahydrofuran as the solvent. A poly(4-hydroxystyrene-alt-2-aminobutyl maleimide isobutyl POSS [poly(HS-alt-MIPOSS-NHBu] copolymer was prepared through acetoxyl hydrazinolysis of poly(AS-alt-MIPOSS-NHBu. We employed 1H, 13C, and 29Si nuclear magnetic resonance spectroscopy; Fourier transform infrared spectroscopy; differential scanning calorimetry; and photoluminescence spectroscopy to investigate the structures and the thermal and optical properties of the monomers and novel POSS-containing alternating copolymers. Intramolecular hydrogen bonding between the amino and dihydrofuran-2,5-dione group and clustering of the locked C=O groups from the POSS nanoparticles in the MIPOSS-NHBu units restricted the intramolecular motion of the polymer chain, causing it to exhibit strong light emission. As a result, the MIPOSS-NHBu monomer and the poly(AS-alt-MIPOSS-NHBu copolymer both have potential applicability in the detection of metal ions with good selectivity.

  15. Shape-controlled synthesis of Pt-Pd core-shell nanoparticles exhibiting polyhedral morphologies by modified polyol method

    International Nuclear Information System (INIS)

    Long, Nguyen Viet; Asaka, Toru; Matsubara, Takashi; Nogami, Masayuki

    2011-01-01

    Pt-Pd core-shell nanoparticles were synthesized by a simple synthetic method. First, Pt nanoparticles were synthesized in a controlled manner via the reduction of chloroplantinic acid hexahydrate in ethylene glycol (EG) at 160 deg. C in the presence of silver nitrate and the stabilization of polyvinylpyrrolidon. AgNO 3 used acts as a structure-modifying agent to the morphology of the Pt nanoparticles. These Pt nanoparticles function as the seeds for the successive reduction of sodium tetrachloropalladate (II) hydrate in EG under stirring for 15 min at 160 deg. C in order to synthesize Pt-Pd core-shell nanoparticles. To characterize the as-prepared Pt-Pd nanoparticles, transmission electron microscopy (TEM) and high-resolution TEM are used. The high-resolution elemental mappings were carried out using the combination of scanning TEM and X-ray energy-dispersive spectroscopy. The results also demonstrate the homogeneous nucleation and growth of the Pd metal shell on the definite Pt core. The synthesized Pt-Pd core-shell nanoparticles exhibit a sharp and polyhedral morphology. The epitaxial growth of the controlled Pd shells on the Pt cores via a polyol method was observed. It is suggested that Frank-van der Merwe and Stranski-Krastanov growth modes coexisted in the nucleation and growth of Pt-Pd core-shell nanoparticles.

  16. Fouling behaviors of polybenzimidazole (PBI)-polyhedral oligomeric silsesquioxane (POSS)/polyacrylonitrile (PAN) hollow fiber membranes for engineering osmosis processes

    KAUST Repository

    Chen, Sicong

    2014-02-01

    This paper investigated the individual effects of reverse salt flux and permeate flux on fouling behaviors of as-spun and annealed polybenzimidazole (PBI)-polyhedral oligomeric silsesquioxane (POSS)/polyacrylonitrile (PAN) hollow fiber membranes under forward osmosis (FO) and pressure retarded osmosis (PRO) processes. Two types of membrane fouling had been studied; namely, inorganic fouling (CaSO4·2H2O gypsum scaling) during FO operations and organic fouling (sodium alginate fouling) during PRO operations. It is found that gypsum scaling on the membrane surface may be inhibited and even eliminated with an increase in reverse MgCl2 flux due to competitive formations of MgSO4° and CaSO4·2H2O. In contrast, the increase of reverse NaCl flux exhibits a slight enhancement on alginate fouling in both FO and PRO processes. Comparing to the reverse salt flux, the permeate flux always plays a dominant role in fouling. Therefore, lesser fouling has been observed on the membrane surface under the pressurized PRO process than FO process because the reduced initial flux mitigates the fouling phenomena more significantly than the enhancement caused by an increase in reverse NaCl flux. © 2013 Elsevier B.V.

  17. Polyhedral shape model for terrain correction of gravity and gravity gradient data based on an adaptive mesh

    Science.gov (United States)

    Guo, Zhikui; Chen, Chao; Tao, Chunhui

    2016-04-01

    Since 2007, there are four China Da yang cruises (CDCs), which have been carried out to investigate polymetallic sulfides in the southwest Indian ridge (SWIR) and have acquired both gravity data and bathymetry data on the corresponding survey lines(Tao et al., 2014). Sandwell et al. (2014) published a new global marine gravity model including the free air gravity data and its first order vertical gradient (Vzz). Gravity data and its gradient can be used to extract unknown density structure information(e.g. crust thickness) under surface of the earth, but they contain all the mass effect under the observation point. Therefore, how to get accurate gravity and its gradient effect of the existing density structure (e.g. terrain) has been a key issue. Using the bathymetry data or ETOPO1 (http://www.ngdc.noaa.gov/mgg/global/global.html) model at a full resolution to calculate the terrain effect could spend too much computation time. We expect to develop an effective method that takes less time but can still yield the desired accuracy. In this study, a constant-density polyhedral model is used to calculate the gravity field and its vertical gradient, which is based on the work of Tsoulis (2012). According to gravity field attenuation with distance and variance of bathymetry, we present an adaptive mesh refinement and coarsening strategies to merge both global topography data and multi-beam bathymetry data. The local coarsening or size of mesh depends on user-defined accuracy and terrain variation (Davis et al., 2011). To depict terrain better, triangular surface element and rectangular surface element are used in fine and coarse mesh respectively. This strategy can also be applied to spherical coordinate in large region and global scale. Finally, we applied this method to calculate Bouguer gravity anomaly (BGA), mantle Bouguer anomaly(MBA) and their vertical gradient in SWIR. Further, we compared the result with previous results in the literature. Both synthetic model

  18. Interaction of polyhedral oligomeric silsesquioxanes and dipalmitoylphosphatidylcholine at the air/water interface: Thermodynamic and rheological study.

    Science.gov (United States)

    Skrzypiec, M; Georgiev, G As; Rojewska, M; Prochaska, K

    2017-10-01

    Polyhedral oligomeric silsesquioxanes (POSS) derivatives containing open silsesquioxane cage bear great potential for biomedical applications and therefore their lateral interactions with phospholipids, major biomembranes and drug vehicles constituent, should be studied in detail. That is why the properties of surface films by two POSS-derivatives, POSS-polyethylene glycol (POSS-PEG) and POSS-perfluoroalkyl (POSS-OFP), pure and in presence of 1,2-dipalmitoyl-sn-glycerol-3-phosphocholine (DPPC) were studied using Langmuir surface balance. Side chains of opposite nature (PEG is hydrophilic; OFP is hydrophobic) were selected, so that to evaluate their impact on polymers' surface properties. Two types of measurements were performed: (i) the miscibility of POSS-derivatives with DPPC was evaluated via thermodynamic analysis of the surface pressure (π)-area (A) isotherms and (ii) the dilatational rheology of selected POSS-polymer containing films was studied by the stress relaxation method. Fourier transformation analysis of the relaxation transients allows to access films' dynamic interfacial properties in broad frequency range (10 -5 -1Hz). Film morphology was monitored with Brewster Angle Microscopy. PEG moiety enabled POSS-PEG to stably incorporate in DPPC films, modifying their equilibrium and dynamic properties. In contrast OFP chains excluded from interactions with other molecules and diminished PEG-OFP amphiphilicity. Therefore at high packing densities (π≥25mN/m) PEG-OFP was expelled from the air/water interface in DPPC/PEG-OFP mixtures, and the binary films equilibrium and dynamic surface properties were determined primarily by DPPC. Thus the choice of POSS side chains can play key role in biomedical applications depending on whether strong or weak incorporation of POSS-polymers in lipid environment is aimed for. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Porous polyhedral and fusiform Co3O4 anode materials for high-performance lithium-ion batteries

    International Nuclear Information System (INIS)

    Huang, Guoyong; Xu, Shengming; Lu, Shasha; Li, Linyan; Sun, Hongyu

    2014-01-01

    Graphical abstract: - Abstract: Co 3 O 4 is commonly used as a potential anode material for Li-ion batteries (LIBs). In this study, novel porous polyhedral and fusiform Co 3 O 4 powders have been synthesized successfully through the hydrothermal method with different solvents followed by thermal treatment. It is shown that both of the polyhedrons (1.0-3.0 μm in side length) and the spindles (2.0-5.0 μm in length, 0.5-2.0 μm in width) are composed of similar irregular nanoparticles (20-200 nm in diameter, 20-40 nm in thickness) bonded to each other. Evaluated by electrochemical measurements, both of them have high initial discharge capacities (1374.4 mAhg −1 and 1326.3 mAhg −1 ) and enhanced cycling stabilities at the low rate (the capacity retention ratios at 0.1 C after 70 cycles are 91.6% and 92.2%, respectively). However, the rate capability of the spindles (93.8%, 90.1% and 98.9% of the second discharge capacities after 70 cycles at 0.5 C, 1 C and 2 C, respectively) is better than the polyhedrons’ (only 76.2%, 42.1% and 59.3% under the same conditions). Remarkable, the unique morphologies and special structures may be extended to synthesize other similar transition metal oxides (NiO, Fe 3 O 4 , et al.) as high performance anodes for LIBs

  20. Fabrication of boronate-decorated polyhedral oligomeric silsesquioxanes grafted cotton fiber for the selective enrichment of nucleosides in urine.

    Science.gov (United States)

    Gao, Li; Wei, Yinmao

    2016-06-01

    Various cotton fiber based boronate-affinity adsorbents are recently developed for the sample pretreatment of cis-diol-containing biomolecules, but most do not have efficient capacity due to limited binding sites on the surface of cotton fibers. To increase the density of boronate groups on the surface of cotton fiber, polyhedral oligomeric silsesquioxanes were used to modify cotton fiber to provide plentiful reactive sites for subsequent functionalization with 4-formylphenylboronic acid. The new adsorbent showed special recognition ability towards cis-diols and high adsorption capacity (175 μg/g for catechol, 250 μg/g for dopamine, 400 μg/g for adenosine). The in-pipette-tip solid-phase extraction was investigated under different conditions, including pH and ionic strength of solution, adsorbent amount, pipette times, washing solvent, and elution solvent. The in-pipette-tip solid-phase extraction coupled with high-performance liquid chromatography was used to analyze four nucleosides in urine samples. Under the optimal extraction conditions, the detection limits were determined to be between 5.1 and 6.1 ng/mL (S/N  =  3), and the linearity ranged from 20 to 500 ng/mL for these analytes. The accuracy of the analytical method was examined by studying the relative recoveries of analytes in real urine samples with recoveries varying from 83 to 104% (RSD = 3.9-10.2%, n = 3). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Gravity Gradient Tensor of Arbitrary 3D Polyhedral Bodies with up to Third-Order Polynomial Horizontal and Vertical Mass Contrasts

    Science.gov (United States)

    Ren, Zhengyong; Zhong, Yiyuan; Chen, Chaojian; Tang, Jingtian; Kalscheuer, Thomas; Maurer, Hansruedi; Li, Yang

    2018-03-01

    During the last 20 years, geophysicists have developed great interest in using gravity gradient tensor signals to study bodies of anomalous density in the Earth. Deriving exact solutions of the gravity gradient tensor signals has become a dominating task in exploration geophysics or geodetic fields. In this study, we developed a compact and simple framework to derive exact solutions of gravity gradient tensor measurements for polyhedral bodies, in which the density contrast is represented by a general polynomial function. The polynomial mass contrast can continuously vary in both horizontal and vertical directions. In our framework, the original three-dimensional volume integral of gravity gradient tensor signals is transformed into a set of one-dimensional line integrals along edges of the polyhedral body by sequentially invoking the volume and surface gradient (divergence) theorems. In terms of an orthogonal local coordinate system defined on these edges, exact solutions are derived for these line integrals. We successfully derived a set of unified exact solutions of gravity gradient tensors for constant, linear, quadratic and cubic polynomial orders. The exact solutions for constant and linear cases cover all previously published vertex-type exact solutions of the gravity gradient tensor for a polygonal body, though the associated algorithms may differ in numerical stability. In addition, to our best knowledge, it is the first time that exact solutions of gravity gradient tensor signals are derived for a polyhedral body with a polynomial mass contrast of order higher than one (that is quadratic and cubic orders). Three synthetic models (a prismatic body with depth-dependent density contrasts, an irregular polyhedron with linear density contrast and a tetrahedral body with horizontally and vertically varying density contrasts) are used to verify the correctness and the efficiency of our newly developed closed-form solutions. Excellent agreements are obtained

  2. Metal-Organic Frameworks Triggered High-Efficiency Li storage in Fe-Based Polyhedral Nanorods for Lithium-ion Batteries

    International Nuclear Information System (INIS)

    Shen, Lisha; Song, Huawei; Wang, Chengxin

    2017-01-01

    Recently, metal organic framework (MOF) nanostructures have been frequently reported in the field of energy storage, specifically for Li-ion or Na-ion storage. By inter-separating the active sites of metal cluster and organic ligands, MOF nanostructures are exceptionally promising for realizing fast ion exchange and high-efficiency transportation and addressing the intricate issues that the energy-intensive Li-ion batteries have faced over many years. The related ion-storage mechanism remains to be explored. Is the traditional redox reaction mechanism operative for these nanostructure, as it is for transitional metal oxide? Herein, taking [Fe_3O(BDC)_3(H_2O)_2(NO_3)]n (Fe-MIL-88B) as an example, an Fe-based metal organic polyhedral nanorods of MIL–88 B structure was designed as an anode for Li-ion storage. When tested at 60 mA g"−"1, the nanoporous Fe-MIL–88 B polyhedral nanorods retained a reversible capacity of 744.5 mAh g"−"1 for more than 400 cycles. Ex situ characterizations of the post-cycled electrodes revealed that both the transition metal ions and the organic ligands contributed to the high reversible specific capacity. The polyhedral nanorods electrodes held the metal-organic skeleton together throughout the battery operation, although in a somewhat different manner than the pristine ones. This further substantiated that some MOF nanostructures are more appropriate than others for stable lithiation/delithiation processes. State-of-the-art CR2032 full cells showed that a high capacity of 86.8 mAh g"−"1 that was retained after 100 cycles (herein, the capacity for the full cell was calculated based on both the weight of the anode and the cathode, and the charge-discharge rate was 0.25C), when commercial LiFePO_4 powders were used as the cathode.

  3. Ultrafast preparation of a polyhedral oligomeric silsesquioxane-based ionic liquid hybrid monolith via photoinitiated polymerization, and its application to capillary electrochromatography of aromatic compounds.

    Science.gov (United States)

    Zhang, Bingyu; Lei, Xiaoyun; Deng, Lijun; Li, Minsheng; Yao, Sicong; Wu, Xiaoping

    2018-06-06

    An ionic liquid hybrid monolithic capillary column was prepared within 7 min via photoinitiated free-radical polymerization of an ionic liquid monomer (1-butyl-3-vinylimidazolium-bis[(trifluoromethyl)sulfonyl]imide); VBIMNTF 2 ) and a methacryl substituted polyhedral oligomeric silsesquioxane (POSS-MA) acting as a cross-linker. The effects of composition of prepolymerization solution and initiation time on the porous structure and electroosmotic flow (EOF) of monolithic column were investigated. The hybrid monolith was characterized by scanning electron microscopy and FTIR. Owing to the introduction of a rigid nanosized POSS silica core and ionic liquids with multiple interaction sites, the monolithic column has a well-defined 3D skeleton morphology, good mechanical stability, and a stable anodic electroosmotic flow. The hybrid monolithic stationary phase was applied to the capillary electrochromatographic separation of various alkylbenzenes, phenols, anilines and polycyclic aromatic hydrocarbons (PAHs). The column efficiency is highest (98,000 plates/m) in case of alkylbenzenes. Mixed-mode retention mechanisms including hydrophobic interactions, π-π stacking, electrostatic interaction and electrophoretic mobility can be observed. This indicates the potential of this material in terms of efficient separation of analytes of different structural type. Graphical Abstract Preparation of a mixed-mode ionic liquid hybrid monolithic column via photoinitiated polymerization of methacryl substituted polyhedral oligomeric silsesquioxane (POSS-MA) and 1-butyl-3-vinylimidazolium-bis[(trifluoromethyl)sulfonyl]imide (VBIMNTF 2 ) ionic liquid for use in capillary electrochromatography.

  4. An Improved Computing Method for 3D Mechanical Connectivity Rates Based on a Polyhedral Simulation Model of Discrete Fracture Network in Rock Masses

    Science.gov (United States)

    Li, Mingchao; Han, Shuai; Zhou, Sibao; Zhang, Ye

    2018-06-01

    Based on a 3D model of a discrete fracture network (DFN) in a rock mass, an improved projective method for computing the 3D mechanical connectivity rate was proposed. The Monte Carlo simulation method, 2D Poisson process and 3D geological modeling technique were integrated into a polyhedral DFN modeling approach, and the simulation results were verified by numerical tests and graphical inspection. Next, the traditional projective approach for calculating the rock mass connectivity rate was improved using the 3D DFN models by (1) using the polyhedral model to replace the Baecher disk model; (2) taking the real cross section of the rock mass, rather than a part of the cross section, as the test plane; and (3) dynamically searching the joint connectivity rates using different dip directions and dip angles at different elevations to calculate the maximum, minimum and average values of the joint connectivity at each elevation. In a case study, the improved method and traditional method were used to compute the mechanical connectivity rate of the slope of a dam abutment. The results of the two methods were further used to compute the cohesive force of the rock masses. Finally, a comparison showed that the cohesive force derived from the traditional method had a higher error, whereas the cohesive force derived from the improved method was consistent with the suggested values. According to the comparison, the effectivity and validity of the improved method were verified indirectly.

  5. The Influence of Ammonium Sulphate added to the Spray Solution of Calcium Carbonate-Containing Glyphosate and Nicosulfuron on Barnyardgrass and Velvetleaf Control

    Directory of Open Access Journals (Sweden)

    kamal hajmohamadnia

    2016-09-01

    the above, basic experiments carried out as the influence of adding ammonium sulphate to spray solution of calcium carbonate-containing glyphosate and nicosulfuron on barnyardgrass and velvetleaf control. Materials and Methods: Four experiments were performed as factorial arrangement of treatments 6×2 based on completely randomized design with six replications (+six control pots for each weed species at Research Greenhouse of the Ferdowsi University of Mashhad in 2010. Factors were included different concentrations of calcium carbonate (CaCO3; Merck, Germany of water in spray tank at six levels 0, 100, 200, 300, 400 and 500 ppm in deionized water (w/v in combination with 0 (-AMS or 3 kg/ha (+AMS ammonium sulphate (Merck, Germany as adjuster the hardness. Glyphosate (Roundup® and nicosulfuron (Cruse® herbicides were applied post emergent at 385 and 550 mL ha-1 as commercial products (158 and 22 g ai ha-1; based on ED50 outcome preliminary test (12, recpectively at the 3-4 leaf stage of the weeds (barnyardgrass and velvetleaf in a spray volume of 250 L ha-1. Four weeks after treatment, survival, plant height, leaf area, and shoot dry weight of weeds (% control were calculated. The data of experiment were subjected to ANOVA using MSTATC software. Means of the treatments were separated using Duncan’s Multiple Range Test at α = 0.05. Also, based on the distribution of data, regression analysis was used as linear, two, and third-degree polynomial by EXCEL 2007. Results and Discussion: The results showed a significant reduction (p≤0.01 for survival, plant height, leaf area, and shoot dry weight of weeds (% control with addition of calcium carbonate in spray tank of glyphosate and nicosulfuron herbicides, but this effect was not similar. So that, 500 ppm Ca2+ to the nicosulfuron spray solution compared with its absence increased barnyardgrass and velvetleaf biomass (% control 16 and 50%, respectively. The corresponding values for glyphosate were 78 and 51

  6. Forward calculation of gravity and its gradient using polyhedral representation of density interfaces: an application of spherical or ellipsoidal topographic gravity effect

    Science.gov (United States)

    Zhang, Yi; Chen, Chao

    2018-02-01

    A density interface modeling method using polyhedral representation is proposed to construct 3-D models of spherical or ellipsoidal interfaces such as the terrain surface of the Earth and applied to forward calculating gravity effect of topography and bathymetry for regional or global applications. The method utilizes triangular facets to fit undulation of the target interface. The model maintains almost equal accuracy and resolution at different locations of the globe. Meanwhile, the exterior gravitational field of the model, including its gravity and gravity gradients, is obtained simultaneously using analytic solutions. Additionally, considering the effect of distant relief, an adaptive computation process is introduced to reduce the computational burden. Then features and errors of the method are analyzed. Subsequently, the method is applied to an area for the ellipsoidal Bouguer shell correction as an example and the result is compared to existing methods, which shows our method provides high accuracy and great computational efficiency. Suggestions for further developments and conclusions are drawn at last.

  7. Facile hydrothermal synthesis of polyhedral Fe3O4 nanocrystals, influencing factors and application in the electrochemical detection of H2O2

    International Nuclear Information System (INIS)

    Yuan Kefeng; Ni Yonghong; Zhang Li

    2012-01-01

    Highlights: ► Fe 3 O 4 polyhedra had been successfully synthesized by a facile hydrothermal technology. ► The as-obtained product exhibited the room-temperature ferrimagnetic property. ► The final product could be prepared into an electrochemical sensor for the detection of H 2 O 2 . - Abstract: Polyhedral Fe 3 O 4 nanocrystals have been successfully synthesized by a facile hydrothermal technique, employing FeSO 4 ·7H 2 O, N 2 H 4 and NH 3 ·H 2 O as the reactants without the assistance of any surfactant. The phase of the as-obtained Fe 3 O 4 was characterized by X-ray powder diffraction (XRD) and further proved by Rietveld refinement of XRD data. Energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM) were used for the composition and morphology analyses of the final product. Some factors influencing the formation of polyhedral Fe 3 O 4 nanocrystals were systematically investigated, including the reaction temperature and time, and the original volume ratio of NH 3 ·H 2 O/N 2 H 4 ·H 2 O. It was found that the as-prepared Fe 3 O 4 polyhedra exhibited a good electrochemical property in 0.1 M phosphate buffer solution (PBS) with pH 7.0 and could be prepared into an electrochemical sensor for the detection of H 2 O 2 . The linear response range of the sensor was 10.0 × 10 −6 to 140.0 × 10 −6 M and a sensitivity was 11.05 μA/mM. Furthermore, the room-temperature magnetic property of the product was also investigated.

  8. Surface modification of a polyhedral oligomeric silsesquioxane poly(carbonate-urea) urethane (POSS-PCU) nanocomposite polymer as a stent coating for enhanced capture of endothelial progenitor cells.

    Science.gov (United States)

    Tan, Aaron; Farhatnia, Yasmin; Goh, Debbie; G, Natasha; de Mel, Achala; Lim, Jing; Teoh, Swee-Hin; Malkovskiy, Andrey V; Chawla, Reema; Rajadas, Jayakumar; Cousins, Brian G; Hamblin, Michael R; Alavijeh, Mohammad S; Seifalian, Alexander M

    2013-12-01

    An unmet need exists for the development of next-generation multifunctional nanocomposite materials for biomedical applications, particularly in the field of cardiovascular regenerative biology. Herein, we describe the preparation and characterization of a novel polyhedral oligomeric silsesquioxane poly(carbonate-urea) urethane (POSS-PCU) nanocomposite polymer with covalently attached anti-CD34 antibodies to enhance capture of circulating endothelial progenitor cells (EPC). This material may be used as a new coating for bare metal stents used after balloon angioplasty to improve re-endothelialization. Biophysical characterization techniques were used to assess POSS-PCU and its subsequent functionalization with anti-CD34 antibodies. Results indicated successful covalent attachment of anti-CD34 antibodies on the surface of POSS-PCU leading to an increased propensity for EPC capture, whilst maintaining in vitro biocompatibility and hemocompatibility. POSS-PCU has already been used in 3 first-in-man studies, as a bypass graft, lacrimal duct and a bioartificial trachea. We therefore postulate that its superior biocompatibility and unique biophysical properties would render it an ideal candidate for coating medical devices, with stents as a prime example. Taken together, anti-CD34 functionalized POSS-PCU could form the basis of a nano-inspired polymer platform for the next generation stent coatings.

  9. Preparation and characterization of polyhedral oligomer silsesquioxane nanocomposites incorporated in epoxy resin; Elaboracao e caracterizacao de nanocompositos de oligomero poliedrico de silsesquioxano incorporados na resina epoxidica

    Energy Technology Data Exchange (ETDEWEB)

    Longhi, Marielen; Zini, Lucas Pandolphi; Birriel, Eliena Jonko; Kunst, Sandra Raquel; Zattera, Ademir Jose, E-mail: marielen_longhi@hotmail.com [Universidade de Caxias do Sul (LPOL/UCS), RS (Brazil). Laboratorio de Polimeros; Pistor, Vinicius [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil)

    2015-07-01

    The incorporation of nanofiller in thermosetting like epoxy resin as has been studied in order to modify its properties. In this research, nanocomposites were obtained by incorporating 5% by weight of three polyhedral oligomeric silsesquioxane (POSS) with different number of functionalization: Glicidilisobutil-POSS, Triglicidilisobutil- POSS and Glicicil POSS in an epoxy matrix by sonification process. The nanocomposites were characterized by analysis of X-ray diffraction (DRX), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). The DRX analysis showed the characteristic peak of POSS and TEM images showed that there is a difference in the dispersion of nanocages for the difference in the number of epoxy groups on the POSS. The incorporation of Glicidilisobutil-POSS showed a significant increase in the glass transition temperature (Tg) value, and also that the most effective from the viewpoint of the dispersion, on the other hand, the Glycidyl-POSS had a greater influence on the thermal stability demonstrating that the dispersion medium is an important characteristic to define the most desirable properties. (author)

  10. Development of a polymeric ionic liquid coating for direct-immersion solid-phase microextraction using polyhedral oligomeric silsesquioxane as cross-linker.

    Science.gov (United States)

    Chen, Chunyan; Liang, Xiaotong; Wang, Jianping; Zou, Ying; Hu, Huiping; Cai, Qingyun; Yao, Shouzhuo

    2014-06-27

    A novel solid-phase microextraction (SPME) fiber was developed by chemical binding of a crosslinked polymeric ionic liquid (PIL) on the surface of an anodized Ti wire, and was applied in direct-immersion mode for the extraction of perfluorinated compounds (PFCs) from water samples coupled with high performance liquid chromatography-tandem mass spectrometry analysis. The PIL coatings were synthesized by using 1-vinyl-3-hexylimidazolium hexafluorophosphate as monomer and methylacryloyl-substituted polyhedral oligomeric silsesquioxane (POSS) as cross-linker via free radical reaction. The proposed fiber coating exhibited high mechanical stability due to the chemical bonding between the coating and the Ti wire surface. The integration of POSS reagent enhanced the organic solvent resistance of the coating. The parameters affecting the extraction performance of the fiber coating including extraction time, pH of solution, ionic strength and desorption conditions were optimized. The developed PIL-POSS fiber showed good linearity (R<0.998) between 0.1 and 50ngmL(-1) with method detection limits ranging from 0.005 to 0.08ngmL(-1) depending on the analyte, and with relative standard deviation for single-fiber repeatability and fiber-to-fiber reproducibility less than 8.6% and 9.5%, respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Contribution to the reconstruction of scenes made of cylindrical and polyhedral objects from sequences of images obtained by a moving camera

    International Nuclear Information System (INIS)

    Viala, Marc

    1992-01-01

    Environment perception is an important process which enables a robot to perform actions in an unknown scene. Although many sensors exist to 'give sight', the camera seems to play a leading part. This thesis deals with the reconstruction of scenes made of cylindrical and polyhedral objects from sequences of images provided by a moving camera. Two methods are presented. Both are based on the evolution of apparent contours of objects in a sequence. The first approach has been developed considering that camera motion is known. Despite the good results obtained by this method, the specific conditions it requires makes its use limited. In order to avoid an accurate evaluation of camera motion, we introduce another method allowing, at the same time, to estimate the object parameters and camera positions. In this approach, only is needed a 'poor' knowledge of camera displacements supplied by the control system of the robotic platform, in which the camera is embedded. An optimal integration of a priori information, as well as the dynamic feature of the state model to estimate, lead us to use the Kalman filter. Experiments conducted with synthetic and real images proved the reliability of these methods. Camera calibration set-up is also suggested to achieve the most accurate scene models resulting from reconstruction processes. (author) [fr

  12. Development of the optical sensor for discriminating isomers of fatty acids based on emissive network polymers composed of polyhedral oligomeric silsesquioxane.

    Science.gov (United States)

    Narikiyo, Hayato; Kakuta, Takahiro; Matsuyama, Hiroki; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki

    2017-07-01

    It was shown that water-soluble network polymers composed of polyhedral oligomeric silsesquioxane (POSS) had hydrophobic spaces inside the network because of strong hydrophobicity of the cubic silica cage. In this study, the water-soluble POSS network polymers connected with triphenylamine derivatives (TPA-POSS) were synthesized, and their functions as a sensor for discriminating the geometric isomers of fatty acids were investigated. Accordingly, in the photoluminescence spectra, different time-courses of intensity and peak wavelengths of the emission bands were detected from the TPA-POSS-containing solution in the presence of cis- or trans-fatty acids during incubation. Furthermore, variable time-dependent changes were obtained by changing coexisting ratios between two geometric isomers. From the mechanistic investigation, it was implied that these changes could be originated from the difference in the degree of interaction between the POSS networks and each fatty acid. Our data could be applicable for constructing a sensing material for generation and proportion of trans-fatty acids in the oil. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Phenyl hepta cyclopentyl – polyhedral oligomeric silsesquioxane (ph,hcp-POSS/Polystyrene (PS nanocomposites: the influence of substituents in the phenyl group on the thermal stability

    Directory of Open Access Journals (Sweden)

    I. Blanco

    2012-12-01

    Full Text Available Some new Polystyrene (PS nanocomposites were prepared by using two Polyhedral Oligomeric Silsesquioxanes (POSSs, namely RR’7(SiO1.58 (where R = 4-methoxyphenyl or 2,4-difluorophenyl and R’ = cyclopentyl, as fillers, and their degradation was studied to investigate the effect of the electron-donor or electron-withdrawing character of the phenyl group substituents on thermal stability. Nanocomposites were synthesized by in situ polymerization of styrene in the presence of various concentrations of POSS. Proton nuclear magnetic resonance (1H NMR spectra indicated that the POSS content in the obtained nanocomposites was higher than that in reactant mixtures. Inherent viscosity (ηinh and glass transition temperature (Tg determinations indicated that the average molar mass of polymer in 4-methoxynanocomposites was the same than neat PS, while it was much lower in 2,4-difluoro derivatives. Degradations were carried out in both flowing nitrogen and static air atmospheres, in the scanning mode, at various heating rates, and temperature at 5% mass loss (T5% and the activation energy (Ea of degradation of various nanocomposites were determined. The values obtained for 4-methoxyderivatives were higher than unfilled PS thus indicating higher thermal stability. Conversely, the values found for 2,4-difluoro derivatives were lower, in some cases even than those of neat PS. The results were discussed and interpreted.

  14. CARBON-CONTAINING COMPOSITES BASED ON METALS

    Directory of Open Access Journals (Sweden)

    VAGANOV V. E.

    2015-10-01

    Full Text Available Problem statement Among the developed technologies metal-composites production,a special place takes powder metallurgy, having fundamental differences from conventionally used foundry technologies. The main advantages of this technology are: the possibility of sensitive control, the structure and phase composition of the starting components, and ultimately the possibility of obtaining of bulk material in nanostructured state with a minimum of processing steps. The potential reinforcers metals include micro and nano-sized oxides, carbides, nitrides, whiskers. The special position is occupied with carbon nanostructures (CNS: С60 fullerenes, single-layer and multi-layer nanotubes, onions (spherical "bulbs", nano-diamonds and graphite,their properties are being intensively studied in recent years. These objects have a high thermal and electrical conductivity values, superelasticity, and have a strength approximate to the theoretical value, which can provide an obtaining composite nanomaterial with a unique set of physical and mechanical properties. In creation of a metal matrix composite nanomaterials (CM, reinforced by various CNS, a special attention should be given to mechanical activation processes (MA already at the stage of preparation of the starting components affecting the structure, phase composition and properties of aluminum-matrix composites. Purpose. To investigate the influence of mechanical activation on the structure and phase composition of aluminum-matrix composites. Conclusion. The results of the study of the structure and phase composition of the initial and mechanically activated powders and bulk-modified metal-composites are shown, depending on the type and concentration of modifying varieties CNS, regimes of MA and parameters of compaction. The study is conducted of tribological properties of Al-CNS OF nanostructured materials.

  15. Iron in carbonate containing AFm phases

    International Nuclear Information System (INIS)

    Dilnesa, B.Z.; Lothenbach, B.; Le Saout, G.; Renaudin, G.; Mesbah, A.; Filinchuk, Y.; Wichser, A.; Wieland, E.

    2011-01-01

    One of the AFm phases in hydrated Portland cement is Ca 3 (Al x Fe 2 - x )O 6 .CaCO 3 .nH 2 O. It is based on hexagonal and platey structural elements and the interlayer structure incorporates CO 3 2- . The solid phases were experimentally synthesized and characterized by different techniques including X-ray techniques (XRD and EXAFS) and vibrational spectroscopy techniques (IR, Raman). Fe-monocarbonate (Fe-Mc) and Al-monocarbonate (Al-Mc) were found to be stable up to 50 o C, while Fe-hemicarbonate (Fe-Hc) was unstable with respect to Fe-Mc in the presence of calcite. Fe-Mc has a rhombohedral R3-barc symmetry which is different from the triclinic of the Al analogue. Both XRD and thermodynamic modelling of the liquid compositions indicated that Al-Mc and the Fe-Mc phases do not form solid solution. The solubility products were calculated experimentally at 20 o C and 50 o C. Under standards condition the solubility products and other thermodynamic parameters were estimated using temperature-solubility product extrapolation and found to be logK S0 (Fe-Mc) = -34.59 ± 0.50, logK S0 (Fe-Hc) = -30.83 ± 0.50 and logK S0 (Al-Mc) = -31.32 ± 0.50.

  16. Standard test method for the analysis of refrigerant 114, plus other carbon-containing and fluorine-containing compounds in uranium hexafluoride via fourier-transform infrared (FTIR) spectroscopy

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2004-01-01

    1.1 This test method covers determining the concentrations of refrigerant-114, other carbon-containing and fluorine-containing compounds, hydrocarbons, and partially or completely substituted halohydrocarbons that may be impurities in uranium hexafluoride. The two options are outlined for this test method. They are designated as Part A and Part B. 1.1.1 To provide instructions for performing Fourier-Transform Infrared (FTIR) spectroscopic analysis for the possible presence of Refrigerant-114 impurity in a gaseous sample of uranium hexafluoride, collected in a "2S" container or equivalent at room temperature. The all gas procedure applies to the analysis of possible Refrigerant-114 impurity in uranium hexafluoride, and to the gas manifold system used for FTIR applications. The pressure and temperatures must be controlled to maintain a gaseous sample. The concentration units are in mole percent. This is Part A. 1.2 Part B involves a high pressure liquid sample of uranium hexafluoride. This method can be appli...

  17. Skeleton polyhedral rearrangements of 8-alkyl-7,9-dicarba-nido-undecaborate(-1) anion to 11-alkyl-2,7-dicarba-nido-undecaborane(13) and to 9-alkyl-7,8-dicarba-nido-undecaborate(-1) anion. Molecular structure of 2,7-Me2-11-PhCH2-2,7-C2B9H10

    International Nuclear Information System (INIS)

    Zakharkin, K.I.; Zhigareva, G.G.; Antonovich, V.A.; Yanovskij, A.I.; Struchkov, Yu.T.

    1986-01-01

    Using the methods of 1 H and 11 B NMR-spectroscopy and X-ray diffraction analysis skeleton polyhedral rearrangements of carboranes are studied. During protonation of anion 8-R-7, 9-R' 2 -7, 9-C 2 B 9 H 9 - the skeleton polyhedral rearrangement in the series of nido-carboranes, resulting in 2,7-R' 2 -11-R-2, 7-C 2 B 9 H 10 (R=Me, PhCH 2 , R'=H, Me) is observed. The rearrangement is reversible. On the detachment of two protons from 2,7-Me 2 -11-PhCH 2 -2,7-C 2 B 9 H 10 and during subsequent protonation the skeleton polyhedral rearrangement with the formation of anion 9-PhCH 2 -7,8-Me 2 -7,8-C 2 B 9 H 9 - takes place

  18. Coating of Carbon Fiber with Polyhedral Oligomeric Silsesquioxane (POSS to Enhance Mechanical Properties and Durability of Carbon/Vinyl Ester Composites

    Directory of Open Access Journals (Sweden)

    Mujib Khan

    2011-09-01

    Full Text Available Our continuing quest to improve the performance of polymer composites under moist and saltwater environments has gained momentum in recent years with the reinforcement of inorganic nanoparticles into the polymer. The key to mitigate degradation of composites under such environments is to maintain the integrity of the fiber/matrix (F/M interface. In this study, the F/M interface of carbon/vinyl ester composites has been modified by coating the carbon fiber with polyhedral oligomeric silsesquioxane (POSS. POSS is a nanostructured inorganic-organic hybrid particle with a cubic structure having silicon atoms at the core and linked to oxygen atoms. The advantage of using POSS is that the silicon atoms can be linked to a substituent that can be almost any chemical group known in organic chemistry. Cubic silica cores are ‘hard particles’ and are about 0.53 nm in diameter. The peripheral organic unit is a sphere of about 1–3 nm in diameter. Further, cubic structure of POSS remains intact during the polymerization process and therefore with appropriate functional groups, if installed on the fiber surface, would provide a stable and strong F/M interface. Two POSS systems with two different functional groups; namely, octaisobutyl and trisilanolphenyl have been investigated. A set of chemical and mechanical procedures has been developed to coat carbon fibers with POSS, and to fabricate layered composites with vinyl ester resin. Interlaminar shear and low velocity impact tests have indicated around 17–38% improvement in mechanical properties with respect to control samples made without the POSS coating. Saltwater and hygrothermal tests at various environmental conditions have revealed that coating with POSS reduces water absorption by 20–30% and retains the composite properties.

  19. Electrospun poly(vinylidene fluoride) copolymer/octahydroxy-polyhedral oligomeric silsesquioxane nanofibrous mats as ionic liquid host: enhanced salt dissociation and its function in electrochromic device

    International Nuclear Information System (INIS)

    Zhou, Rui; Pramoda, Kumari Pallathadka; Liu, Wanshuang; Zhou, Dan; Ding, Guoqiang; He, Chaobin; Leong, Yew Wei; Lu, Xuehong

    2014-01-01

    Highlights: • The well dispersed POSS-OH promotes the dissociation of both LiClO 4 and BMIM + BF 4 − . • POSS-OH significantly increases the ionic conductivity and lithium transference number. • POSS-OH containing electrolyte improves the optical contrast of electrochromic device. - Abstract: Electrospun polymer nanofibrous mats loaded with ionic liquids (ILs) and lithium salts are promising non-volatile electrolytes owing to their high ionic conductivities. However, the large cations of ILs are difficult to diffuse into solid electrodes, whereas the lithium ions in ILs tend to form anionic complexes with the IL anions, reducing the number of free lithium ions. To address these issues, octa(3-hydroxy-3-methylbutyldimethylsiloxy) polyhedral oligomeric silsesquioxane (POSS-OH), which has large specific surface area and functionality number, is incorporated into electrospun poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-co-HFP) nanofibrous mats, and the mats are used to host LiClO 4 /1-butyl-3-methylimidazolium tetrafluoroborate (BMIM + BF 4 − ). It is found that POSS-OH can significantly increase both ionic conductivity and lithium transference number of the electrolytes owing to the Lewis acid-base interactions of POSS-OH with ClO 4 − and BF 4 − . The electrochromic device using the hybrid mat (with 5 wt% POSS-OH) loaded with LiClO 4 /BMIM + BF 4 − as the electrolyte shows significantly improved transmittance contrast and switching time, as a result of increased number of free lithium ions

  20. Effects of manganese doping on the structure evolution of small-sized boron clusters

    Science.gov (United States)

    Zhao, Lingquan; Qu, Xin; Wang, Yanchao; Lv, Jian; Zhang, Lijun; Hu, Ziyu; Gu, Guangrui; Ma, Yanming

    2017-07-01

    Atomic doping of clusters is known as an effective approach to stabilize or modify the structures and properties of resulting doped clusters. We herein report the effect of manganese (Mn) doping on the structure evolution of small-sized boron (B) clusters. The global minimum structures of both neutral and charged Mn doped B cluster \\text{MnB}nQ (n  =  10-20 and Q  =  0, ±1) have been proposed through extensive first-principles swarm-intelligence based structure searches. It is found that Mn doping has significantly modified the grow behaviors of B clusters, leading to two novel structural transitions from planar to tubular and then to cage-like B structures in both neutral and charged species. Half-sandwich-type structures are most favorable for small \\text{MnB}n-/0/+ (n  ⩽  13) clusters and gradually transform to Mn-centered double-ring tubular structures at \\text{MnB}16-/0/+ clusters with superior thermodynamic stabilities compared with their neighbors. Most strikingly, endohedral cages become the ground-state structures for larger \\text{MnB}n-/0/+ (n  ⩾  19) clusters, among which \\text{MnB}20+ adopts a highly symmetric structure with superior thermodynamic stability and a large HOMO-LUMO gap of 4.53 eV. The unique stability of the endohedral \\text{MnB}\\text{20}+ cage is attributed to the geometric fit and formation of 18-electron closed-shell configuration. The results significantly advance our understanding about the structure and bonding of B-based clusters and strongly suggest transition-metal doping as a viable route to synthesize intriguing B-based nanomaterials.

  1. Chemical Ligation: A Versatile Method for Nucleoside Modification with Boron Clusters

    Czech Academy of Sciences Publication Activity Database

    Wojtczak, B. A.; Andrysiak, A.; Grüner, Bohumír; Lesnikowski, Z. J.

    -, č. 14 (2008), s. 10675-10682 ISSN 0947-6539 R&D Projects: GA MŠk LC523 Grant - others:MSHE(PL) N405 051 32/3592; MSHE(PL) K152/H03/2007/10 Institutional research plan: CEZ:AV0Z40320502 Keywords : alkynes * azides * chemical ligation Subject RIV: CA - Inorganic Chemistry Impact factor: 5.454, year: 2008

  2. Tumor accumulation of {epsilon}-poly-lysines-based polyamines conjugated with boron clusters

    Energy Technology Data Exchange (ETDEWEB)

    Umano, Masayuki; Uechi, Kazuhiro; Uriuda, Takatoshi; Murayama, Sayuri; Azuma, Hideki [Department of Applied Chemistry and Bioengineering, Graduate School of Engineering, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 5588585 (Japan); Shinohara, Atsuko [Department of Epidemiology and Environmental Health, Juntendo University School of Medicine, 2-1-1 Hongo, Bunkyo-ku, Tokyo 1138421 (Japan); Liu, Young; Ono, Koji [Research Reactor Institute, Kyoto University, 2-1010 Asashiro-nishi, Kumatori 5900494 (Japan); Kirihata, Mitsunori [Department of Bioscience and Informatics, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Sakai 5998531 (Japan); Yanagie, Hironobu [Department of Nuclear Engineering and Management, Graduate School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 1138656 (Japan); Nagasaki, Takeshi, E-mail: nagasaki@bioa.eng.osaka-cu.ac.jp [Department of Applied Chemistry and Bioengineering, Graduate School of Engineering, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 5588585 (Japan)

    2011-12-15

    Boron Neutron Capture Therapy (BNCT) is one of the potent cancer radiotherapies using nuclear reaction between {sup 10}B atoms and the neutron. Whether BNCT will succeed or not depends on tumor selective delivery of {sup 10}B compounds. {epsilon}-Poly-L-lysine is a naturally occurring polyamine characterized by the peptide linkages between the carboxyl and {epsilon}-amino groups of L-lysine. Because of high safety {epsilon}-PLL is applied practically as a food additive due to its strong antimicrobial activity. In this study, we focus on a development of a novel polymeric delivery system for BNCT using biodegradable {epsilon}-PLL conjugated with {sup 10}B-containing clusters (BSH). This polymeric boron carrier will be expected to deliver safely and efficiently into tumor tissues based on Enhanced Permeability and Retention (EPR) effect.

  3. Medicinal utility of boron clusters. Receptor modulators bearing carborane as a hydrophobic pharmacophore

    International Nuclear Information System (INIS)

    Endo, Y.; Iijima, T.; Yaguchi, K.; Yoshimi, T.; Yamakoshi, Y.; Kawachi, E.; Kagechika, H.

    2000-01-01

    The hydrophobic character and spherical geometry of carboranes may allow their use as a hydrophobic pharmacophore in biologically active molecules. We report potent cellular nuclear receptor ligands with carborane such as retinoids and estrogens. These receptor ligands raise the possibility for therapeutic agents, and their membrane transport characteristics and concentration in cellular nucleus may provide potential use for BNCT. (author)

  4. Facile synthesis of a boronate affinity sorbent from mesoporous nanomagnetic polyhedral oligomeric silsesquioxanes composite and its application for enrichment of catecholamines in human urine

    Energy Technology Data Exchange (ETDEWEB)

    He, Haibo, E-mail: hbhe2006@shu.edu.cn [Department of Chemistry, Shanghai University, Shanghai 200444 (China); Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), Department of Chemistry, Wuhan University, Wuhan 430072 (China); Zhou, Ziqing; Dong, Chen; Wang, Xin [Department of Chemistry, Shanghai University, Shanghai 200444 (China); Yu, Qiong-wei [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), Department of Chemistry, Wuhan University, Wuhan 430072 (China); Lei, Yunyi; Luo, Liqiang [Department of Chemistry, Shanghai University, Shanghai 200444 (China); Feng, Yuqi [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), Department of Chemistry, Wuhan University, Wuhan 430072 (China)

    2016-11-09

    A boronate-decorated nanomagnetic organic-inorganic hybrid material was facilely synthesized by utilizing the nanomagnetic polyhedral oligomeric silsesquioxanes (POSS) composite (Fe{sub 3}O{sub 4}@POSS) as the base platform. A simple copolymerization occurred between 3-acrylamidophenylboronic acid (AAPBA) and the residual end vinyl groups supplied by the substrate. Here the special emphasis was placed on the octavinyl POSS, which not only acted as the building blocks for a hybrid architecture but also facilitated the process of grafting boronate groups onto the surface of POSS based nanomagnetic composite (Fe{sub 3}O{sub 4}@POSS). The successful immobilization of affinity ligand-AAPBA on the Fe{sub 3}O{sub 4}@POSS was confirmed by Fourier transform infrared (FT-IR), elemental analysis, inductively coupled plasma atomic emission spectrometer (ICP-AES), field emission scanning electron microscope. A magnetic solid-phase extraction (MSPE) for cis-diols enrichment was developed using the as-prepared Fe{sub 3}O{sub 4}@POSS-AAPBA material as an affinity sorbent and three catecholamines (CAs), namely noradrenaline, epinephrine and isoprenaline, as model analytes. Under the optimal extraction conditions, sensitive and simultaneous analysis of three CAs from the urine sample was achieved by high-performance liquid chromatography with UV detection (HPLC-UV). The limits of detection (LOD, S/N = 3) and the limits of quantitation (LOQ, S/N = 10) for the target analytes were 0.81–1.32 ng mL{sup −1} and 2.70–4.40 ng mL{sup −1}, respectively. Also good recoveries (85.5–101.7%) and repeatability (RSD≤10.1%) were obtained by this method. This work not only showed a facility for the utilization of Fe{sub 3}O{sub 4}@POSS as a substrate for constructing a boronate functionalized nanomagnetic sorbent, but also demonstrated the capability of the derived material for recognition of trace amount of cis-diols biomolecules presented in complicated biological matrices

  5. Artigo revisão: atuação dos antioxidantes em refratários contendo carbono Review article: performance of the antioxidants in carbon containing refractories

    Directory of Open Access Journals (Sweden)

    A. P. Luz

    2007-12-01

    Full Text Available Os materiais refratários contendo carbono têm despertado grande atenção nos últimos anos, uma vez que são amplamente utilizados na indústria siderúrgica em virtude de suas excelentes propriedades. A presença do carbono nos refratários contribui para o aumento da resistência ao choque térmico, da energia de fratura e da resistência ao ataque por escória. Entretanto, a principal desvantagem do seu uso é a sua alta susceptibilidade a oxidação. Com o objetivo de manter o carbono presente na estrutura do material refratário o maior tempo possível, algumas medidas são requeridas para reduzir sua oxidação sob condições operacionais. Desta forma, o uso de substâncias conhecidas como antioxidantes tem sido extensivamente estudado. Os principais antioxidantes, suas características e formas de atuação são abordados nesta revisão. A formação de novos compostos devido à reação entre os antioxidantes com o carbono, nitrogênio, oxigênio e o próprio material refratário pode provocar um preenchimento parcial dos poros e redução da taxa de interdifusão dos gases, havendo assim a prevenção da oxidação do carbono presente no refratário.Carbon containing refractories have received great attention over the last years, as they are widely used in the steel making industry due to their better properties, such as: higher thermal shock resistance, fracture energy and slag resistance. However, their main disadvantage is the carbon oxidation. Aiming to keep carbon in the structure of the refractory material some actions are required in order to reduce its oxidation under operational conditions. Therefore, the use of materials known as antioxidants has been extensively studied. The main antioxidants, their characteristics and performance are discussed in the present review article. The formation of new compounds due to the reaction of the antioxidants with carbon, nitrogen, oxygen and the refractory material can induce a pore

  6. Hamiltonian cycles in polyhedral maps

    Indian Academy of Sciences (India)

    Dipendu Maity

    2017-08-24

    Aug 24, 2017 ... and [3] for graph theory related terminology. ... edges of M which are dual to edges of C and form a set E by putting these dual edges ...... In this process, consider components of G . Now, proper tree is a tree that touches all ...

  7. The effect of polyhedral oligomeric silsesquioxane dispersant and low surface energy additives on spectrally selective paint coatings with self-cleaning properties

    Energy Technology Data Exchange (ETDEWEB)

    Jerman, Ivan; Kozelj, Matjaz; Orel, Boris [National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana (Slovenia)

    2010-02-15

    Thickness-Insensitive Spectrally Selective (TISS) paint coatings were made of fluoropolymer resin binder (Lumiflon (LF), Asahi Glass Co., Ltd., Japan) and their water- and oil-repellent properties were obtained (contact angle: {theta}{sub water}{proportional_to}150 , {theta}{sub n-hexadecane}{proportional_to}55 ) by the addition of Polyhedral Oligomeric Silsesquioxane (POSS) characterized by amino (AP), isooctyl (IO) and perfluoro (PF) groups (i.e. AP{sub 2}IO{sub 4}PF{sub 2}) attached on the silsesquioxane cube (-SiO{sub 3/2}){sub 8}. Paint dispersions were made by modifying of black spinel pigment with trisilanol isobutyl (IB{sub 7}T{sub 7}(OH){sub 3}) POSS dispersant and with a single-capped silane isobutyltrimethoxysilane (IBTMS). Infrared and {sup 29}Si NMR spectra measurements were used for the identification of the structural characteristic of the corresponding POSS compounds. Surface free energy values of the pure cross-linked (no pigment added) LF binder which was determined from the measured contact angles for water, diiodomethane and formamide revealed the {gamma}{sup tot} value of the LF unpigmented resin with added AP{sub 2}IO{sub 4}PF{sub 2} T{sub 8} POSS was about 16.4 mN/m, which led to the {theta}{sub water}{proportional_to}110 , indicating enhancement of the hydrophobicity of the pure LF resin binder ({theta}{sub water}{proportional_to}89 ). SEM micrographs, which were used for the assessment of the TISS paint coating surface morphology confirmed the beneficial dispersive effect of IB{sub 7} T{sub 7}(OH){sub 3} dispersant as compared to the IBTMS silane. The presence of large Aluminium flake pigment and finely ground black pigment led to the formation of TISS paint coating surface, which exhibited bi-hierarchical roughness, resulting in water sliding angles of less than 10 , indicating the possible self-cleaning effect ({theta}{sub water}>150 and {theta}{sub n-hexadecane}{proportional_to}55 ). The use of POSS dispersant and POSS low surface energy

  8. BA321, a novel carborane analog that binds to androgen and estrogen receptors, acts as a new selective androgen receptor modulator of bone in male mice

    International Nuclear Information System (INIS)

    Watanabe, Kenta; Hirata, Michiko; Tominari, Tsukasa; Matsumoto, Chiho; Endo, Yasuyuki; Murphy, Gillian; Nagase, Hideaki

    2016-01-01

    Carboranes are a class of carbon-containing polyhedral boron cluster compounds with globular geometry and hydrophobic surface that interact with hormone receptors such as estrogen receptor (ER) and androgen receptor (AR). We have synthesized BA321, a novel carborane compound, which binds to AR. We found here that it also binds to ERs, ERα and ERβ. In orchidectomized (ORX) mice, femoral bone mass was markedly reduced due to androgen deficiency and BA321 restored bone loss in the male, whilst the decreased weight of seminal vesicle in ORX mice was not recovered by administration of BA321. In female mice, BA321 acts as a pure estrogen agonist, and restored both the loss of bone mass and uterine atrophy due to estrogen deficiency in ovariectomized (OVX) mice. In bone tissues, the trabecular bone loss occurred in both ORX and OVX mice, and BA321 completely restored the trabecular bone loss in both sexes. Cortical bone loss occurred in ORX mice but not in OVX mice, and BA321 clearly restored cortical bone loss due to androgen deficiency in ORX mice. Therefore, BA321 is a novel selective androgen receptor modulator (SARM) that may offer a new therapy option for osteoporosis in the male. - Highlights: • A novel carborane compound BA321 binds to both AR and ERs, ERα and ERβ. • BA321 restores bone loss in orchidectomized mice without effects on sex organ. • BA321 acts as an estrogen agonist in bone and uterus in ovariectomized mice. • BA321 may be a new SARM to prevent the loss of musculoskeletal mass in elder men.

  9. BA321, a novel carborane analog that binds to androgen and estrogen receptors, acts as a new selective androgen receptor modulator of bone in male mice

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Kenta [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Cooperative Major in Advanced Health Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Hirata, Michiko [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Tominari, Tsukasa [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Institute of Global Innovation Research, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Matsumoto, Chiho [Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Endo, Yasuyuki [Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, 4-4-1, Komatsushima, Aoba-ku, Sendai, 981-8558 (Japan); Murphy, Gillian [Department of Oncology, University of Cambridge, Cancer Research UK, Cambridge Institute, Li Ka Shing Centre, Cambridge, CB2 0RE (United Kingdom); Nagase, Hideaki [Institute of Global Innovation Research, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588 (Japan); Kennedy Institute of Rheumatology, Nuffield Department of Orthopaedics, Rheumatology and Musculoskeletal Sciences, University of Oxford, Oxford, OX3 7FY (United Kingdom); and others

    2016-09-09

    Carboranes are a class of carbon-containing polyhedral boron cluster compounds with globular geometry and hydrophobic surface that interact with hormone receptors such as estrogen receptor (ER) and androgen receptor (AR). We have synthesized BA321, a novel carborane compound, which binds to AR. We found here that it also binds to ERs, ERα and ERβ. In orchidectomized (ORX) mice, femoral bone mass was markedly reduced due to androgen deficiency and BA321 restored bone loss in the male, whilst the decreased weight of seminal vesicle in ORX mice was not recovered by administration of BA321. In female mice, BA321 acts as a pure estrogen agonist, and restored both the loss of bone mass and uterine atrophy due to estrogen deficiency in ovariectomized (OVX) mice. In bone tissues, the trabecular bone loss occurred in both ORX and OVX mice, and BA321 completely restored the trabecular bone loss in both sexes. Cortical bone loss occurred in ORX mice but not in OVX mice, and BA321 clearly restored cortical bone loss due to androgen deficiency in ORX mice. Therefore, BA321 is a novel selective androgen receptor modulator (SARM) that may offer a new therapy option for osteoporosis in the male. - Highlights: • A novel carborane compound BA321 binds to both AR and ERs, ERα and ERβ. • BA321 restores bone loss in orchidectomized mice without effects on sex organ. • BA321 acts as an estrogen agonist in bone and uterus in ovariectomized mice. • BA321 may be a new SARM to prevent the loss of musculoskeletal mass in elder men.

  10. An investigation of the use of cerium and polyhedral oligomeric silsesquioxanes for the protection of polymeric epoxy compounds in the low Earth orbit environment

    Science.gov (United States)

    Piness, Jessica Miriam

    Low Earth orbit presents many hazards for composites including atomic oxygen, UV radiation, thermal cycling, micrometeoroids, and high energy protons. Atomic oxygen and vacuum ultraviolet radiation are of concern for space-bound polymeric materials as they degrade the polymers used as matrices for carbon fiber composites, which are used in satellites and space vehicles due to their high strength to weight ratios. Epoxy-amine thermosets comprise a common class of matrix due to processability and good thermal attributes. Polyhedral oligomeric silsesquioxanes (POSS) have shown the ability to reduce erosion in polyimides, polyurethanes, and other polymers when exposed to atomic oxygen. The POSS particle is composed of a SiO1.5 cage from which up to eight organic pendant groups are attached at the silicon corners of the cage. POSS reduced atomic oxygen impact on polymers by a process known as glassification wherein the organic pendants are removed from the cage upon atomic oxygen exposure and then the cage rearranges to a passive silica network. In addition, POSS shows good UV absorbance in the UVb and UVc ranges and POSS can aid dispersion of titanium dioxide in a nanocomposite. In this work, Chapter I focuses on hazards in low Earth orbit, strategies for protecting organic material in orbit, and the capabilities of POSS. Chapter II details the experimental practices used in this work. Chapter III focuses on work to induce POSS phase separation and layering at the surface of an epoxy-amine thermoset. Generally, POSS is dispersed throughout a nanocomposite, and in the process of erosion by atomic oxygen, some polymer mass loss is lost before enough POSS is exposed to begin glassification. Locating POSS at a surface of composite could possibly reduce this mass loss and the objective of this research was to investigate the formation of POSS-rich surfaces. Three POSS derivatives with different pendant groups were chosen. The POSS derivatives had a range of miscibilities

  11. Facile hydrothermal synthesis of polyhedral Fe{sub 3}O{sub 4} nanocrystals, influencing factors and application in the electrochemical detection of H{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Kefeng [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China); Ni Yonghong, E-mail: niyh@mail.ahnu.edu.cn [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China); Zhang Li [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Wuhu 241000 (China)

    2012-08-15

    Highlights: Black-Right-Pointing-Pointer Fe{sub 3}O{sub 4} polyhedra had been successfully synthesized by a facile hydrothermal technology. Black-Right-Pointing-Pointer The as-obtained product exhibited the room-temperature ferrimagnetic property. Black-Right-Pointing-Pointer The final product could be prepared into an electrochemical sensor for the detection of H{sub 2}O{sub 2}. - Abstract: Polyhedral Fe{sub 3}O{sub 4} nanocrystals have been successfully synthesized by a facile hydrothermal technique, employing FeSO{sub 4}{center_dot}7H{sub 2}O, N{sub 2}H{sub 4} and NH{sub 3}{center_dot}H{sub 2}O as the reactants without the assistance of any surfactant. The phase of the as-obtained Fe{sub 3}O{sub 4} was characterized by X-ray powder diffraction (XRD) and further proved by Rietveld refinement of XRD data. Energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM) were used for the composition and morphology analyses of the final product. Some factors influencing the formation of polyhedral Fe{sub 3}O{sub 4} nanocrystals were systematically investigated, including the reaction temperature and time, and the original volume ratio of NH{sub 3}{center_dot}H{sub 2}O/N{sub 2}H{sub 4}{center_dot}H{sub 2}O. It was found that the as-prepared Fe{sub 3}O{sub 4} polyhedra exhibited a good electrochemical property in 0.1 M phosphate buffer solution (PBS) with pH 7.0 and could be prepared into an electrochemical sensor for the detection of H{sub 2}O{sub 2}. The linear response range of the sensor was 10.0 Multiplication-Sign 10{sup -6} to 140.0 Multiplication-Sign 10{sup -6} M and a sensitivity was 11.05 {mu}A/mM. Furthermore, the room-temperature magnetic property of the product was also investigated.

  12. Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

    International Nuclear Information System (INIS)

    Xu, Shao-Gang; Liao, Ji-Hai; Zhao, Yu-Jun; Yang, Xiao-Bao

    2015-01-01

    The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B 30–40 were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B n clusters with n = 30–51 and found a stable planar cluster of B 49 with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distribution of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages

  13. Chiral separability of boron cluster species studied by screening approaches utilizing polysaccharide-based chiral stationary phases

    Czech Academy of Sciences Publication Activity Database

    Mangelings, D.; Vander Heyden, Y.; Vespalec, Radim

    2014-01-01

    Roč. 28, č. 5 (2014), s. 694-707 ISSN 0269-3879 Institutional support: RVO:68081707 Keywords : SUPERCRITICAL-FLUID CHROMATOGRAPHY * ORGANIC-SOLVENT CHROMATOGRAPHY * LIQUID-CHROMATOGRAPHY Subject RIV: BO - Biophysics Impact factor: 1.723, year: 2014

  14. Preparing microspheres of actinide nitrides from carbon containing oxide sols

    International Nuclear Information System (INIS)

    Triggiani, L.V.

    1975-01-01

    A process is given for preparing uranium nitride, uranium oxynitride, and uranium carboxynitride microspheres and the microspheres as compositions of matter. The microspheres are prepared from carbide sols by reduction and nitriding steps. (Official Gazette)

  15. Formation of carbon containing layers on tungsten test limiters

    International Nuclear Information System (INIS)

    Rubel, M.; Philipps, V.; Huber, A.; Tanabe, T.

    1999-01-01

    Tungsten test limiters of mushroom shape and a plasma facing area of approximately 100 cm 2 were exposed at the TEXTOR-94 tokamak to a number of deuterium fuelled discharges performed under various operation conditions. Two types of limiters were tested: a sole tungsten limiter and a twin limiter consisting of two halves, one made of tungsten and another of graphite. The exposed surfaces were examined with ion beam analysis methods and laser profilometry. The formation of some deposition zones was observed near the edges of the limiters. The deuterium-to-carbon concentration ratio was in the range from 0.04 to 0.11 and around 0.2 for the sole tungsten and the twin limiter, respectively. Significant amounts of the co-deposited tungsten and silicon atoms were found on the graphite part of the twin limiter indicating the formation of mixed W-C-Si compounds. (orig.)

  16. Hub location proplems under polyhedral demand uncertainty

    OpenAIRE

    Meraklı, Merve

    2015-01-01

    Cataloged from PDF version of thesis. Includes bibliographical references (leaves 69-74). Thesis (M.S.): Bilkent University, Department of Industrial Engineering, İhsan Doğramacı Bilkent University, 2015. Hubs are points of consolidation and transshipment in many-to-many distribution systems that bene t from economies of scale. In hub location problems, the aim is to locate hub facilities such that each pairwise demand is satis ed and the total cost is minimized. The problem...

  17. Polyhedral Oligomeric Silsesquioxane (POSS) Styrene Macromers

    National Research Council Canada - National Science Library

    Haddad, Timothy

    2001-01-01

    .... Cyclohexyl, cyclopentyl and isobutyl substituted POSS-stryenes (at 30 weight % loadings) undergo free radical bulk polymerizations with styrene to produce polymers with an enhanced modulus above the glass transition temperature...

  18. Robust structural identification via polyhedral template matching

    DEFF Research Database (Denmark)

    Larsen, Peter Mahler; Schmidt, Søren; Schiøtz, Jakob

    2016-01-01

    Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as common neighbour analysis, rely on interatomic distances (or thres...... is made available under a Free and Open Source Software license....

  19. Resinas termofixas e a produção de refratários contendo carbono: base teórica e insights para futuros desenvolvimentos Thermosetting resins and the production of carbon containing refractories: theoretic basis and insights for future developments

    Directory of Open Access Journals (Sweden)

    C. S. Bitencourt

    2013-03-01

    Full Text Available Por suas diversas vantagens em relação ao piche de alcatrão convencional, o uso das resinas termofixas fenólicas vem se expandindo na produção dos refratários contendo carbono. Contudo, apesar desta tendência, ainda se verificam poucos trabalhos publicados no meio acadêmico que se proponham a investigar como alterações nas características desses polímeros podem afetar e beneficiar o processamento e as propriedades dos refratários. Algumas pesquisas reportam os efeitos dessas alterações sobre a pirólise do termofixo isolado. Entretanto, empregar plenamente as suas conclusões nos estudos em refratários pode não ser adequado, visto que os demais componentes e os próprios métodos de processamento desses materiais podem ter uma importante influência sobre o comportamento do termofixo. Assim, procurando verificar os caminhos mais promissores para desenvolver resinas fenólicas que apresentem um desempenho otimizado para essa aplicação específica, este artigo faz uma revisão geral sobre a química desses termofixos e suas conseqüências para o processamento do refratário e para a geração de carbono. Também serão revisados alguns aditivos capazes de auxiliar a resina a alcançar tal desempenho superior, entre eles os chamados agentes grafitizantes, que teriam a função de induzir a cristalização do carbono produzido pelo termofixo, um fenômeno antes exclusivo de fontes de carbono grafitizáveis como os piches.Based on the many advantages over the conventional coal tar pitch, the application of thermosetting phenolic resins has been expanding for the production of carbon containing refractories. Nevertheless, despite this trend, it is noticeable that there are few published technical and scientific papers aiming to investigate how modifications in these polymers characteristics could affect and benefit the refractories processing and properties. There are studies in the literature analyzing the effects of these

  20. Polyfluorinated boron cluster based salts: A new electrolyte for application in nonaqueous asymmetric AC/Li{sub 4}Ti{sub 5}O{sub 12} supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Ionica-Bousquet, C.M.; Munoz-Rojas, D.; Palacin, M.R. [Institut de Ciencia de Materials de Barcelona, CSIC, Campus UAB, E-08193 Bellaterra (Spain); Casteel, W.J. Jr.; Pearlstein, R.M.; Kumar, G. Girish; Pez, G.P. [Air Products and Chemicals, Inc., 7201 Hamilton Blvd., Allentown, PA 18195 (United States)

    2011-02-01

    Solutions of novel fluorinated lithium dodecaborate (Li{sub 2}B{sub 12}F{sub x}H{sub 12-x}) salts have been evaluated as electrolytes in nonaqueous asymmetric supercapacitors with Li{sub 4}Ti{sub 5}O{sub 12} as negative electrode, and activated carbon (AC) as positive electrode. The results obtained with these new electrolytes were compared with those obtained with cells built using standard 1 M LiPF{sub 6} dissolved in ethylene carbonate and dimethyl carbonate (EC:DMC; 1:1, v/v) as electrolyte. The specific energy, rate capability, and cycling performances of nonaqueous asymmetric cells based on these new electrolyte salts were studied. Cells assembled using the new fluoroborate salts show excellent reversibility, coulombic efficiency, rate capability and improved cyclability when compared with the standard electrolyte. These features confirm the suitability of lithium-fluoro-borate based salts to be used in nonaqueous asymmetric supercapacitors. (author)

  1. Radiobromination of monoclonal antibody using potassium [{sup 76}Br] (4 isothiocyanatobenzyl-ammonio)-bromo-decahydro-closo-dodecaborate (Bromo-DABI)

    Energy Technology Data Exchange (ETDEWEB)

    Bruskin, Alexander; Sivaev, Igor; Persson, Mikael; Lundqvist, Hans; Carlsson, Joergen; Sjoeberg, Stefan; Tolmachev, Vladimir E-mail: Vladimir.Tolmachev@bms.uu.se

    2004-02-01

    The use of charged linkers in attaching radiohalogens to tumor-seeking biomolecules may improve intracellular retention of the radioactive label after internalization and degradation of targeting proteins. Derivatives of polyhedral boron clusters, such as closo-dodecaborate (2-) anion, might be possible charged linkers. In this study, a bifunctional derivative of closo-dodecaborate, (4-isothiocyanatobenzyl-ammonio)-undecahydro-closo-dodecaborate (DABI) was labeled with positron-emitting nuclide {sup 76}Br (T = 16.2 h) and coupled to anti-HER2/neu humanized antibody Trastuzumab. The overall labeling yield at optimized conditions was 80.7 {+-} 0.6%. The label was proven to be stable in vitro in physiological and a set of denaturing conditions. The labeled antibody retained its capacity to bind to HER-2/neu antigen expressing cells. The results of the study demonstrated feasibility for using derivatives of closo-dodecaborate in indirect labeling of antibodies for radioimmunoPET.

  2. Polyhedral aspects of score equivalence in Bayesian network structure learning

    Czech Academy of Sciences Publication Activity Database

    Cussens, J.; Haws, D.; Studený, Milan

    2017-01-01

    Roč. 164, 1-2 (2017), s. 285-324 ISSN 0025-5610 R&D Projects: GA ČR GA13-20012S; GA ČR(CZ) GA16-12010S Institutional support: RVO:67985556 Keywords : family-variable polytope * characteristic-imset polytope * score equivalent face/facet * supermodular set function Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 2.446, year: 2016 http://library.utia.cas.cz/separaty/2017/MTR/studeny-0475315.pdf

  3. A 3D POLYHEDRAL METAL–ORGANIC FRAMEWORK AS DRUG ...

    African Journals Online (AJOL)

    Research and Development of New Medical Materials of Guangdong .... funded project of Guangdong Medical University (Z2016001 and M2016023), Innovative ... thermodynamic studies of five coodrdinate cobalt(III) Schiff base complexes.

  4. Preparation and Properties of Polyhedral Oligosilsesquioxanes/Polymers Blends

    National Research Council Canada - National Science Library

    Blanski, Rusty

    2000-01-01

    ... (polycarbonate, SB rubber, etc.) resulting in a clear blend. We also report that aliphatic POSS compounds are also dispersible in high density polyethylene. The synthesis of POSS/polymer blends as well as some physical properties will be discussed.

  5. Polymer Nanocomposites Designed with Polyhedral Oligomeric Silsesquioxanes (POSS) and Plastics

    National Research Council Canada - National Science Library

    Haddad, Timothy; Mabry, Joseph

    2005-01-01

    .... These applications include space-survivable coatings and fire-resistant materials. Due to their physical size, POSS incorporation in polymers generally serves to reduce chain mobility, thus affecting both thermal and mechanical properties...

  6. Polyhedral Computations for the Simple Graph Partitioning Problem

    DEFF Research Database (Denmark)

    Sørensen, Michael Malmros

    The simple graph partitioning problem is to partition an edge-weighted graph into mutually disjoint subgraphs, each containing no more than b nodes, such that the sum of the weights of all edges in the subgraphs is maximal. In this paper we present a branch-and-cut algorithm for the problem that ...

  7. DNA rendering of polyhedral meshes at the nanoscale

    Science.gov (United States)

    Benson, Erik; Mohammed, Abdulmelik; Gardell, Johan; Masich, Sergej; Czeizler, Eugen; Orponen, Pekka; Högberg, Björn

    2015-07-01

    It was suggested more than thirty years ago that Watson-Crick base pairing might be used for the rational design of nanometre-scale structures from nucleic acids. Since then, and especially since the introduction of the origami technique, DNA nanotechnology has enabled increasingly more complex structures. But although general approaches for creating DNA origami polygonal meshes and design software are available, there are still important constraints arising from DNA geometry and sense/antisense pairing, necessitating some manual adjustment during the design process. Here we present a general method of folding arbitrary polygonal digital meshes in DNA that readily produces structures that would be very difficult to realize using previous approaches. The design process is highly automated, using a routeing algorithm based on graph theory and a relaxation simulation that traces scaffold strands through the target structures. Moreover, unlike conventional origami designs built from close-packed helices, our structures have a more open conformation with one helix per edge and are therefore stable under the ionic conditions usually used in biological assays.

  8. Preparation and Properties of Polyhedral Oligosilsesquioxanes/Polymers Blends

    National Research Council Canada - National Science Library

    Blanski, Rusty

    2000-01-01

    .... These materials have the advantage of combining a well defined ceramic type molecule with an organic polymer which can result in a material that may bridge the performance gap between the two systems...

  9. Mesoscale studies of ionic closed membranes with polyhedral geometries

    Science.gov (United States)

    2016-07-25

    results of the Monte Carlo simulations of a charge -fluctuating model that treats charge correlations in detail. The degree of dissociation of a lipid...dissociation is favorable and the system is completely charged over a range of pH values. Molecular dynamics (MD) simulations were performed at a low degree of...vesicle shapes obtained by simulated annealing Monte Carlo optimization of a discrete triangulation5 for large and small crystalline domains sizes

  10. Registering pointclouds of polyhedral buildings to 2D maps

    NARCIS (Netherlands)

    Remondino, F.; El-Hakim, S.; Gonzo, L.; Khoshelham, K.; Gorte, B.G.

    2009-01-01

    This paper presents a method for automated pointcloud-to-map registration using a plane matching technique. The registration is based on estimating a transformation between a set of planes inferred from the map and their corresponding planes extracted from the pointcloud. A plane matching algorithm

  11. Rheological Behavior of Entangled Polystyrene-Polyhedral Oligosilsesquioxane (POSS) Copolymer

    Science.gov (United States)

    2006-08-24

    there is strong intermolecular interaction, such as hydrogen bonding, ion-ion interaction, acid -base interaction, among others, the formation of...This is a very large packing length increase (71%). A similar increase (73%) is observed in polymethacrylates when the pendant methyl group of PMMA is

  12. Exploration of Extreme Terrain Using a Polyhedral Rover

    Data.gov (United States)

    National Aeronautics and Space Administration — Exploring celestial bodies with extreme terrains in our solar system, like Mars, Europa, Enceladus, and asteroids, are of great importance to NASA because these...

  13. A 3D POLYHEDRAL METAL–ORGANIC FRAMEWORK AS DRUG ...

    African Journals Online (AJOL)

    . Bull. Chem. Soc. Ethiop. 2017, 31(3). 459 solution was taken out, and 1 mL of fresh PBS buffer was added. The content of 5-FU in the samples taken out was determined by HPLC. RESULTS AND DISCUSSION. 1 has three types of cages ...

  14. Pd supported on carbon containing nickel, nitrogen and sulfur for ethanol electrooxidation.

    Science.gov (United States)

    Yang, Zi-Rui; Wang, Shang-Qing; Wang, Jing; Zhou, Ai-Ju; Xu, Chang-Wei

    2017-11-13

    Carbon material containing nickel, nitrogen and sulfur (Ni-NSC) has been synthesized using metal-organic frameworks (MOFs) as precursor by annealing treatment with a size from 200 to 300 nm. Pd nanoparticles supported on the Ni-NSC (Pd/Ni-NSC) are used as electrocatalysts for ethanol oxidation in alkaline media. Due to the synergistic effect between Pd and Ni, S, N, free OH radicals can form on the surface of Ni, N and S atoms at lower potentials, which react with CH 3 CO intermediate species on the Pd surface to produce CH 3 COO - and release the active sites. On the other hand, the stronger binding force between Pd and co-doped N and S is responsible for enhancing dispersion and preventing agglomeration of the Pd nanoparticles. The Pd(20 wt%)/Ni-NSC shows better electrochemical performance of ethanol oxidation than the traditional commercial Pd(20 wt%)/C catalyst. Onset potential on the Pd(20 wt%)/Ni-NSC electrode is 36 mV more negative compared with that on the commercial Pd(20 wt%)/C electrode. The Pd(20 wt%)/Ni-NSC in this paper demonstrates to have excellent electrocatalytic properties and is considered as a promising catalyst in alkaline direct ethanol fuel cells.

  15. Kinetic study of the reaction of uranium with various carbon-containing gases

    International Nuclear Information System (INIS)

    Feron, G.

    1963-09-01

    The kinetic study of the reaction U + CO 2 and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO 2 → UO 2 + 2 CO U + CO 2 → UO 2 + C The reaction with carbon monoxide leads to a mixture of dioxide UO 2 , dicarbide UC 2 and free carbon. The main reaction can be written. U + CO → 1/2 UO 2 + 1/2 UC 2 The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO 2 and UC 2 can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO 2 and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [fr

  16. Wear resistant composite structure of vitreous carbon containing convoluted fibers. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Burton, R.G.; Burton, R.A.

    1996-05-28

    Energy Related Inventions Program Number 613 was a two year program to commercialize a unique new wear material, Metal Reinforced Carbon Composite, MRCC. The program was designed to manufacture sample components of MRCC for evaluation by potential users and manufacturers. As a result of the program Burton Technologies Inc. and Rotary Power International are forming a joint company to manufacture, market and license MRCC materials to a wide range of industries.

  17. Carbon-Containing Waste of Coal Enterprises in Magnetic Sorbents Technology

    Science.gov (United States)

    Kvashevaya, Ekaterina; Ushakova, Elena; Ushakov, Andrey

    2017-11-01

    The article shows the issues state of coal-mining enterprises carbonaceous wastes utilization, including by obtaining oil-sorbent. The characteristics of the feedstock are presented; experiment methods of obtaining a binder based on the livestock enterprises waste, of forming binder with filler (sawdust, coal waste); of pyrogenetic processing to obtain a sorbent are described. Possible options for the introduction of magnetite (a magnetic component) in the composition of the oil sorbent are considered: on the surface, in the volume of the granule and the magnetite core. In the course of the work it was found that the optimum content of coal dust in the sorbent granules is 75% by weight, and the most effective way of obtaining the magnetic sorbent is to apply the carbon material directly to the "core" of magnetite. However, in this case, the problem of finding an effective binder for magnetite arises. The option of applying magnetite on the surface of a carbon sorbent is not effective. Thus, at present, we use a mixture of coal waste, which binds to the uniform distribution of magnetite in the volume. The developed magnetic sorbents can be used in various weather conditions, including strong winds and icing of water bodies, as well as for small and medium currents.

  18. Enhanced superconducting properties of MgB2 by carbon substitution using carbon containing nano additives

    International Nuclear Information System (INIS)

    Devadas, K.M.; Varghese, Neson; Vinod, K.; Rahul, S.; Thomas, Syju; Anooja, J.B.; Syamaprasad, U.; Sundaresan, A.; Roy, S.B.

    2010-01-01

    A comparative study on the effect of doping of nano carbon, nano diamond and nano SiC in MgB 2 is carried out. The J c (H) is significantly enhanced for all doped samples compared to the pure sample among which MgB 1.9 C 0.1 (nano C) exhibits the best J c (H) performance. The enhanced performance is due to the effective substitution of C at B site which is confirmed by the systematic decrease in both α axis and T c . (author)

  19. Materials and Concepts for Full Ceramic SOFCs with Focus on Carbon Containing Fuels

    DEFF Research Database (Denmark)

    Holtappels, Peter; Sudireddy, Bhaskar Reddy; Veltzé, Sune

    Todays' solid oxide fuels cells based on composite Ni-cermet anodes have been developed op to reasonable levels of performance and durability. However, especially for small combined heat and power supply systems, known failure mechanisms e.g. re-oxidation, sulfur tolerance and coking have...

  20. Formic Acid Oxidation over Hierarchical Porous Carbon Containing PtPd Catalysts

    Directory of Open Access Journals (Sweden)

    Elena Pastor

    2013-10-01

    Full Text Available The use of high surface monolithic carbon as support for catalysts offers important advantage, such as elimination of the ohmic drop originated in the interparticle contact and improved mass transport by ad-hoc pore design. Moreover, the approach discussed here has the advantage that it allows the synthesis of materials having a multimodal porous size distribution, with each pore size contributing to the desired properties. On the other hand, the monolithic nature of the porous support also imposes new challenges for metal loading. In this work, the use of Hierarchical Porous Carbon (HPC as support for PtPd nanoparticles was explored. Three hierarchical porous carbon samples (denoted as HPC-300, HPC-400 and HPC-500 with main pore size around 300, 400 and 500 nm respectively, are used as porous support. PtPd nanoparticles were loaded by impregnation and subsequent chemical reduction with NaBH4. The resulting material was characterized by EDX, XRD and conventional electrochemical techniques. The catalytic activity toward formic acid and methanol electrooxidation was evaluated by electrochemical methods, and the results compared with commercial carbon supported PtPd. The Hierarchical Porous Carbon support discussed here seems to be promising for use in DFAFC anodes.

  1. Method and apparatus for capturing carbon dioxide during combustion of carbon containing fuel

    Science.gov (United States)

    Axelbaum, Richard L.; Kumfer, Benjamin M.; Xia, Fei; Gopan, Akshay; Dhungel, Bhupesh

    2018-04-10

    A boiler system having a series of boilers. Each boiler includes a shell having an upstream end, a downstream end, and a hollow interior. The boilers also have an oxidizer inlet entering the hollow interior adjacent the upstream end of the shell and a fuel nozzle positioned adjacent the upstream end of the shell for introducing fuel into the hollow interior of the shell. Each boiler includes a flue duct connected to the shell adjacent the downstream end for transporting flue gas from the hollow interior. Oxygen is delivered to the oxidizer inlet of the first boiler in the series. Flue gas from the immediately preceding boiler in the series is delivered through the oxidizer inlet of each boiler subsequent to the first boiler in the series.

  2. A review of the interference of carbon containing fly ash with air entrainment in concrete

    DEFF Research Database (Denmark)

    Pedersen, Kim Hougaard; Jensen, Anker Degn; Skjøth-Rasmussen, Martin Skov

    2008-01-01

    may interfere with air entraining admixtures (AEAs) added to enhance air entrainment in concrete in order to increase its workability and resistance toward freezing and thawing conditions. The problem has increased with implementation of low-NOx combustion technologies. This review presents the past...

  3. The corrosion and protection of less carbon containing steel in subsoil

    International Nuclear Information System (INIS)

    Kazimov, A. M; Mamedyarova, I. F; Selimkhanova, G. G; Bskhishova, D. A; Ibragimova, S. G.

    2007-01-01

    Full text: The protection and corrosion resistance of steel in subsoil waters of Baku subway were investigated. Kinetic curves were drawn. The results obtained from the experiment coincide with calculated results. There have been revealed and proposed hudron and fuel oil mixture protecting steel from corrosion in subsoil waters (97.8%) for the internal surface of steel pipes

  4. Alpha shift correlation (ASC) method. Sensitivity of B-11 NMR shifts to halogen substitution in the ten-vertex nido and arachno series of boron clusters. Linear behavior of NMR effects

    Czech Academy of Sciences Publication Activity Database

    Štíbr, Bohumil

    2018-01-01

    Roč. 471, FEB (2018), s. 615-619 ISSN 0020-1693 R&D Projects: GA ČR(CZ) GA16-01618S Institutional support: RVO:61388980 Keywords : Boranes * Dicarbaboranes * NMR shifts- B NMR correlation 11 * Sensitivity factors * Substitution effects Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 2.002, year: 2016

  5. Nano-twin mediated plasticity in carbon-containing FeNiCoCrMn high entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Z. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Materials Science and Engineering Department, University of Tennessee, Knoxville, TN 37996 (United States); Parish, C.M. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Bei, H., E-mail: beih@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2015-10-25

    Equiatomic FeNiCoCrMn alloy has been reported to exhibit promising strength and ductility at cryogenic temperature and deformation mediated by nano-twining appeared to be one of the main reasons. We use the FeNiCoCrMn alloy as a base alloy to seek further improvement of its mechanical properties by alloying additional elements, i.e., interstitial carbon. The effects of carbon on microstructures, mechanical properties and twinning activities were investigated in two different temperatures (77 and 293 K). With addition of 0.5 at% C, the high entropy alloy still remains entirely single phase face-centered cubic (FCC) crystal structure. The materials can be cold rolled and recrystallized to produce a microstructure with equiaxed grains. Both strain hardening rate and strength are enhanced while high uniform elongations to fracture (∼70% at 77 K and ∼40% at 293 K) are still maintained. The increased strain hardening and strength could be caused by the promptness of deformation twinning in C-containing high entropy alloys. - Highlights: • Interstitial atom C was successfully added into FeNiCoCrMn high entropy alloys. • The strain hardening rate and strength are enhanced in the C-containing alloy. • The increased strain-hardening and strength are caused by the nano-twinning.

  6. Controllable fabrication of Pt nanocatalyst supported on N-doped carbon containing nickel nanoparticles for ethanol oxidation.

    Science.gov (United States)

    Yu, Jianguo; Dai, Tangming; Cao, Yuechao; Qu, Yuning; Li, Yao; Li, Juan; Zhao, Yongnan; Gao, Haiyan

    2018-08-15

    In this paper, platinum nanoparticles were deposited on a carbon carrier with the partly graphitized carbon and the highly dispersive carbon-coated nickel particles. An efficient electron transfer structure can be fabricated by controlling the contents of the deposited platinum. The high resolution transmission electron microscopy images of Pt 2 /Ni@C N-doped sample prove the electron transfer channel from Pt (1 1 1) crystal planes to graphite (1 0 0) or Ni (1 1 1) crystal planes due to these linked together crystal planes. The Pt 3 /Ni@C N-doped with low Pt contents cannot form the electron transfer structure and the Pt 1 /Ni@C N-doped with high Pt contents show an obvious aggregation of Pt nanoparticles. The electrochemical tests of all the catalysts show that the Pt 2 /Ni@C N-doped sample presents the highest catalytic activity, the strongest CO tolerance and the best catalytic stability. The high performance is attributed to the efficient electronic transport structure of the Pt 2 /Ni@C N-doped sample and the synergistic effect between Pt and Ni nanoparticles. This paper provides a promising method for enhancing the conductivity of electrode material. Copyright © 2018 Elsevier Inc. All rights reserved.

  7. Aggregation and C dynamics along an elevation gradient in carbonate-containing grassland soils of the Alps

    Science.gov (United States)

    Garcia-Franco, Noelia; Wiesmeier, Martin; Kiese, Ralf; Dannenmann, Michael; Wolf, Benjamin; Zistl-Schlingmann, Marcus; Kögel-Knabner, Ingrid

    2017-04-01

    C sequestration in mountainous grassland soils is regulated by physical, chemical and biological soil process. An improved knowledge of the relationship between these stabilization mechanisms is decisive to recommend the best management practices for climate change mitigation. In this regard, the identification of a successful indicator of soil structural improvement and C sequestration in mountainous grassland soils is necessary. Alpine and pre-alpine grassland soils in Bavaria represent a good example for mountainous grassland soils faced with climate change. We sampled grassland soils of the northern limestone alps in Bavaria along an elevation gradient from 550 to 1300 m above sea level. We analyzed C dynamics by a comparative analysis of the distribution of C according to aggregate size classes: large-macroaggregates (> 2000 µm), small-macroaggregates (250-2000 µm), microaggregates (63-250 µm), silt plus clay particles (soil. Our preliminary results showed higher C content and changed water-stable aggregate distribution in the high elevation sites compared to lower elevations. Magnesium carbonate seem to play an important role in stabilizing macroaggregates formed from fresh OM. In addition, the isolation of occluded microaggregates within macroaggregates will help us to improve our understanding on the effects of climate change on soil structure and on the sensitivity of different C stabilization mechanisms present in mountainous soils.

  8. Polyhedral boron-containing cluster chemistry: Aspects of architecture beyond the icosahedron

    Czech Academy of Sciences Publication Activity Database

    Shea, S. L.; Bould, J.; Londesborough, M. G. S.; Perea, S. D.; Franken, A.; Ormsby, D. L.; Jelínek, Tomáš; Štíbr, Bohumil; Holub, Josef; Kilner, C. A.; Thorton-Pett, M.; Kennedy, J. D.

    2003-01-01

    Roč. 75, č. 9 (2003), s. 1239-1248 ISSN 0033-4545 R&D Projects: GA MŠk LN00A028 Grant - others:UK EPRC(GB) J56929 Institutional research plan: CEZ:AV0Z4032918 Keywords : molecular chemistry * carbon hydrides Subject RIV: CA - Inorganic Chemistry Impact factor: 1.471, year: 2003

  9. Polymer dynamics in rubbery epoxy networks/polyhedral oligomeric silsesquioxanes nanocomposites

    Czech Academy of Sciences Publication Activity Database

    Kourkoutsaki, T.; Logakis, E.; Kroutilová, Irena; Matějka, Libor; Nedbal, J.; Pissis, P.

    2009-01-01

    Roč. 113, č. 4 (2009), s. 2569-2582 ISSN 0021-8995 R&D Projects: GA AV ČR IAA400500701 Institutional research plan: CEZ:AV0Z40500505 Keywords : nanocomposites * dielectric properties * rubbery epoxy networks Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.203, year: 2009

  10. Epoxy networks reinforced with polyhedral oligomeric silsesquioxanes (POSS). 1. Structure and morphology

    Czech Academy of Sciences Publication Activity Database

    Matějka, Libor; Strachota, Adam; Pleštil, Josef; Whelan, P.; Steinhart, Miloš; Šlouf, Miroslav

    2004-01-01

    Roč. 37, č. 25 (2004), s. 9449-9456 ISSN 0024-9297 R&D Projects: GA AV ČR IAA4050008 Grant - others:European Community's Human Potential Programme(XE) HPRN/CT-2002-00306 Institutional research plan: CEZ:AV0Z4050913 Keywords : POSS * epoxy network * structure of nanocomposites Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.898, year: 2004

  11. Horn clause verification with convex polyhedral abstraction and tree automata-based refinement

    DEFF Research Database (Denmark)

    Kafle, Bishoksan; Gallagher, John Patrick

    2017-01-01

    In this paper we apply tree-automata techniques to refinement of abstract interpretation in Horn clause verification. We go beyond previous work on refining trace abstractions; firstly we handle tree automata rather than string automata and thereby can capture traces in any Horn clause derivations...... underlying the Horn clauses. Experiments using linear constraint problems and the abstract domain of convex polyhedra show that the refinement technique is practical and that iteration of abstract interpretation with tree automata-based refinement solves many challenging Horn clause verification problems. We...... compare the results with other state-of-the-art Horn clause verification tools....

  12. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    INTRODUCTION: (1) Nanomodification of semicrystalline polymers -- unequalled thermal, mechanical and surface properties at low volume fractions that cannot be obtained using conventional fillers; (2...

  13. Development of a convex polyhedral discrete element simulation framework for NVIDIA Kepler based GPUs

    CSIR Research Space (South Africa)

    Govender, Nicolin

    2013-01-01

    Full Text Available in nature and cannot be described by a closed form solution for more than a few particles. A popular and successful approach in simulating the underlying dynamics of GM is by using the Discrete Element Method (DEM). Computational viable simulations...

  14. Rheological Investigation of Entangled Hybrid Copolymers of Polystyrene (PS) With Polyhedral Oligosilsesquioxane (POSS)

    National Research Council Canada - National Science Library

    Wu, Jian; Haddad, Timothy S; Mather, Patrick T

    2004-01-01

    ...) were investigated with variation of isobutyl (iBu)-POSS weight percentage. The incorporation of POSS-group significantly decreases the glass transition temperature and the rubbery plateau modulus...

  15. R Implementation of a Polyhedral Approximation to a 3D Set of Points Using the ?-Shape

    Directory of Open Access Journals (Sweden)

    Thomas Lafarge

    2014-01-01

    Full Text Available This work presents the implementation in R of the ?-shape of a finite set of points in the three-dimensional space R3. This geometric structure generalizes the convex hull and allows to recover the shape of non-convex and even non-connected sets in 3D, given a ran- dom sample of points taken into it. Besides the computation of the ?-shape, the R package alphashape3d provides users with tools to facilitate the three-dimensional graphical visu- alization of the estimated set as well as the computation of important characteristics such as the connected components or the volume, among others.

  16. Gradient Calculation Methods on Arbitrary Polyhedral Unstructured Meshes for Cell-Centered CFD Solvers

    Science.gov (United States)

    Sozer, Emre; Brehm, Christoph; Kiris, Cetin C.

    2014-01-01

    A survey of gradient reconstruction methods for cell-centered data on unstructured meshes is conducted within the scope of accuracy assessment. Formal order of accuracy, as well as error magnitudes for each of the studied methods, are evaluated on a complex mesh of various cell types through consecutive local scaling of an analytical test function. The tests highlighted several gradient operator choices that can consistently achieve 1st order accuracy regardless of cell type and shape. The tests further offered error comparisons for given cell types, leading to the observation that the "ideal" gradient operator choice is not universal. Practical implications of the results are explored via CFD solutions of a 2D inviscid standing vortex, portraying the discretization error properties. A relatively naive, yet largely unexplored, approach of local curvilinear stencil transformation exhibited surprisingly favorable properties

  17. BLAZE-DEM: A GPU based Polyhedral DEM particle transport code

    CSIR Research Space (South Africa)

    Govender, Nicolin

    2013-05-01

    Full Text Available expensive and cannot be done in real time. This paper will discuss methods and algorithms that substantially reduce the computational run-time of such simulations. An example is the spatial partitioning and hashing algorithm that allows just the nearest...

  18. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsequioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    .... This study examines the ability of POSS to improve the mechanical and surface properties of three semicrystalline polymers, fluorinated ethylene-propylene (FEP), poly(vinylidene fluoride) (PVDF...

  19. Traversing every edge in each direction once, but not at once: Cubic (polyhedral graphs

    Directory of Open Access Journals (Sweden)

    Vladimir R. Rosenfeld

    2017-04-01

    Full Text Available A {\\em retracting-free bidirectional circuit} in a graph $G$ is a closed walk which traverses every edge exactly once in each direction and such that no edge is succeeded by the same edge in the opposite direction. Such a circuit revisits each vertex only in a number of steps. Studying the class $\\mathit{\\Omega}$ of all graphs admitting at least one retracting-free bidirectional circuit was proposed by Ore (1951 and is by now of practical use to nanotechnology. The latter needs in various molecular polyhedra that are constructed from a single chain molecule in the retracting-free way. Some earlier results for simple graphs, obtained by Thomassen and, then, by other authors, are specially refined by us for a cubic graph $Q$. Most of such refinements depend only on the number $n$ of vertices of $Q$.

  20. Morphology and Viscoelastic Properties of Polystyrene Blended with Fully Condensed Polyhedral Oligomeric Silsesquioxanes

    National Research Council Canada - National Science Library

    Namani, Madhu; Geng, Hai-Ping; Lee, Andre; Blanski, Rusty L

    2004-01-01

    .... Experiments were performed using a nearly-monodisperse molecular weight polystyrene (PS) blended with varying amounts of two fully condensed POSS molecules surrounded with phenethyl and styrenyl groups...

  1. The optimum expression for the gravitational potential of polyhedral bodies having a linearly varying density distribution

    NARCIS (Netherlands)

    Prutkin, I.; Tenzer, R.

    2009-01-01

    When topography is represented by a simple regular grid digital elevation model, the analytical rectangular prism approach is often used for a precise gravity field modelling at the vicinity of the computation point. However, when the topographical surface is represented more realistically, for

  2. Self-assembly of polyhedral metal–organic framework particles into three-dimensional ordered superstructures

    NARCIS (Netherlands)

    Avci, Civan; Imaz, Inhar; Carné-Sánchez, Arnau; Pariente, Jose Angel; Tasios, Nikos; Pérez-Carvajal, Javier; Alonso, Maria Isabel; Blanco, Alvaro; Dijkstra, M.; López, Cefe; Maspoch, Daniel

    Self-assembly of particles into long-range, three-dimensional, ordered superstructures is crucial for the design of a variety of materials, including plasmonic sensing materials, energy or gas storage systems, catalysts and photonic crystals. Here, we have combined experimental and simulation data

  3. Local analysis of hybrid systems on polyhedral sets with state-dependent switching

    Directory of Open Access Journals (Sweden)

    Leth John

    2014-06-01

    Full Text Available This paper deals with stability analysis of hybrid systems. Various stability concepts related to hybrid systems are introduced. The paper advocates a local analysis. It involves the equivalence relation generated by reset maps of a hybrid system. To establish a tangible method for stability analysis, we introduce the notion of a chart, which locally reduces the complexity of the hybrid system. In a chart, a hybrid system is particularly simple and can be analyzed with the use of methods borrowed from the theory of differential inclusions. Thus, the main contribution of this paper is to show how stability of a hybrid system can be reduced to a specialization of the well established stability theory of differential inclusions. A number of examples illustrate the concepts introduced in the paper.

  4. Facet-controlled synthesis of polyhedral hematite/carbon composites with enhanced photoactivity

    Science.gov (United States)

    Hu, Xiaoyi; Han, Sancan; Zhu, Yufang

    2018-06-01

    Much effort has been made to develop the semiconductor photocatalysis, but it is still challenging to fabricate low-cost and high-activity photocatalysts. In this study, Hematite (α-Fe2O3) with three kinds of morphologies including dodecahedron, tetrakaidecahedron and hexagonal nanoplates have been synthesized without any organic reagents. The photocatalytic performance reveals that the dodecahedron with exposed {1 0 1} facets is superior to the hexagonal nanoplates with predominant exposure of {0 0 1} facets in the case of similar BET surface area. For further enhancement of photocatalytic activity, carbon layer was coated on dodecahedral α-Fe2O3 through the self-polymerization of dopamine and following pyrolysis at 400 °C under Ar flow. Compared with the pristine dodecahedral α-Fe2O3, the α-Fe2O3/C composites exhibit stronger visible absorption, lower photoexcited electron-hole pairs recombination rate and better photodegradation activity. The photocatalytic performance showed the degradation rate of α-Fe2O3-D/4.5C is nearly 6 times higher than pristine α-Fe2O3, which have great potential for photocatalysis applications.

  5. Polyhedral charge-packing model for blood pH changes in disease ...

    African Journals Online (AJOL)

    packing pH zone' (From pH = 7.30, for tetrahedral, to pH = 7.65 for dodecahedral packing), which lies in the neighborhood of the well known physiological pH range. Literature is cited in support of pH 7.65 as the extreme upper limit of tolerable ...

  6. Rheological Behavior of Entangled Polystyrene-Polyhedral Oligosilsesquioxane (POSS) Copolymer (Postprint)

    Science.gov (United States)

    2006-08-24

    strong intermolecular interaction, such as hydrogen bonding, ion-ion interaction, and acid -base interaction, among others, the formation of physical cross...repeat units bearing a POSS branch). This is a very large packing length increase (71%). A similar increase (73%) is observed in polymethacrylates when the

  7. Polyhedral combinatorics of the cardinality constrained quadratic knapsack problem and the quadratic selective travelling salesman problem

    DEFF Research Database (Denmark)

    Mak, Vicky; Thomadsen, Tommy

    2006-01-01

    This paper considers the cardinality constrained quadratic knapsack problem (QKP) and the quadratic selective travelling salesman problem (QSTSP). The QKP is a generalization of the knapsack problem and the QSTSP is a generalization of the travelling salesman problem. Thus, both problems are NP...

  8. Morphology and Viscoelastic Properties of Polystyrene Blended with Fully Condensed Polyhedral Oligomeric Silsesquioxanes

    Science.gov (United States)

    2004-10-18

    NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) Madhu Namani ; Hai-Ping Geng; Andre Lee; Rusty Blanski 5d. PROJECT NUMBER 4847 5e...TASK NUMBER 0249 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) Air Force Research Laboratory (AFMC),AFRL/PRSM,10 E...Saturn Blvd.,Edwards AFB,CA,93524-7680 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME( S ) AND ADDRESS(ES) 10. SPONSOR

  9. Crystal engineering of giant molecules based on perylene diimide conjugated polyhedral oligomeric silsesquioxane nano-atom

    Science.gov (United States)

    Ren, He

    Molecular architectures and topologies are found contributing to the formation of supramolecular structures of giant molecules. Dr. Cheng's research group developed a diverse of giant molecules via precisely controlled chemistry synthetic routes. These giant molecules can be categorized into several different families, namely giant surfactants, giant shape amphiphiles and giant polyhedron. By analyzing the hierarchical structures of these carefully designed and precisely synthesized giant molecules, the structural factors which affect, or even dominates, in some cases, the formation of supramolecular structures are revealed in these intensive researches. The results will further contribute to the understanding of dependence of supramolecular structures on molecular designs as well as molecular topology, and providing a practical solution to the scaling up of microscopic molecular functionalities to macroscopic material properties. Molecular Nano Particles (MNPs), including fullerene (C60), POSS, Polyoxometalate (POM) and proteins etc., is defined and applied as a specific type of building blocks in the design and synthesis of giant molecules. The persistence in shape and symmetry is considered as one of the major properties of MNPs. This persistence will support the construction of giant molecules for further supramolecular structures' study by introducing specific shapes, or precisely located side groups which will facilitate self-assembling behaviors with pre-programmed secondary interactions. Dictating material physical properties by its chemical composition is an attractive yet currently failed approach in the study of materials. However, the pursuit of determining material properties by microscopic molecular level properties is never seized, and found its solution when the idea of crystal engineering is raised: should each atom in the material is located exactly where it is designed to be and is properly bonded, the property of the material is hence determined. In such "bottom-up" approach, the precise fabrication of 2 nm 100 nm nanostructures, is of great research interest. In this thesis, crystal engineering of giant molecules based on PDI conjugated POSS Nano-Atom (PDI-BPOSS) nano-atoms via self-assembly is performed and studied. Herein, three different giant molecules were synthesized: shape amphiphile, m-phenyl-(PDI-BPOSS)2 (S1) and tetrahedron, R-(PDI-BPOSS)4 (S2) and S-(PDI-BPOSS)4 (S3). Single crystals were grown for S1 and S2, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and transmission electron microscopy (TEM) were performed, and crystal structures of these samples were determined, while hexagonal superlattice without crystal order can be observed for S3 to exhibit crystal-like morphology.

  10. Functionalization of Fluoroalkyl Polyhedral Oligomeric Silsesquioxanes (F-POSS) (Post Print)

    Science.gov (United States)

    2012-08-01

    7Si7O9(ONa)3, has been derivatized with long-chain fluorinated trichlorosilanes to produce low surface energy materials (8). However, these shorter propyl ...such as tetrahydrofuran and chloroform . Currently a more in-depth analysis of these polymerizations is being undertaken. Figure 16. Static contact

  11. Polyhedral charge-packing model for blood pH changes in disease ...

    African Journals Online (AJOL)

    Administrator

    2007-05-02

    May 2, 2007 ... The six negatively charged hydroxyl ions occupy the six vertices of the octahedron, while the lone proton,. H+, occupies the octahedral hole at the centroid. ... ge packing can account for the common pH of 7.4 of mammals, in spite of other differences that are well known (Jackson, 1997). In the original model ...

  12. Evaluation of pyrolysis curves for volatile elements in aqueous standards and carbon-containing matrices in electrothermal vaporization inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Silva, A.F. [Delft University of Technology, Faculty of Applied Sciences, DelftChemTech, Julianalaan 136, 2628 BL Delft (Netherlands); Universidade Federal de Santa Catarina, Departamento de Quimica, 88040-900 Florianopolis, SC (Brazil); Welz, B. [Universidade Federal de Santa Catarina, Departamento de Quimica, 88040-900 Florianopolis, SC (Brazil); Loos-Vollebregt, M.T.C. de [Delft University of Technology, Faculty of Applied Sciences, DelftChemTech, Julianalaan 136, 2628 BL Delft (Netherlands)], E-mail: m.t.c.deloos-vollebregt@tudelft.nl

    2008-07-15

    Pyrolysis curves in electrothermal atomic absorption spectrometry (ET AAS) and electrothermal vaporization inductively coupled plasma mass spectrometry (ETV-ICP-MS) have been compared for As, Se and Pb in lobster hepatopancreas certified reference material using Pd/Mg as the modifier. The ET AAS pyrolysis curves confirm that the analytes are not lost from the graphite furnace up to a pyrolysis temperature of 800 deg. C. Nevertheless, a downward slope of the pyrolysis curve was observed for these elements in the biological material using ETV-ICP-MS. This could be related to a gain of sensitivity at low pyrolysis temperatures due to the matrix, which can act as carrier and/or promote changes in the plasma ionization equilibrium. Experiments with the addition of ascorbic acid to the aqueous standards confirmed that the higher intensities obtained in ETV-ICP-MS are related to the presence of organic compounds in the slurry. Pyrolysis curves for As, Se and Pb in coal and coal fly ash were also investigated using the same Pd/Mg modifier. Carbon intensities were measured in all samples using different pyrolysis temperatures. It was observed that pyrolysis curves for the three analytes in all slurry samples were similar to the corresponding graphs that show the carbon intensity for the same slurries for pyrolysis temperatures from 200 deg. C up to 1000 deg. C.

  13. Kinetic study of the reaction of uranium with various carbon-containing gases; Etude cinetique de la reaction sur l'uranium de differents gaz carbones

    Energy Technology Data Exchange (ETDEWEB)

    Feron, G [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1963-09-15

    The kinetic study of the reaction U + CO{sub 2} and U + CO has been performed by a thermogravimetric method on a spherical uranium powder, in temperature ranges respectively from 460 to 690 deg. C and from 570 to 850 deg. C. The reaction with carbon dioxide leads to uranium dioxide. A carbon deposition takes place at the same time. The global reactions is the result of two reactions: U + 2 CO{sub 2} {yields} UO{sub 2} + 2 CO U + CO{sub 2} {yields} UO{sub 2} + C The reaction with carbon monoxide leads to a mixture of dioxide UO{sub 2}, dicarbide UC{sub 2} and free carbon. The main reaction can be written. U + CO {yields} 1/2 UO{sub 2} + 1/2 UC{sub 2} The free carbon results of the disproportionation of the carbon monoxide. A remarkable separation of the two phases UO{sub 2} and UC{sub 2} can be observed. A mechanism accounting for the phenomenon has been proposed. The two reactions U + CO{sub 2} and U + CO begin with a long germination period, after which, the reaction velocity seems to be limited in both cases by the ionic diffusion of oxygen through the uranium dioxide. (author) [French] L'etude cinetique des reactions U sol + CO{sub 2} gaz et U sol + CO gaz a ete effectuee par thermogravirnetrie sur une poudre d'uranium a grains spheriques, les domaines de temperature etudies s'etendant respectivement de 460 a 690 deg. C et de 570 a 850 deg. C. L'action du dioxyde de carbone conduit au dioxyde d'uranium UO{sub 2}; il se produit en meme temps un depot de carbone. La reaction globale resulte des deux reactions: U + 2 CO{sub 2} {yields} UO{sub 2} + 2 CO U + CO{sub 2} {yields} UO{sub 2} + C Le mono-oxyde de carbone conduit a un melange de dioxyde UO{sub 2}, de dicarbure UC{sub 2} et de carbone libre. La reaction principale s'ecrit: U + CO {yields} 1/2 UO{sub 2} + 1/2 UC{sub 2} Le carbone libre provient de la dismutation du mono-oxyde de carbone. On observe une separation remarquable des deux phases UO{sub 2} et UC{sub 2}; un mecanisme rendant compte de ce phenomene a ete propose. Les deux reactions U + CO{sub 2} et U + CO, debutent par une longue periode de germination, apres laquelle la vitesse de la reaction semble etre limitee dans les deux cas par la diffusion d'ions O{sup 2-} dans l'oxyde UO{sub 2} forme. (auteur)

  14. An assessment of biodegradability of quaternary carbon-containing fragrance compounds: comparison of experimental OECD screening test results and in silico prediction data.

    Science.gov (United States)

    Seyfried, Markus; Boschung, Alain

    2014-05-01

    An assessment of biodegradability was carried out for fragrance substances containing quaternary carbons by using data obtained from Organisation for Economic Co-operation and Development (OECD) 301F screening tests for ready biodegradation and from Biowin and Catalogic prediction models. Despite an expected challenging profile, a relatively high percentage of common-use fragrance substances showed significant biodegradation under the stringent conditions applied in the OECD 301F test. Among 27 test compounds, 37% met the pass level criteria after 28 d, while another 26% indicated partial breakdown (≥20% biodegradation). For several compounds for which structural analogs were available, the authors found that structures that were rendered less water soluble by either the presence of an acetate ester or the absence of oxygen tended to degrade to a lesser extent compared to the primary alcohols or oxygenated counterparts under the test conditions applied. Difficulties were encountered when attempting to correlate experimental with in silico data. Whereas the Biowin model combinations currently recommended by regulatory agencies did not allow for a reliable discrimination between readily and nonbiodegradable compounds, only a comparably small proportion of the chemicals studied (30% and 63% depending on the model) fell within the applicability domain of Catalogic, a factor that critically reduced its predictive power. According to these results, currently neither Biowin nor Catalogic accurately reflects the potential for biodegradation of fragrance compounds containing quaternary carbons. © 2014 SETAC.

  15. Environmental protection and recovery of valuable feedstocks using carbon containing adsorbents. Developments and trends of Bergbau-Forschung GmbH

    Energy Technology Data Exchange (ETDEWEB)

    Knoblauch, K; Richter, E

    1986-06-01

    Activated carbons, active cokes and carbon molecular sieves are used for regenerative processes for environmental protection and for processing of valuable feedstocks. Development of adsorption processes and their lay-out base on adsorption equilibria, adsorption kinetics, kinetics of desorption by heating, depressurization or purging not only as single steps but in the same combination as in the regenerative process. For example, some adsorption processes are described which are applied in pilot scale or industrially: Nitrogen production from air by pressure swing adsorption (PSA); Hydrogen production from coke oven gas by PSA; Upgrading of methane from biogas and from fire damp; Removal of hydrogen sulfide from biogas; Removal of sulfur dioxide and nitrogen oxides from flue gases and drinking water supply and waste water treatment.

  16. Polyhedral Oligomeric Silsesquioxane (POSS) Dianiline as a Replacement for Toxic Methylenedianiline in PMR-15: Chemistry and Properties

    Science.gov (United States)

    2016-08-22

    integrals in the 5.9-6.3ppm region, which correspond to the pair of protons on the double bond of the nadic anhydride endcap, were calibrated to 4. This was...Chapter 4. A piston was inserted into the mold cavity and the mold assembly was placed into a 1-ton heated press to cure. With minimal pressure applied...5824. Web. Wu, S. “Synthesis and Characterization of Semiaromatic Polyimides Containing POSS in Main Chain Derived from Double -Decker-Shaped

  17. Synthesis of defined polyhedral oligosilsesquioxane-containing diblock and triblock methacrylate copolymers by atom transfer radical polymerization

    Czech Academy of Sciences Publication Activity Database

    Janata, Miroslav; Sikora, Antonín; Látalová, Petra; Čadová, Eva; Raus, Vladimír; Matějka, Libor; Vlček, Petr

    2013-01-01

    Roč. 128, č. 6 (2013), s. 4294-4301 ISSN 0021-8995 R&D Projects: GA ČR GAP106/12/0844; GA ČR GAP108/12/1459 Institutional support: RVO:61389013 Keywords : copolymers * nanostructured polymers * radical polymerization Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.640, year: 2013

  18. Epoxy networks reinforced with polyhedral oligomeric silsesquioxanes: structure and segmental dynamics as studied by solid-state NMR

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří; Urbanová, Martina; Strachota, Adam

    2008-01-01

    Roč. 41, č. 2 (2008), s. 372-386 ISSN 0024-9297 R&D Projects: GA AV ČR IAA400500602 Institutional research plan: CEZ:AV0Z40500505 Keywords : solid-state NMR * polymer networks * polysilsequioxanes Subject RIV: CD - Macromolecular Chemistry Impact factor: 4.407, year: 2008

  19. Improved algorithms and methods for room sound-field prediction by acoustical radiosity in arbitrary polyhedral rooms

    Science.gov (United States)

    Nosal, Eva-Marie; Hodgson, Murray; Ashdown, Ian

    2004-08-01

    This paper explores acoustical (or time-dependent) radiosity-a geometrical-acoustics sound-field prediction method that assumes diffuse surface reflection. The literature of acoustical radiosity is briefly reviewed and the advantages and disadvantages of the method are discussed. A discrete form of the integral equation that results from meshing the enclosure boundaries into patches is presented and used in a discrete-time algorithm. Furthermore, an averaging technique is used to reduce computational requirements. To generalize to nonrectangular rooms, a spherical-triangle method is proposed as a means of evaluating the integrals over solid angles that appear in the discrete form of the integral equation. The evaluation of form factors, which also appear in the numerical solution, is discussed for rectangular and nonrectangular rooms. This algorithm and associated methods are validated by comparison of the steady-state predictions for a spherical enclosure to analytical solutions.

  20. Interpretation of the shape of electron diffraction spots from small polyhedral crystals by means of the crystal shape amplitude

    International Nuclear Information System (INIS)

    Neumann, W.; Hofmeister, H.; Heydenreich, J.; Komrska, J.

    1988-01-01

    The influence of the crystal shape on the fine structure of transmission electron diffraction (TED) patterns described by the crystal shape amplitude is discussed. A general algebraic expression for the crystal shape amplitude of any crystal polyhedron is used for computing the intensity distribution of TED reflections. The computer simulation method is applied to the analysis of the fine structure of TED patterns of small gold and palladium crystals having octahedral and tetrahedral habits. (orig.)

  1. Post-synthetic transformation of a Zn(ii) polyhedral coordination network into a new supramolecular isomer of HKUST-1.

    Science.gov (United States)

    Chen, Yao; Wojtas, Lukasz; Ma, Shengqian; Zaworotko, Michael J; Zhang, Zhenjie

    2017-08-03

    A Zn-based porphyrin containing metal-organic material (porphMOM-1) was transformed into a novel Cu-based porphyrin-encapsulating metal-organic material (porph@HKUST-1-β) via a one-pot post-synthetic modification (PSM) process involving both metal ion exchange and linker installation of trimesic acid. HKUST-1-β is the first example of yao topology and is to our knowledge the first supramolecular isomer of the archetypal coordination network HKUST-1.

  2. Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species

    Czech Academy of Sciences Publication Activity Database

    Franken, A.; Jelínek, Tomáš; Taylor, R.G.; Ormsby, D. L.; Kilner, C. A.; Clegg, W.; Kennedy, D. J.

    -, č. 48 (2006), s. 5733-5769 ISSN 1477-9226 Grant - others:EPSRC(GB) J/56929; EPSRC(GB) GR/L/49505; EPSRC(GB) R/61949 Institutional research plan: CEZ:AV0Z40320502 Keywords : magnetic-resonance spectroscopy * anion chemistry * molecular structure Subject RIV: CA - Inorganic Chemistry Impact factor: 3.012, year: 2006

  3. Effect of Polyhedral Oligomeric Silsesquioxane (POSS) Substituents on the Rheological Behavior in Butyl Methacrylate/POSS Copolymers

    Science.gov (United States)

    2008-10-27

    was repeated twice, dissolving the product in chloroform and diethyl ether, respectively. The polymer was dried at 60 °C under vacuum overnight...the Tg of the i Bu remains the same. Table 1. Tg for Butyl Methacrylate-co- Propyl Methacryl POSS Polymers with Various POSS Substituents

  4. Adsorption of small gas molecules on B36 nanocluster

    Indian Academy of Sciences (India)

    B36 cluster; Adsorption; Density functional theory; Gas molecules. 1. Introduction ... tural and chemical properties of boron clusters by com- putational methods and ..... systems in which the interaction is physical adsorption. (R>2 Å) are the ...

  5. Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.

    Science.gov (United States)

    Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A; Han, Jianlin; Pan, Yi

    2014-07-14

    Here we report that, unlike other ketones, 1-indanone and acetophenone derived enolates undergo Mannich-type addition reactions with N-tert-butanesulfinyl ketimines with excellent yields (up to 98%) and diastereoselectivity (>99/1). The resulting compounds represent a new type of biologically relevant β-aminoketone derivative bearing quaternary stereogenic carbon, which could be further converted into the corresponding β-amino ketones and β-amino alcohols, possessing three consecutive stereogenic centres.

  6. High-energy lithium-ion hybrid supercapacitors composed of hierarchical urchin-like WO3/C anodes and MOF-derived polyhedral hollow carbon cathodes.

    Science.gov (United States)

    Xu, Juan; Li, Yuanyuan; Wang, Lei; Cai, Qifa; Li, Qingwei; Gao, Biao; Zhang, Xuming; Huo, Kaifu; Chu, Paul K

    2016-09-22

    A lithium-ion hybrid supercapacitor (Li-HSC) comprising a Li-ion battery type anode and an electrochemical double layer capacitance (EDLC) type cathode has attracted much interest because it accomplishes a large energy density without compromising the power density. In this work, hierarchical carbon coated WO 3 (WO 3 /C) with a unique mesoporous structure and metal-organic framework derived nitrogen-doped carbon hollow polyhedra (MOF-NC) are prepared and adopted as the anode and the cathode for Li-HSCs. The hierarchical mesoporous WO 3 /C microspheres assembled by radially oriented WO 3 /C nanorods along the (001) plane enable effective Li + insertion, thus exhibit high capacity, excellent rate performance and a long cycling life due to their high Li + conductivity, electronic conductivity and structural robustness. The WO 3 /C structure shows a reversible specific capacity of 508 mA h g -1 at a 0.1 C rate (1 C = 696 mA h g -1 ) after 160 discharging-charging cycles with excellent rate capability. The MOF-NC achieved the specific capacity of 269.9 F g -1 at a current density of 0.2 A g -1 . At a high current density of 6 A g -1 , 92.4% of the initial capacity could be retained after 2000 discharging-charging cycles, suggesting excellent cycle stability. The Li-HSC comprising a WO 3 /C anode and a MOF-NC cathode boasts a large energy density of 159.97 W h kg -1 at a power density of 173.6 W kg -1 and 88.3% of the capacity is retained at a current density of 5 A g -1 after 3000 charging-discharging cycles, which are better than those previously reported for Li-HSCs. The high energy and power densities of the Li-HSCs of WO 3 /C//MOF-NC render large potential in energy storage.

  7. Post-synthetic transformation of a Zn( ii ) polyhedral coordination network into a new supramolecular isomer of HKUST-1

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yao [State Key Laboratory of Medicinal Chemical Biology; Nankai University; Tianjin 300071; P. R. China; College of Pharmacy; Wojtas, Lukasz [Department of Chemistry; University of South Florida; 4202 East Fowler Avenue; Tampa; USA; Ma, Shengqian [Department of Chemistry; University of South Florida; 4202 East Fowler Avenue; Tampa; USA; Zaworotko, Michael J. [Department of Chemistry & Environmental Sciences, Bernal Institute, University of Limerick; Limerick; Republic of Ireland; Zhang, Zhenjie [College of Chemistry, Nankai University; Tianjin; P. R. China; State Key Laboratory of Medicinal Chemical Biology; Nankai University

    2017-01-01

    A Zn-based porphyrin containing metal–organic material (porphMOM-1) was post-synthetically transformed into a Cu-based porphyrin-encapsulating metal–organic material (porph@HKUST-1-β).HKUST-1-βis a new supramolecular isomer ofHKUST-1.

  8. Functions, Compositions, and Evolution of the Two Types of Carboxysomes: Polyhedral Microcompartments That Facilitate CO2 Fixation in Cyanobacteria and Some Proteobacteria

    Science.gov (United States)

    Rae, Benjamin D.; Long, Benedict M.; Badger, Murray R.

    2013-01-01

    SUMMARY Cyanobacteria are the globally dominant photoautotrophic lineage. Their success is dependent on a set of adaptations collectively termed the CO2-concentrating mechanism (CCM). The purpose of the CCM is to support effective CO2 fixation by enhancing the chemical conditions in the vicinity of the primary CO2-fixing enzyme, d-ribulose 1,5-bisphosphate carboxylase/oxygenase (RubisCO), to promote the carboxylase reaction and suppress the oxygenase reaction. In cyanobacteria and some proteobacteria, this is achieved by encapsulation of RubisCO within carboxysomes, which are examples of a group of proteinaceous bodies called bacterial microcompartments. Carboxysomes encapsulate the CO2-fixing enzyme within the selectively permeable protein shell and simultaneously encapsulate a carbonic anhydrase enzyme for CO2 supply from a cytoplasmic bicarbonate pool. These bodies appear to have arisen twice and undergone a process of convergent evolution. While the gross structures of all known carboxysomes are ostensibly very similar, with shared gross features such as a selectively permeable shell layer, each type of carboxysome encapsulates a phyletically distinct form of RubisCO enzyme. Furthermore, the specific proteins forming structures such as the protein shell or the inner RubisCO matrix are not identical between carboxysome types. Each type has evolutionarily distinct forms of the same proteins, as well as proteins that are entirely unrelated to one another. In light of recent developments in the study of carboxysome structure and function, we present this review to summarize the knowledge of the structure and function of both types of carboxysome. We also endeavor to cast light on differing evolutionary trajectories which may have led to the differences observed in extant carboxysomes. PMID:24006469

  9. Formation of polyhedral ceria nanoparticles with enhanced catalytic CO oxidation activity in thermal plasma via a hydrogen mediated shape control mechanism

    International Nuclear Information System (INIS)

    Zheng Jie; Zhang Yaohua; Song Xubo; Li Xingguo

    2011-01-01

    Ceria nanoparticles with well defined facets are prepared in argon–hydrogen thermal plasma followed by controlled oxidation. With increasing hydrogen fraction in the plasma, a clear sphere-to-polyhedron shape transition is observed. The heat released during the hydrogenation of cerium, which significantly enhances the species mobility on the surface, favors the growth of well defined facets. The polyhedron ceria nanoparticles, though lower in specific surface area, exhibit superior catalytic performance for CO oxidation over the round particles, which is attributed to the higher density of the reactive {200} and {220} facets on the surface. The hydrogen mediated shape control mechanism provides new insights into the shape control of nanoparticles during thermal plasma processing.

  10. Polyhedral oligomeric butyl stannoxane cages (Sn-POSS) as oxidation-activated linear repairing units or crosslinking nano-building blocks, depending on structure of the polymer matrix

    Czech Academy of Sciences Publication Activity Database

    Rodzen, Krzysztof; Strachota, Adam; Raus, Vladimír; Pavlova, Ewa

    2017-01-01

    Roč. 142, August (2017), s. 1-20 ISSN 0141-3910 R&D Projects: GA ČR(CZ) GA17-05007S Institutional support: RVO:61389013 Keywords : POSS * stannoxane * nanocomposite Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.386, year: 2016

  11. Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

    International Nuclear Information System (INIS)

    Escobedo, Fernando A.

    2016-01-01

    The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

  12. Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality

    Energy Technology Data Exchange (ETDEWEB)

    Sergeeva, Alina P.; Popov, Ivan A.; Piazza, Zachary A.; Li, Wei-Li; Romanescu, Constantin; Wang, Lai S.; Boldyrev, Alexander I.

    2014-04-15

    Conspectus Boron is an interesting element with unusual polymorphism. While three-dimensional (3D) structural motifs are prevalent in bulk boron, atomic boron clusters are found to have planar or quasi-planar structures, stabilized by localized two-center–two-electron (2c–2e) σ bonds on the periphery and delocalized multicenter–two-electron (nc–2e) bonds in both σ and π frameworks. Electron delocalization is a result of boron’s electron deficiency and leads to fluxional behavior, which has been observed in B13+ and B19–. A unique capability of the in-plane rotation of the inner atoms against the periphery of the cluster in a chosen direction by employing circularly polarized infrared radiation has been suggested. Such fluxional behaviors in boron clusters are interesting and have been proposed as molecular Wankel motors. The concepts of aromaticity and antiaromaticity have been extended beyond organic chemistry to planar boron clusters. The validity of these concepts in understanding the electronic structures of boron clusters is evident in the striking similarities of the π-systems of planar boron clusters to those of polycyclic aromatic hydrocarbons, such as benzene, naphthalene, coronene, anthracene, or phenanthrene. Chemical bonding models developed for boron clusters not only allowed the rationalization of the stability of boron clusters but also lead to the design of novel metal-centered boron wheels with a record-setting planar coordination number of 10. The unprecedented highly coordinated borometallic molecular wheels provide insights into the interactions between transition metals and boron and expand the frontier of boron chemistry. Another interesting feature discovered through cluster studies is boron transmutation. Even though it is well-known that B–, formed by adding one electron to boron, is isoelectronic to carbon, cluster studies have considerably expanded the possibilities of new structures and new materials using the B

  13. Salts of Dodecamethylcarba-closo-dodecaborate(-) Anion, CB11Me12-, and the Radical Dodecamethylcarba-closo-dodecaboranyl, CB11Me12

    Czech Academy of Sciences Publication Activity Database

    Clayton, J. R.; King, B. T.; Zharov, I.; Fete, M. G.; Volkis, V.; Douvris, C.; Valášek, Michal; Michl, Josef

    2010-01-01

    Roč. 35, - (2010), s. 56-63 ISSN 0073-8077 Grant - others:NSF(US) CHE0446688; NSF(US) CHE0848477 Institutional research plan: CEZ:AV0Z40550506 Keywords : boron clusters * methylation * stable free radical Subject RIV: CF - Physical ; Theoretical Chemistry

  14. Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bidentate chelating (pyridine)N-C-C-C-S(H) motif

    Czech Academy of Sciences Publication Activity Database

    Teixidor, F.; Laromaine, A.; Kivekäs, R.; Sillanpää, R.; Viňas, C.; Vespalec, Radim; Horáková, Hana

    -, č. 3 (2008), s. 345-354 ISSN 1477-9226 R&D Projects: GA AV ČR IAA400310613; GA AV ČR KJB400310705 Institutional research plan: CEZ:AV0Z40310501 Keywords : boron cluster compound * transition metal * chirality Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.580, year: 2008

  15. C-halogenation of the closo-[CB11H12](-) anion

    Czech Academy of Sciences Publication Activity Database

    Janoušek, Zbyněk; Hilton, C. L.; Schreiber, P. J.; Michl, J.

    2002-01-01

    Roč. 67, č. 7 (2002), s. 1025-1034 ISSN 0010-0765 R&D Projects: GA MŠk LN00A028 Institutional research plan: CEZ:AV0Z4032918 Keywords : boranes * boron clusters * carboranes Subject RIV: CA - Inorganic Chemistry Impact factor: 0.848, year: 2002

  16. Synthesis, characterisation and some chemistry of C- and B-substituted carboxylic acids of cobalt bis(dicarbollide)

    Czech Academy of Sciences Publication Activity Database

    Nekvinda, Jan; Šícha, Václav; Hnyk, Drahomír; Grüner, Bohumír

    2014-01-01

    Roč. 43, č. 13 (2014), s. 5106-5120 ISSN 1477-9226 R&D Projects: GA AV ČR IAAX00320901 Institutional support: RVO:61388980 Keywords : BORON-CLUSTER COMPOUNDS * EFFICIENT EXTRACTANTS * ACTINIDE EXTRACTIONS Subject RIV: CA - Inorganic Chemistry Impact factor: 4.197, year: 2014

  17. Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Švec, Petr; Šícha, Václav; Padělková, Z.

    2012-01-01

    Roč. 41, č. 25 (2012), s. 7498-7512 ISSN 1477-9226 R&D Projects: GA AV ČR IAAX00320901; GA ČR GA104/09/0668 Institutional support: RVO:61388980 Keywords : X-ray diffraction * boron-cluster compounds * cobaltacarborane Subject RIV: CA - Inorganic Chemistry Impact factor: 3.806, year: 2012

  18. Syntheses of halogenated polyhedral phosphaboranes: crystal structure of conjuncto-3,3{sup '}-(closo-1,2-P{sub 2}B{sub 4}Br{sub 3}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Willi [Institut fuer Chemie, Universitaet Hohenheim, Garbenstrasse 30, 70599, Stuttgart (Germany)

    2017-04-18

    Co-pyrolysis of B{sub 2}Br{sub 4} with PBr{sub 3} at 480 C gave, in addition to the main product closo-1,2-P{sub 2}B{sub 4}Br{sub 4}, conjuncto-3,3{sup '}-(1,2-P{sub 2}B{sub 4}Br{sub 3}){sub 2} (1) and the twelve-vertex closo-1,7-P{sub 2}B{sub 10}Br{sub 10} (2), both in low yields. X-ray structure determination for 1 [triclinic, space-group P1 with a = 7.220(2) Aa, b = 7.232(2) Aa, c = 8.5839(15) Aa, α = 97.213(15) , β = 96.81(2) , γ = 94.07(2) and Z = 1] confirmed that 1 adopts a structure consisting of two symmetrically boron-boron linked distorted octahedra with the bridging boron atoms in the 3,3{sup '}-positions and the phosphorus atoms in the 1,2-positions. The intercluster 2e/2c B-B bond length is 1.61(3) Aa. The shortest boron-boron bond within the cluster framework is 1.68(2) Aa located between the boron atoms antipodal to the phosphorus atoms. The icosahedral phosphaborane 2 was characterized by {sup 11}B-{sup 11}B COSY NMR spectroscopy showing cross peaks indicative for the isomer with the phosphorus atoms in 1,7-positions. Both the X-ray data of 1 and the NMR spectroscopic data of 1 and 2 give further evidence for the influence of an antipodal effect of heteroatoms to cross-cage boron atoms and, vice versa, of an additional shielding of the phosphorus atoms caused by B-Hal substitution at the boron positions trans to phosphorus. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Electrochemistry of closo-dodecaborate dianion and its simple exo-skeletal derivatives at carbon electrodes in aqueous phosphate buffers

    Czech Academy of Sciences Publication Activity Database

    Fojt, Lukáš; Fojta, Miroslav; Grüner, Bohumír; Vespalec, Radim

    2013-01-01

    Roč. 707, OCT152013 (2013), s. 38-42 ISSN 1572-6657 R&D Projects: GA ČR(CZ) GBP206/12/G151 Institutional research plan: CEZ:AV0Z50040702 Institutional support: RVO:68081707 ; RVO:61388980 Keywords : Boron cluster * Dodecarborate * Glasy carbon electrode Subject RIV: BO - Biophysics; CA - Inorganic Chemistry (UACH-T) Impact factor: 2.871, year: 2013

  20. Nanomodified Carbon/Carbon Composites for Intermediate Temperature

    Science.gov (United States)

    2007-08-31

    7] Properties Values Appearance Light yellow liquid (material is waxy at room temperature) Specific Gravity 1.245 Ionic Cl (ppm) ᝺ Ionic Na and K...and several types of nanoparticles: chemically modified montmorillonite (MMT) organoclays, polyhedral oligomeric silsesquioxanes (POSS®), carbon...montmorillonite (MMT) organoclays, carbon nanofibers, polyhedral oligomeric silsesquioxanes (POSS®), nanosilica, nano- silicon carbide (n-SiC), and

  1. Design with Nonlinear Constraints

    KAUST Repository

    Tang, Chengcheng

    2015-01-01

    . The first application is the design of meshes under both geometric and static constraints, including self-supporting polyhedral meshes that are not height fields. Then, with a formulation bridging mesh based and spline based representations, the application

  2. Design of self-supporting surfaces

    KAUST Repository

    Vouga, Etienne; Hö binger, Mathias; Wallner, Johannes; Pottmann, Helmut

    2012-01-01

    us to close connections between diverse topics in discrete differential geometry, such as a finite-element discretization of the Airy stress potential, perfect graph Laplacians, and computing admissible loads via curvatures of polyhedral surfaces

  3. A meromorphic extension of Oka-Weil approximation in a Stein manifold

    International Nuclear Information System (INIS)

    Lutterodt, C.H.

    1988-06-01

    The results concerning the generalization of the Oka-Weil approximation theorem over a polynomial polyhedron using as a basic tool a Montessus-type theorem are extended to an analytic polyhedral subset in some Stein manifold X. 9 refs

  4. Fulltext PDF

    Indian Academy of Sciences (India)

    the other hand, is intimately related to polyhedral theory and aspects of ... sential task of linear programming. We now .... Many large-scale linear programmes were formu- lated and .... results in mind~} = O. Thus the second, third and fourth.

  5. On the relation between flexibility analysis and robust optimization for linear systems

    KAUST Repository

    Zhang, Qi; Grossmann, Ignacio E.; Lima, Ricardo

    2016-01-01

    Flexibility analysis and robust optimization are two approaches to solving optimization problems under uncertainty that share some fundamental concepts, such as the use of polyhedral uncertainty sets and the worst-case approach to guarantee

  6. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Mannix, A. J.; Zhou, X. -F.; Kiraly, B.; Wood, J. D.; Alducin, D.; Myers, B. D.; Liu, X.; Fisher, B. L.; Santiago, U.; Guest, J. R.; Yacaman, M. J.; Ponce, A.; Oganov, A. R.; Hersam, M. C.; Guisinger, N. P.

    2015-12-17

    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.

  7. Shift of the gap energy and thermal conductivity in BGaAs/GaAs alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ilahi, S., E-mail: ilehi_soufiene@yahoo.fr [Unité de Recherche de Caractérisation Photothermique, Institut Préparatoire aux Etudes d' Ingénieurs de Nabeul (IPEIN), Université de Carthage (Tunisia); Saidi, F.; Hamila, R. [Université de Monastir, Laboratoire de Micro-Optoélectronique et Nanostructures, Faculté des Sciences de Monastir, Avenue de l' Environnement, Monastir 5019 (Tunisia); Yacoubi, N. [Unité de Recherche de Caractérisation Photothermique, Institut Préparatoire aux Etudes d' Ingénieurs de Nabeul (IPEIN), Université de Carthage (Tunisia); Maaref, H. [Université de Monastir, Laboratoire de Micro-Optoélectronique et Nanostructures, Faculté des Sciences de Monastir, Avenue de l' Environnement, Monastir 5019 (Tunisia); Auvray, L. [Laboratoire Multimateriaux et Interfaces, Université Claude Bernard Lyon I, 43, Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex (France)

    2013-07-15

    Optical and thermal properties of BGaAs/GaAs alloys grown by metal organic chemical vapor deposition (MOCVD) have been studied using both photothermal deflection spectroscopy (PDS) and photoluminescence spectroscopy (PL). It is found that gap energy decrease when increasing the boron composition. Then, the difference between the measured values of gap energies from PDS and PL is linked to the band tails above the conduction band formed by boron clustering in this structure. Indeed, a decrease in thermal conductivity with increasing the boron composition have been also shown and discussed.

  8. QM/MM Calculations Reveal the Different Nature of the Interaction of Two Carborane-Based Sulfamide Inhibitors of Human Carbonic Anhydrase II

    Czech Academy of Sciences Publication Activity Database

    Pecina, Adam; Lepšík, Martin; Řezáč, Jan; Brynda, Jiří; Mader, Pavel; Řezáčová, Pavlína; Hobza, Pavel; Fanfrlík, Jindřich

    2013-01-01

    Roč. 117, č. 50 (2013), s. 16096-16104 ISSN 1520-6106 R&D Projects: GA ČR GBP208/12/G016 Grant - others:Operational Program Research and Development for Innovations(XE) CZ 1.05/2.1.00/03/0058 Institutional support: RVO:61388963 ; RVO:68378050 Keywords : neutron-capture therapy * dodecaborate cluster lipids * boron clusters Subject RIV: CF - Physical ; Theoretical Chemistry ; EB - Genetics ; Molecular Biology (UMG-J) Impact factor: 3.377, year: 2013

  9. Planar CoB18- Cluster: a New Motif for - and Metallo-Borophenes

    Science.gov (United States)

    Chen, Teng-Teng; Jian, Tian; Lopez, Gary; Li, Wan-Lu; Chen, Xin; Li, Jun; Wang, Lai-Sheng

    2016-06-01

    Combined Photoelectron Spectroscopy (PES) and theoretical calculations have found that anion boron clusters (Bn-) are planar and quasi-planar up to B25-. Recent works show that anion pure boron clusters continued to be planar at B27-,B30-,B35- and B36-. B35- and B36- provide the first experimental evidence for the viability of the two-dimensional (2D) boron sheets (Borophene). The 2D to three-dimensional (3D) transitions are shown to happen at B40-,B39- and B28-, which possess cage-like structures. These fullerene-like boron cage clusters are named as Borospherene. Recently, borophenes or similar structures are claimed to be synthesized by several groups. Following an electronic design principle, a series of transition-metal-doped boron clusters (M©Bn-, n=8-10) are found to possess the monocyclic wheel structures. Meanwhile, CoB12- and RhB12- are revealed to adopt half-sandwich-type structures with the quasi-planar B12 moiety similar to the B12- cluster. Very lately, we show that the CoB16- cluster possesses a highly symmetric Cobalt-centered drum-like structure, with a new record of coordination number at 16. Here we report the CoB18- cluster to possess a unique planar structure, in which the Co atom is doped into the network of a planar boron cluster. PES reveals that the CoB18- cluster is a highly stable electronic system with the first adiabatic detachment energy (ADE) at 4.0 eV. Global minimum searches along with high-level quantum calculations show the global minimum for CoB18- is perfectly planar and closed shell (1A1) with C2v symmetry. The Co atom is bonded with 7 boron atoms in the closest coordination shell and the other 11 boron atoms in the outer coordination shell. The calculated vertical detachment energy (VDE) values match quite well with our experimental results. Chemical bonding analysis by the Adaptive Natural Density Partitioning (AdNDP) method shows the CoB18- cluster is π-aromatic with four 4-centered-2-electron (4c-2e) π bonds and one 19

  10. Cobalt bis(dicarbollide) ions with covalently bonded CMPO groups as selective extraction agents for lanthanide and actinide cations from highly acidic nuclear waste solutions

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Plešek, Jaromír; Báča, Jiří; Císařová, I.; Dozol, J. F.; Rouquette, H.; Vinas, C.; Selucký, P.; Rais, J.

    2002-01-01

    Roč. 26, č. 10 (2002), s. 1519-1527 ISSN 1144-0546 R&D Projects: GA ČR GA104/99/1096; GA ČR GA104/01/0142; GA ČR GA203/99/M037; GA MŠk LN00A028 Institutional research plan: CEZ:AV0Z4032918 Keywords : LIQUID-CHROMATOGRAPHIC SEPARATIONS * BORON-CLUSTER COMPOUNDS * CALIXARENES Subject RIV: CA - Inorganic Chemistry Impact factor: 2.060, year: 2002

  11. Multifunctional Silica Nanoparticles Modified via Silylated-Decaborate Precursors

    Directory of Open Access Journals (Sweden)

    Fatima Abi-Ghaida

    2015-01-01

    Full Text Available A new class of multifunctional silica nanoparticles carrying boron clusters (10-vertex closo-decaborate and incorporating luminescent centers (fluorescein has been developed as potential probes/carriers for potential application in boron neutron capture therapy (BNCT. These silica nanoparticles were charged in situ with silylated-fluorescein fluorophores via the Stöber method and their surface was further functionalized with decaborate-triethoxysilane precursors. The resulting decaborate dye-doped silica nanoparticles were characterized by TEM, solid state NMR, DLS, nitrogen sorption, elemental analysis, and fluorescence spectroscopy.

  12. An interaction of the functionalized closo-borates with albumins: The protein fluorescence quenching and calorimetry study

    International Nuclear Information System (INIS)

    Losytskyy, Mykhaylo Yu.; Kovalska, Vladyslava B.; Varzatskii, Oleg A.; Kuperman, Marina V.; Potocki, Slawomir; Gumienna-Kontecka, Elzbieta; Zhdanov, Andrey P.; Yarmoluk, Sergiy M.; Voloshin, Yan Z.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolai T.; Elskaya, Anna V.

    2016-01-01

    An interaction of the boron clusters closo-borates K 2 [B 10 H 10 ], K 2 [B 12 H 12 ] and their functionalized derivatives with serum proteins human (HSA) and bovine (BSA) albumins and immonoglobulin IgG as well as globular proteins β-lactoglobulin and lysozyme was characterized. The steady state and time resolved protein fluorescence quenching studies point on the binding of the closo-borate arylamine derivatives to serum albumins and discrimination of other proteins. The mechanism of the albumin fluorescence quenching by the closo-borate arylamine derivatives was proposed. The complex formation between albumin and the closo-borate molecules has been confirmed by isothermal titration calorimetry (ITC). The compound (K 2 [B 10 H 10 ]) and its arylamine derivative both interact with HSA, have close values of K a (1.4 and 1.2×10 3 M −1 respectively) and Gibbs energy (−17.9 and −17.5 kJ/mol respectively). However, the arylamine derivative forms complex with the higher guest/host binding ratio (4:1) comparing to the parent closo-borate (2:1). - Highlights: • Complex formation between boron clusters closo-borates and albumins was confirmed. • Functional substituent of closo-borate strongly affects its complex with albumins. • Binding of arylamine closo-borates essentially quench the albumin fluorescence. • Mechanism of tryptophan emission quenching by arylamine closo-borates was proposed.

  13. A Comparative Theoretical and Computational Study on Robust Counterpart Optimization: I. Robust Linear Optimization and Robust Mixed Integer Linear Optimization

    Science.gov (United States)

    Li, Zukui; Ding, Ran; Floudas, Christodoulos A.

    2011-01-01

    Robust counterpart optimization techniques for linear optimization and mixed integer linear optimization problems are studied in this paper. Different uncertainty sets, including those studied in literature (i.e., interval set; combined interval and ellipsoidal set; combined interval and polyhedral set) and new ones (i.e., adjustable box; pure ellipsoidal; pure polyhedral; combined interval, ellipsoidal, and polyhedral set) are studied in this work and their geometric relationship is discussed. For uncertainty in the left hand side, right hand side, and objective function of the optimization problems, robust counterpart optimization formulations induced by those different uncertainty sets are derived. Numerical studies are performed to compare the solutions of the robust counterpart optimization models and applications in refinery production planning and batch process scheduling problem are presented. PMID:21935263

  14. Analysis of the Surface of Deposited Copper After Electroerosion Treatment

    Science.gov (United States)

    Ablyaz, T. R.; Simonov, M. Yu.; Shlykov, E. S.

    2018-03-01

    An electron microscope analysis of the surface of deposited copper is performed after a profiling-piercing electroerosion treatment. The deposited copper is treated with steel, duralumin, and copper electrode tools at different pulse energies. The treatment with the duralumin electrode produces on the treated surface a web-like structure and cubic-morphology polyhedral dimples about 10 μm in size. The main components of the surface treated with the steel electrode are developed polyhedral dimples with a size of 10 - 50 μm. After the treatment with the copper electrode the main components of the treated surface are large polyhedral dimples about 30 - 80 μm in size.

  15. Method of producing carbon coated nano- and micron-scale particles

    Science.gov (United States)

    Perry, W. Lee; Weigle, John C; Phillips, Jonathan

    2013-12-17

    A method of making carbon-coated nano- or micron-scale particles comprising entraining particles in an aerosol gas, providing a carbon-containing gas, providing a plasma gas, mixing the aerosol gas, the carbon-containing gas, and the plasma gas proximate a torch, bombarding the mixed gases with microwaves, and collecting resulting carbon-coated nano- or micron-scale particles.

  16. Research on the attitude detection technology of the tetrahedron robot

    Science.gov (United States)

    Gong, Hao; Chen, Keshan; Ren, Wenqiang; Cai, Xin

    2017-10-01

    The traditional attitude detection technology can't tackle the problem of attitude detection of the polyhedral robot. Thus we propose a novel algorithm of multi-sensor data fusion which is based on Kalman filter. In the algorithm a tetrahedron robot is investigated. We devise an attitude detection system for the polyhedral robot and conduct the verification of data fusion algorithm. It turns out that the minimal attitude detection system we devise could capture attitudes of the tetrahedral robot in different working conditions. Thus the Kinematics model we establish for the tetrahedron robot is correct and the feasibility of the attitude detection system is proven.

  17. Electrorheological fluids and methods

    Science.gov (United States)

    Green, Peter F.; McIntyre, Ernest C.

    2015-06-02

    Electrorheological fluids and methods include changes in liquid-like materials that can flow like milk and subsequently form solid-like structures under applied electric fields; e.g., about 1 kV/mm. Such fluids can be used in various ways as smart suspensions, including uses in automotive, defense, and civil engineering applications. Electrorheological fluids and methods include one or more polar molecule substituted polyhedral silsesquioxanes (e.g., sulfonated polyhedral silsesquioxanes) and one or more oils (e.g., silicone oil), where the fluid can be subjected to an electric field.

  18. Dense Pure Tungsten Fabricated by Selective Laser Melting

    Directory of Open Access Journals (Sweden)

    Dianzheng Wang

    2017-04-01

    Full Text Available Additive manufacturing using tungsten, a brittle material, is difficult because of its high melting point, thermal conductivity, and oxidation tendency. In this study, pure tungsten parts with densities of up to 18.53 g/cm3 (i.e., 96.0% of the theoretical density were fabricated by selective laser melting. In order to minimize balling effects, the raw polyhedral tungsten powders underwent a spheroidization process before laser consolidation. Compared with polyhedral powders, the spherical powders showed increased laser absorptivity and packing density, which helped in the formation of a continuous molten track and promoted densification.

  19. EVAPORATION FORM OF ICE CRYSTALS IN SUBSATURATED AIR AND THEIR EVAPORATION MECHANISM

    OpenAIRE

    ゴンダ, タケヒコ; セイ, タダノリ; Takehiko, GONDA; Tadanori, SEI

    1987-01-01

    The evaporation form and the evaporation mechanism of dendritic ice crystals grown in air of 1.0×(10)^5 Pa and at water saturation and polyhedral ice crystals grown in air of 4.0×10 Pa and at relatively low supersaturation are studied. In the case of dendritic ice crystals, the evaporation preferentially occurs in the convex parts of the crystal surfaces and in minute secondary branches. On the other hand, in the case of polyhedral ice crystals, the evaporation preferentially occurs in the pa...

  20. Organic non-aqueous cation-based redox flow batteries

    Science.gov (United States)

    Zhang, Lu; Huang, Jinhua; Burrell, Anthony

    2018-05-08

    The present invention provides a non-aqueous redox flow battery comprising a negative electrode immersed in a non-aqueous liquid negative electrolyte, a positive electrode immersed in a non-aqueous liquid positive electrolyte, and a cation-permeable separator (e.g., a porous membrane, film, sheet, or panel) between the negative electrolyte from the positive electrolyte. During charging and discharging, the electrolytes are circulated over their respective electrodes. The electrolytes each comprise an electrolyte salt (e.g., a lithium or sodium salt), a transition-metal free redox reactant, and optionally an electrochemically stable organic solvent. Each redox reactant is selected from an organic compound comprising a conjugated unsaturated moiety, a boron cluster compound, and a combination thereof. The organic redox reactant of the positive electrolyte comprises a tetrafluorohydroquinone ether compound or a tetrafluorocatechol ether compound.

  1. Folic acid derivatives for PET imaging and therapy addressing folate receptor positive tumors

    Energy Technology Data Exchange (ETDEWEB)

    Schieferstein, Hanno

    2013-07-01

    Folic acid, also known as vitamin B9, is the oxidized form of 5,6,7,8-tetrahydrofolate, which serves as methyl- or methylene donor (C1-building blocks) during DNA synthesis. Under physiological conditions the required amount of 5,6,7,8-tetrahydrofolate for survival of the cell is accomplished through the reduced folate carrier (RFC). In contrast, the supply of 5,6,7,8-tetrahydrofolate is insufficient under pathophysiological conditions of tumors due to an increased proliferation rate. Consequently, many tumor cells exhibit an (over)expression of the folate receptor. This phenomenon has been applied to diagnostics (PET, SPECT, MR) to image FR-positive tumors and on the other hand to treat malignancies related to a FR (over)expression. Based on this concept, a new {sup 18}F-labeled folate for PET imaging has been developed and was evaluated in vivo using tumor-bearing mice. The incorporation of oligoethylene spacers into the molecular structure led to a significant enhancement of the pharmacokinetics in comparison to previously developed {sup 18}F-folates. The liver uptake could be reduced by one sixth by remaining a tumor uptake of 3%ID/g leading to better contrast ratios. Encouraged by these results, a clickable {sup 18}F-labeled serine-based prosthetic group has been synthesized, again with the idea to improve the metabolic and pharmacokinetic profile of hydrophilic radiotracers. Therefore, an alkyne-carrying azido-functionalized serine derivative for coupling to biomolecules was synthesized and a chlorine leaving group for {sup 18}F-labeling, which could be accomplished using a microwave-assisted synthesis, a [K is contained in 2.2.2]{sup +}/carbonate system in DMSO. Radiochemical yields of 77±6% could be achieved. The promising results obtained from the FR-targeting concept in the diagnostic field have been transferred to the boron neutron capture therapy. Therefore, a folate derivative was coupled to different boron clusters and cell uptake studies were

  2. The fraction of substitutional boron in silicon during ion implantation and thermal annealing

    International Nuclear Information System (INIS)

    Caturla, M.J.; Johnson, M.D.; Diaz de la Rubia, T.

    1998-01-01

    We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics

  3. The role of silicon interstitials in the deactivation and reactivation of high concentration boron profiles

    Energy Technology Data Exchange (ETDEWEB)

    Aboy, Maria [Campus Miguel Delibes, University of Valladolid, 47011 Valladolid (Spain)]. E-mail: marabo@tel.uva.es; Pelaz, Lourdes [Campus Miguel Delibes, University of Valladolid, 47011 Valladolid (Spain); Marques, Luis A. [Campus Miguel Delibes, University of Valladolid, 47011 Valladolid (Spain); Lopez, Pedro [Campus Miguel Delibes, University of Valladolid, 47011 Valladolid (Spain); Barbolla, Juan [Campus Miguel Delibes, University of Valladolid, 47011 Valladolid (Spain); Venezia, V.C. [Philips Research Leuven, Leuven (Belgium); Duffy, R. [Philips Research Leuven, Leuven (Belgium); Griffin, Peter B. [Stanford University, Stanford, CA (United States)

    2004-12-15

    Boron cluster formation and dissolution in high concentration B profiles and the role of Si interstitials in these processes are analyzed by kinetic non-lattice Monte Carlo atomistic simulations. For this purpose, we use theoretical structures as simplifications of boron implants into preamorphized Si, followed by low-temperature solid phase epitaxial (SPE) regrowth or laser thermal annealing process. We observe that in the presence of high B concentrations (above 10{sup 20} cm{sup -3}), significant deactivation occurs during high temperature anneal, even in the presence of only equilibrium Si interstitials. The presence of additional Si interstitials from an end of range (EOR) damage region accelerates the deactivation process and makes B deactivation slightly higher. We show that B deactivation and reactivation processes can be clearly correlated to the evolution of Si interstitial defects at the EOR. The minimum level of activation occurs when the Si interstitial defects at EOR dissolve or form very stable defects.

  4. Organic non-aqueous cation-based redox flow batteries

    Science.gov (United States)

    Jansen, Andrew N.; Vaughey, John T.; Chen, Zonghai; Zhang, Lu; Brushett, Fikile R.

    2016-03-29

    The present invention provides a non-aqueous redox flow battery comprising a negative electrode immersed in a non-aqueous liquid negative electrolyte, a positive electrode immersed in a non-aqueous liquid positive electrolyte, and a cation-permeable separator (e.g., a porous membrane, film, sheet, or panel) between the negative electrolyte from the positive electrolyte. During charging and discharging, the electrolytes are circulated over their respective electrodes. The electrolytes each comprise an electrolyte salt (e.g., a lithium or sodium salt), a transition-metal free redox reactant, and optionally an electrochemically stable organic solvent. Each redox reactant is selected from an organic compound comprising a conjugated unsaturated moiety, a boron cluster compound, and a combination thereof. The organic redox reactant of the positive electrolyte is selected to have a higher redox potential than the redox reactant of the negative electrolyte.

  5. Folic acid derivatives for PET imaging and therapy addressing folate receptor positive tumors

    International Nuclear Information System (INIS)

    Schieferstein, Hanno

    2013-01-01

    Folic acid, also known as vitamin B9, is the oxidized form of 5,6,7,8-tetrahydrofolate, which serves as methyl- or methylene donor (C1-building blocks) during DNA synthesis. Under physiological conditions the required amount of 5,6,7,8-tetrahydrofolate for survival of the cell is accomplished through the reduced folate carrier (RFC). In contrast, the supply of 5,6,7,8-tetrahydrofolate is insufficient under pathophysiological conditions of tumors due to an increased proliferation rate. Consequently, many tumor cells exhibit an (over)expression of the folate receptor. This phenomenon has been applied to diagnostics (PET, SPECT, MR) to image FR-positive tumors and on the other hand to treat malignancies related to a FR (over)expression. Based on this concept, a new 18 F-labeled folate for PET imaging has been developed and was evaluated in vivo using tumor-bearing mice. The incorporation of oligoethylene spacers into the molecular structure led to a significant enhancement of the pharmacokinetics in comparison to previously developed 18 F-folates. The liver uptake could be reduced by one sixth by remaining a tumor uptake of 3%ID/g leading to better contrast ratios. Encouraged by these results, a clickable 18 F-labeled serine-based prosthetic group has been synthesized, again with the idea to improve the metabolic and pharmacokinetic profile of hydrophilic radiotracers. Therefore, an alkyne-carrying azido-functionalized serine derivative for coupling to biomolecules was synthesized and a chlorine leaving group for 18 F-labeling, which could be accomplished using a microwave-assisted synthesis, a [K is contained in 2.2.2] + /carbonate system in DMSO. Radiochemical yields of 77±6% could be achieved. The promising results obtained from the FR-targeting concept in the diagnostic field have been transferred to the boron neutron capture therapy. Therefore, a folate derivative was coupled to different boron clusters and cell uptake studies were conducted. The synthesis of

  6. Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

    Energy Technology Data Exchange (ETDEWEB)

    Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y. [Department of Physics and Astronomy, University of Louisville, Louisville, Kentucky 40292 (United States)

    2015-03-28

    An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B{sub N} with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B{sub 12} units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.

  7. An interaction of the functionalized closo-borates with albumins: The protein fluorescence quenching and calorimetry study

    Energy Technology Data Exchange (ETDEWEB)

    Losytskyy, Mykhaylo Yu., E-mail: mlosytskyy@gmail.com [Institute of Molecular Biology and Genetics, NASU, 150 Zabolotnogo Street, 03143 Kyiv (Ukraine); Kovalska, Vladyslava B. [Institute of Molecular Biology and Genetics, NASU, 150 Zabolotnogo Street, 03143 Kyiv (Ukraine); Varzatskii, Oleg A. [V. I. Vernadsky Institute of General and Inorganic Chemistry, 32/34 Palladin Avenue, 03080 Kyiv (Ukraine); Kuperman, Marina V. [Institute of Molecular Biology and Genetics, NASU, 150 Zabolotnogo Street, 03143 Kyiv (Ukraine); Potocki, Slawomir; Gumienna-Kontecka, Elzbieta [Faculty of Chemistry, Wroclaw University, 14F. Joliot-Curie Street, 50-383 Wroclaw (Poland); Zhdanov, Andrey P. [Kurnakov Institute of General and Inorganic Chemistry, 31 Leninskii Avenue, 119991 Moscow (Russian Federation); Yarmoluk, Sergiy M. [Institute of Molecular Biology and Genetics, NASU, 150 Zabolotnogo Street, 03143 Kyiv (Ukraine); Voloshin, Yan Z. [Nesmeyanov Institute of Organoelement Compounds, 28 Vavilova Street, 119991 Moscow (Russian Federation); Zhizhin, Konstantin Yu.; Kuznetsov, Nikolai T. [Kurnakov Institute of General and Inorganic Chemistry, 31 Leninskii Avenue, 119991 Moscow (Russian Federation); Elskaya, Anna V. [Institute of Molecular Biology and Genetics, NASU, 150 Zabolotnogo Street, 03143 Kyiv (Ukraine)

    2016-01-15

    An interaction of the boron clusters closo-borates K{sub 2}[B{sub 10}H{sub 10}], K{sub 2}[B{sub 12}H{sub 12}] and their functionalized derivatives with serum proteins human (HSA) and bovine (BSA) albumins and immonoglobulin IgG as well as globular proteins β-lactoglobulin and lysozyme was characterized. The steady state and time resolved protein fluorescence quenching studies point on the binding of the closo-borate arylamine derivatives to serum albumins and discrimination of other proteins. The mechanism of the albumin fluorescence quenching by the closo-borate arylamine derivatives was proposed. The complex formation between albumin and the closo-borate molecules has been confirmed by isothermal titration calorimetry (ITC). The compound (K{sub 2}[B{sub 10}H{sub 10}]) and its arylamine derivative both interact with HSA, have close values of K{sub a} (1.4 and 1.2×10{sup 3} M{sup −1} respectively) and Gibbs energy (−17.9 and −17.5 kJ/mol respectively). However, the arylamine derivative forms complex with the higher guest/host binding ratio (4:1) comparing to the parent closo-borate (2:1). - Highlights: • Complex formation between boron clusters closo-borates and albumins was confirmed. • Functional substituent of closo-borate strongly affects its complex with albumins. • Binding of arylamine closo-borates essentially quench the albumin fluorescence. • Mechanism of tryptophan emission quenching by arylamine closo-borates was proposed.

  8. 3D analytical field calculation using triangular magnet segments applied to a skewed linear permanent magnet actuator

    NARCIS (Netherlands)

    Janssen, J.L.G.; Paulides, J.J.H.; Lomonova, E.

    2010-01-01

    This paper presents novel analytical expressions which describe the 3D magnetic field of arbitrarily magnetized triangular-shaped charged surfaces. These versatile expressions are suitable to model triangularshaped permanent magnets and can be expanded to any polyhedral shape. Many applications are

  9. Photocatalytic properties of KBiO3 and LiBiO3 with tunnel structures

    Indian Academy of Sciences (India)

    ning Electron Microscopy (SEM), BET surface area analysis and Diffuse Reflectance Spectroscopy (DRS). The. XRD patterns ... The SEM images reveal micron size polyhedral shaped ... based compounds such as BiVO4, Bi2WO6, Bi2MoO6,.

  10. Fulltext PDF

    Indian Academy of Sciences (India)

    Octa-molybdate; X-ray diffraction; electrochemical measurements; crystal structure; polyoxometalates. 1. ... Bottom Right: Polyhedral representation showing the eight corner- and edge- sharing {MoO6} ..... Figure 6. View of the 3-D supramolecular architecture of 1 by means of hydrogen bonding interactions. Table 4.

  11. Comparative architecture of octahedral protein cages. I. Indexed enclosing forms

    Science.gov (United States)

    Janner, A.

    2008-07-01

    The architecture of four protein cages (bacterio ferritin, human mitochondrial ferritin, sulfur oxygenase reductase and small heat-shock protein) are compared top-to-bottom, starting from polyhedra with vertices at cubic lattice points enclosing the cage down to indexed polyhedral forms of single monomers.

  12. Browse Title Index

    African Journals Online (AJOL)

    Items 201 - 250 of 990 ... I: Synthesis, characterization and thermal properties of a novel polyhedral cubic silsesquioxane, Abstract PDF. Enock O. Dare, Gabriel A. Olatunji, David S. .... Vol 25, No 2 (2011), Saturated properties prediction in critical region by a quartic equation of state, Abstract PDF. Yong Wang, Guo-bo Huang, ...

  13. Monocrystallomimicry in the aerosols of ammonium and cesium halides

    International Nuclear Information System (INIS)

    Melikhov, I.V.; Kitova, E.N.; Kozlovskaya, EhD.; Kamenskaya, A.N.; Mikheev, N.B.; Kulyukhin, S.A.

    1997-01-01

    It is experimentally shown that initial CsI and NH 4 Hal nanocrystals combining into mixed aggregates of polyhedral form (pseudo monocrystals) are formed in the process of cocrystallization of ammonium halide and cesium iodide. The origination and growth of the pseudo monocrystals on the account of successive addition of initial crystals is described by the Fokker-Plank equation [ru

  14. Formation of nanoscale tungsten oxide structures and colouration ...

    Indian Academy of Sciences (India)

    The X-ray diffraction, together with transmission electron microscopic studies have revealed formation of regular polyhedral nanocrystalline ..... For molecular structure and orientation determination, the ... self-similarity within a complicated system. ..... Hummel R I 1997 Handbook of optical properties: Optics of small particles ...

  15. Lossy gossip and composition of metrics

    NARCIS (Netherlands)

    Brouwer, A.E.; Draisma, J.; Frenk, B.J.

    2015-01-01

    We study the monoid generated by n × n distance matrices under tropical (or min-plus) multiplication. Using the tropical geometry of the orthogonal group, we prove that this monoid is a finite polyhedral fan of dimension $(\\begin{array}{c} n \\\\ 2 \\end{array})$ , and we compute the structure of this

  16. A computational method for sharp interface advection

    DEFF Research Database (Denmark)

    Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

    2016-01-01

    We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volu...

  17. Uniqueness in inverse elastic scattering with finitely many incident waves

    International Nuclear Information System (INIS)

    Elschner, Johannes; Yamamoto, Masahiro

    2009-01-01

    We consider the third and fourth exterior boundary value problems of linear isotropic elasticity and present uniqueness results for the corresponding inverse scattering problems with polyhedral-type obstacles and a finite number of incident plane elastic waves. Our approach is based on a reflection principle for the Navier equation. (orig.)

  18. Theoretical Studies of Group IVA and Group IVB Chemistry

    Science.gov (United States)

    2012-01-13

    novel ionic liquids . We have performed very high level CCSD(T) calculations on one such species, Al13- to predict its ionization potential in nearly...Precursors. Polyhedral oligomeric silsesquioxanes (POSS) are three- dimensional Si-O cage compounds that have many uses, because of their resistance

  19. MURI Center for Materials Chemistry in the Space Environment

    Science.gov (United States)

    2006-11-30

    ionic species in relevant reaction environments, surface photochemistry expertise, synchrotron-based measurement and irradiation, synthesis of structural...and Ne+ ions with dodecanethiolate and semifluorinated dodecanethiolate self-assembled monolayers (SAM), polyhedral oligomeric silsesquioxane (POSS...POSS/Kapton models as gas phase species, and with alkane thiol self assembled monolayers on gold surfaces, and with liquid squalane. We have also

  20. Experimental Validation of a Coupled Fluid-Multibody Dynamics Model for Tanker Trucks

    Science.gov (United States)

    2007-11-08

    PFEM ) [17] in which the particles are used to generate a polyhedral finite element mesh every time step using an extended Delaunay tesselation. The...interpolation of the solution field onto the new mesh. • Particle methods require a large number of particles to accurately model the free surface. The PFEM

  1. A Platonic Sextet for Strings

    Science.gov (United States)

    Schaffer, Karl

    2012-01-01

    The use of traditional string figures by the Dr. Schaffer and Mr. Stern Dance Ensemble led to experimentation with polyhedral string constructions. This article presents a series of polyhedra made with six loops of three colors which sequence through all the Platonic Solids.

  2. Dendrimer based hybrid materials : coexistence of amorphous calcium carbonate and calcite

    NARCIS (Netherlands)

    Donners, J.J.J.M.; Heywood, B.R.; Meijer, E.W.; Nolte, R.J.M.; Sommerdijk, N.A.J.M.

    1999-01-01

    The crystn. of inorg. materials using polymers as templates is an interesting method to prep. composite materials with unique properties. Poly(propyleneimine) dendrimers are well-defined and highly-branched macromols. with regular and easily modifiable surfaces. Polyhedral aggregates from

  3. 3D Analytical field calculation using triangular magnet segments applied to a skewed linear permanent magnet actuator

    NARCIS (Netherlands)

    Janssen, J.L.G.; Paulides, J.J.H.; Lomonova, E.

    2009-01-01

    This paper presents novel analytical expressions which describe the 3D magnetic field of arbitrarily magnetized triangular-shaped charged surfaces. These versatile expressions are suitable to model triangularshaped permanent magnets and can be expanded to any polyhedral shape. Many applications are

  4. Tropical varieties, maps and gossip

    NARCIS (Netherlands)

    Frenk, B.J.

    2013-01-01

    Tropical geometry is a relatively new field of mathematics that studies the tropicalization map: a map that assigns a certain type of polyhedral complex, called a tropical variety, to an embedded algebraic variety. In a sense, it translates algebraic geometric statements into combinatorial ones. An

  5. Convergency analysis of the high-order mimetic finite difference method

    Energy Technology Data Exchange (ETDEWEB)

    Lipnikov, Konstantin [Los Alamos National Laboratory; Veiga Da Beirao, L [UNIV DEGLI STUDI; Manzini, G [NON LANL

    2008-01-01

    We prove second-order convergence of the conservative variable and its flux in the high-order MFD method. The convergence results are proved for unstructured polyhedral meshes and full tensor diffusion coefficients. For the case of non-constant coefficients, we also develop a new family of high-order MFD methods. Theoretical result are confirmed through numerical experiments.

  6. Design of an Emergency Shelter

    NARCIS (Netherlands)

    Kamerling, M.W.

    2013-01-01

    This paper presents the design of a light and robust temporary emergency shelter with a triangulated polyhedral grid to transfer the lateral and vertical loads efficiently. To simplify the construction the variety of the elements is minimized, only two sizes of elements are applied. For the

  7. Computing Tropical Varieties

    DEFF Research Database (Denmark)

    Speyer, D.; Jensen, Anders Nedergaard; Bogart, T.

    2005-01-01

    The tropical variety of a d-dimensional prime ideal in a polynomial ring with complex coefficients is a pure d-dimensional polyhedral fan. This fan is shown to be connected in codimension one. We present algorithmic tools for computing the tropical variety, and we discuss our implementation...

  8. Na2TiGeO5: Crystal structure stability at low temperature and high pressure

    DEFF Research Database (Denmark)

    Waskowska, A.; Gerward, Leif; Olsen, J.S.

    2008-01-01

    The temperature evolution of the lattice parameters measured from 295 to 125 K exhibits a small instability below T-c approximate to 278 K, indicating ferroelastic properties of Na2TiGeO5. The behavior is related to the specific crystal structure built of polyhedral layers with shared TiO5 pyrami...

  9. Combinatorial commutative algebra

    CERN Document Server

    Miller, Ezra

    2005-01-01

    Offers an introduction to combinatorial commutative algebra, focusing on combinatorial techniques for multigraded polynomial rings, semigroup algebras, and determined rings. The chapters in this work cover topics ranging from homological invariants of monomial ideals and their polyhedral resolutions, to tools for studying algebraic varieties.

  10. Apparatus and process for the surface treatment of carbon fibers

    Science.gov (United States)

    Paulauskas, Felix Leonard; Ozcan, Soydan; Naskar, Amit K.

    2016-05-17

    A method for surface treating a carbon-containing material in which carbon-containing material is reacted with decomposing ozone in a reactor (e.g., a hollow tube reactor), wherein a concentration of ozone is maintained throughout the reactor by appropriate selection of at least processing temperature, gas stream flow rate, reactor dimensions, ozone concentration entering the reactor, and position of one or more ozone inlets (ports) in the reactor, wherein the method produces a surface-oxidized carbon or carbon-containing material, preferably having a surface atomic oxygen content of at least 15%. The resulting surface-oxidized carbon material and solid composites made therefrom are also described.

  11. Discrete Curvature Theories and Applications

    KAUST Repository

    Sun, Xiang

    2016-08-25

    Discrete Di erential Geometry (DDG) concerns discrete counterparts of notions and methods in di erential geometry. This thesis deals with a core subject in DDG, discrete curvature theories on various types of polyhedral surfaces that are practically important for free-form architecture, sunlight-redirecting shading systems, and face recognition. Modeled as polyhedral surfaces, the shapes of free-form structures may have to satisfy di erent geometric or physical constraints. We study a combination of geometry and physics { the discrete surfaces that can stand on their own, as well as having proper shapes for the manufacture. These proper shapes, known as circular and conical meshes, are closely related to discrete principal curvatures. We study curvature theories that make such surfaces possible. Shading systems of freeform building skins are new types of energy-saving structures that can re-direct the sunlight. From these systems, discrete line congruences across polyhedral surfaces can be abstracted. We develop a new curvature theory for polyhedral surfaces equipped with normal congruences { a particular type of congruences de ned by linear interpolation of vertex normals. The main results are a discussion of various de nitions of normality, a detailed study of the geometry of such congruences, and a concept of curvatures and shape operators associated with the faces of a triangle mesh. These curvatures are compatible with both normal congruences and the Steiner formula. In addition to architecture, we consider the role of discrete curvatures in face recognition. We use geometric measure theory to introduce the notion of asymptotic cones associated with a singular subspace of a Riemannian manifold, which is an extension of the classical notion of asymptotic directions. We get a simple expression of these cones for polyhedral surfaces, as well as convergence and approximation theorems. We use the asymptotic cones as facial descriptors and demonstrate the

  12. Microwave Plasma Enhanced Chemical Vapor Deposition of Diamond in Vapor of Methanol-Based Liquid Solutions

    National Research Council Canada - National Science Library

    Tzeng, Yonhua

    2000-01-01

    .... Liquid solutions are prepared by mixing methanol with other carbon containing liquid compounds which contain a greater than one ratio of carbon to oxygen such as acetone, ethanol, and iso-propanol...

  13. A New Euler's Formula for DNA Polyhedra

    Science.gov (United States)

    Hu, Guang; Qiu, Wen-Yuan; Ceulemans, Arnout

    2011-01-01

    DNA polyhedra are cage-like architectures based on interlocked and interlinked DNA strands. We propose a formula which unites the basic features of these entangled structures. It is based on the transformation of the DNA polyhedral links into Seifert surfaces, which removes all knots. The numbers of components , of crossings , and of Seifert circles are related by a simple and elegant formula: . This formula connects the topological aspects of the DNA cage to the Euler characteristic of the underlying polyhedron. It implies that Seifert circles can be used as effective topological indices to describe polyhedral links. Our study demonstrates that, the new Euler's formula provides a theoretical framework for the stereo-chemistry of DNA polyhedra, which can characterize enzymatic transformations of DNA and be used to characterize and design novel cages with higher genus. PMID:22022596

  14. Spontaneous squamous cell carcinoma of the tongue and multiple bronchioloalveolar carcinomas in a Virginia opossum (Didelphis virginiana).

    Science.gov (United States)

    Kim, D Y; Mitchell, M A; De las Heras, M; Taylor, H W; Cho, D-Y

    2002-01-01

    Two primary tumours, squamous cell carcinoma of the tongue and multiple bronchioloalveolar carcinomas, were diagnosed in a Virginia opossum (Didelphis virginiana). Two oral masses were located in the right ventrolateral surface of the tongue, near the frenulum, and the lungs contained multiple, widely distributed, nodular masses. Microscopically, the oral masses were composed of invasive cords of pleomorphic, polyhedral cells, typical of squamous cells. The multiple pulmonary masses consisted of non-ciliated, cuboidal, columnar, or occasionally polyhedral cells arranged in an alveolar pattern with multifocal areas of necrosis. This is the first report of spontaneous oropharyngeal squamous cell carcinoma in the Virginia opossum. However, multiple pulmonary adenomas have been reported previously in this species, the lesions being similar to those in sheep pulmonary adenomatosis (jaagsiekte). In the present study, immunohistochemical examination of the pulmonary tumours with a rabbit polyclonal antiserum to jaagsiekte retroviral capsid protein proved negative. Copyright Harcourt Publishers Ltd.

  15. Path planning algorithms for assembly sequence planning. [in robot kinematics

    Science.gov (United States)

    Krishnan, S. S.; Sanderson, Arthur C.

    1991-01-01

    Planning for manipulation in complex environments often requires reasoning about the geometric and mechanical constraints which are posed by the task. In planning assembly operations, the automatic generation of operations sequences depends on the geometric feasibility of paths which permit parts to be joined into subassemblies. Feasible locations and collision-free paths must be present for part motions, robot and grasping motions, and fixtures. This paper describes an approach to reasoning about the feasibility of straight-line paths among three-dimensional polyhedral parts using an algebra of polyhedral cones. A second method recasts the feasibility conditions as constraints in a nonlinear optimization framework. Both algorithms have been implemented and results are presented.

  16. The mimetic finite difference method for elliptic problems

    CERN Document Server

    Veiga, Lourenço Beirão; Manzini, Gianmarco

    2014-01-01

    This book describes the theoretical and computational aspects of the mimetic finite difference method for a wide class of multidimensional elliptic problems, which includes diffusion, advection-diffusion, Stokes, elasticity, magnetostatics and plate bending problems. The modern mimetic discretization technology developed in part by the Authors allows one to solve these equations on unstructured polygonal, polyhedral and generalized polyhedral meshes. The book provides a practical guide for those scientists and engineers that are interested in the computational properties of the mimetic finite difference method such as the accuracy, stability, robustness, and efficiency. Many examples are provided to help the reader to understand and implement this method. This monograph also provides the essential background material and describes basic mathematical tools required to develop further the mimetic discretization technology and to extend it to various applications.

  17. Morphology-controlled synthesis of ZnS nanostructures via single-source approaches

    International Nuclear Information System (INIS)

    Han, Qiaofeng; Qiang, Fei; Wang, Meijuan; Zhu, Junwu; Lu, Lude; Wang, Xin

    2010-01-01

    ZnS nanoparticles of various morphologies, including hollow or solid spherical, and polyhedral shape, were synthesized from single-source precursor Zn(S 2 COC 2 H 5 ) 2 without using a surfactant or template. The as-prepared samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy. The results indicate that ZnS hollow and solid spheres assembled by nanoparticles can be easily generated by the solution phase thermalysis of Zn(S 2 COC 2 H 5 ) 2 at 80 o C using N, N-dimethylformamide (DMF) and ethylene glycol (EG) or water as solvents, respectively, whereas solvothermal process of the same precursor led to ZnS nanoparticles of polyhedral shape with an average size of 120 nm. The optical properties of these ZnS nanostructures were investigated by room-temperature luminescence and UV-vis diffuse reflectance spectra.

  18. Estimating Small-Body Gravity Field from Shape Model and Navigation Data

    Science.gov (United States)

    Park, Ryan S.; Werner, Robert A.; Bhaskaran, Shyam

    2008-01-01

    This paper presents a method to model the external gravity field and to estimate the internal density variation of a small-body. We first discuss the modeling problem, where we assume the polyhedral shape and internal density distribution are given, and model the body interior using finite elements definitions, such as cubes and spheres. The gravitational attractions computed from these approaches are compared with the true uniform-density polyhedral attraction and the level of accuracies are presented. We then discuss the inverse problem where we assume the body shape, radiometric measurements, and a priori density constraints are given, and estimate the internal density variation by estimating the density of each finite element. The result shows that the accuracy of the estimated density variation can be significantly improved depending on the orbit altitude, finite-element resolution, and measurement accuracy.

  19. Self-folding micropatterned polymeric containers.

    Science.gov (United States)

    Azam, Anum; Laflin, Kate E; Jamal, Mustapha; Fernandes, Rohan; Gracias, David H

    2011-02-01

    We demonstrate self-folding of precisely patterned, optically transparent, all-polymeric containers and describe their utility in mammalian cell and microorganism encapsulation and culture. The polyhedral containers, with SU-8 faces and biodegradable polycaprolactone (PCL) hinges, spontaneously assembled on heating. Self-folding was driven by a minimization of surface area of the liquefying PCL hinges within lithographically patterned two-dimensional (2D) templates. The strategy allowed for the fabrication of containers with variable polyhedral shapes, sizes and precisely defined porosities in all three dimensions. We provide proof-of-concept for the use of these polymeric containers as encapsulants for beads, chemicals, mammalian cells and bacteria. We also compare accelerated hinge degradation rates in alkaline solutions of varying pH. These optically transparent containers resemble three-dimensional (3D) micro-Petri dishes and can be utilized to sustain, monitor and deliver living biological components.

  20. Oligoaniline-containing electrochromic polymers with tunable properties

    Directory of Open Access Journals (Sweden)

    Y. Li

    2018-07-01

    Full Text Available Electrochromic polymers have attracted much attention due to their potential applications in displays, smart windows, intelligent mirrors, and wearable devices. Here, a novel polyamic acid containing aniline pentamer with improved electrochromic properties and new functionalities was synthesized via oxidative coupling polymerization, followed by postpolymerization of tetraaniline, polyhedral oligomeric silsesquioxane, and fluorene, respectively. With the introduction of tetraaniline pendants, the resultant polymer exhibits improved electrochromic performance with high optical contrast value and rapid switching rate, because of the high content of electrochromic units in the polymeric structure. The polyamic acid functionalized with polyhedral oligomeric silsesquioxane, demonstrates a great enhancement of switching rate in the electrochromism, due to the rapid electrolyte migration through polymer film under electrochemical potentials. In addition, a new electrofluorochromic feature is easily achieved through the introduction of fluorescent fluorene groups into the polymeric architecture.

  1. Final Report of the Project "From the finite element method to the virtual element method"

    Energy Technology Data Exchange (ETDEWEB)

    Manzini, Gianmarco [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gyrya, Vitaliy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-12-20

    The Finite Element Method (FEM) is a powerful numerical tool that is being used in a large number of engineering applications. The FEM is constructed on triangular/tetrahedral and quadrilateral/hexahedral meshes. Extending the FEM to general polygonal/polyhedral meshes in straightforward way turns out to be extremely difficult and leads to very complex and computationally expensive schemes. The reason for this failure is that the construction of the basis functions on elements with a very general shape is a non-trivial and complex task. In this project we developed a new family of numerical methods, dubbed the Virtual Element Method (VEM) for the numerical approximation of partial differential equations (PDE) of elliptic type suitable to polygonal and polyhedral unstructured meshes. We successfully formulated, implemented and tested these methods and studied both theoretically and numerically their stability, robustness and accuracy for diffusion problems, convection-reaction-diffusion problems, the Stokes equations and the biharmonic equations.

  2. Superlattices assembled through shape-induced directional binding

    Science.gov (United States)

    Lu, Fang; Yager, Kevin G.; Zhang, Yugang; Xin, Huolin; Gang, Oleg

    2015-04-01

    Organization of spherical particles into lattices is typically driven by packing considerations. Although the addition of directional binding can significantly broaden structural diversity, nanoscale implementation remains challenging. Here we investigate the assembly of clusters and lattices in which anisotropic polyhedral blocks coordinate isotropic spherical nanoparticles via shape-induced directional interactions facilitated by DNA recognition. We show that these polyhedral blocks--cubes and octahedrons--when mixed with spheres, promote the assembly of clusters with architecture determined by polyhedron symmetry. Moreover, three-dimensional binary superlattices are formed when DNA shells accommodate the shape disparity between nanoparticle interfaces. The crystallographic symmetry of assembled lattices is determined by the spatial symmetry of the block's facets, while structural order depends on DNA-tuned interactions and particle size ratio. The presented lattice assembly strategy, exploiting shape for defining the global structure and DNA-mediation locally, opens novel possibilities for by-design fabrication of binary lattices.

  3. Introduction to tropical geometry

    CERN Document Server

    Maclagan, Diane

    2015-01-01

    Tropical geometry is a combinatorial shadow of algebraic geometry, offering new polyhedral tools to compute invariants of algebraic varieties. It is based on tropical algebra, where the sum of two numbers is their minimum and the product is their sum. This turns polynomials into piecewise-linear functions, and their zero sets into polyhedral complexes. These tropical varieties retain a surprising amount of information about their classical counterparts. Tropical geometry is a young subject that has undergone a rapid development since the beginning of the 21st century. While establishing itself as an area in its own right, deep connections have been made to many branches of pure and applied mathematics. This book offers a self-contained introduction to tropical geometry, suitable as a course text for beginning graduate students. Proofs are provided for the main results, such as the Fundamental Theorem and the Structure Theorem. Numerous examples and explicit computations illustrate the main concepts. Each of t...

  4. Effect of surface cold work on corrosion of Alloy 690TT in high temperature high pressure water

    International Nuclear Information System (INIS)

    Wang, J.; Zhang, Z.; Han, E.-H.; Ke, W.

    2009-01-01

    This paper aims to investigate the effect of surface cold work on corrosion of Alloy 690TT. The Alloy 690TT was mechanical ground and electro polished respectively and immersed in primary water at DO = 2 ppm and DH = 2.5ppm respectively. The microstructure of surface and the compositions and morphology of the surface film on Alloy 690TT after immersion test were studied using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Auger electron spectroscopy (AES) and focused ion beam (FIB). The results showed that feather-like oxide with decorated polyhedral oxide formed on ground surface and needle-like oxide with decorated polyhedral oxide formed on electro-polished surface. (author)

  5. Controlling the shape of membrane protein polyhedra

    Science.gov (United States)

    Li, Di; Kahraman, Osman; Haselwandter, Christoph A.

    2017-03-01

    Membrane proteins and lipids can self-assemble into membrane protein polyhedral nanoparticles (MPPNs). MPPNs have a closed spherical surface and a polyhedral protein arrangement, and may offer a new route for structure determination of membrane proteins and targeted drug delivery. We develop here a general analytic model of how MPPN self-assembly depends on bilayer-protein interactions and lipid bilayer mechanical properties. We find that the bilayer-protein hydrophobic thickness mismatch is a key molecular control parameter for MPPN shape that can be used to bias MPPN self-assembly towards highly symmetric and uniform MPPN shapes. Our results suggest strategies for optimizing MPPN shape for structural studies of membrane proteins and targeted drug delivery.

  6. The Building Game: From Enumerative Combinatorics to Conformational Diffusion

    Science.gov (United States)

    Johnson-Chyzhykov, Daniel; Menon, Govind

    2016-08-01

    We study a discrete attachment model for the self-assembly of polyhedra called the building game. We investigate two distinct aspects of the model: (i) enumerative combinatorics of the intermediate states and (ii) a notion of Brownian motion for the polyhedral linkage defined by each intermediate that we term conformational diffusion. The combinatorial configuration space of the model is computed for the Platonic, Archimedean, and Catalan solids of up to 30 faces, and several novel enumerative results are generated. These represent the most exhaustive computations of this nature to date. We further extend the building game to include geometric information. The combinatorial structure of each intermediate yields a systems of constraints specifying a polyhedral linkage and its moduli space. We use a random walk to simulate a reflected Brownian motion in each moduli space. Empirical statistics of the random walk may be used to define the rates of transition for a Markov process modeling the process of self-assembly.

  7. Assessment of Energy Storage Technologies for Army Facilities.

    Science.gov (United States)

    1986-05-01

    pentraerythritol, penta- glycerine, and neopentyl glycol , and is intended for use as thermal storage in passive solar architecture. In a broad interpretation of...Candidate binaries include (1) glycols and :. ,..polyhedric alcohols that are mixed with water and (2) certain alkane-alcohol combina- I .,, tions. Since use...transferred from a lower to a higher temperature and combined with the solid absorbent. Liquid absorbents include sulfuric acid, the alkene glycols , and

  8. Analysis of johnson polyhedra using projective geometry techniques ПРОЕКТИВОГРАФИЧЕСКИЙ АНАЛИЗ МНОГОГРАННИКОВ ДЖОНСОНА

    OpenAIRE

    Ivashchenko Andrey Viktorovich; Kondrat’eva Tat’yana Mikhaylovna

    2013-01-01

    The authors analyze the capabilities of projective geometry techniques based on the method of tracing for diagrams, as applied to problems of Johnson polyhedra and formation of convex polyhedral structures. Johnson polyhedra, known as Johnson solids, demonstrate a specific type of symmetry. Each polyhedron can serve as the core for varied shapes capable of preserving their properties. The authors believe that the research into clusters of Johnson solids have a stronger potential than any rese...

  9. The topology of fullerenes

    DEFF Research Database (Denmark)

    Schwerdtfeger, Peter; Wirz, Lukas; Avery, James Emil

    2014-01-01

    Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar g....... In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems....

  10. The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B10H14

    Czech Academy of Sciences Publication Activity Database

    Medved, M.; Demissie, T.B.; McKee, M.L.; Hnyk, Drahomír

    2017-01-01

    Roč. 19, č. 19 (2017), s. 12229-12236 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA16-01618S Institutional support: RVO:61388980 Keywords : nonlinear-optical properties * coupled-cluster theory * open-shell systems * 3-dimensional aromaticity * polyhedral boranes Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 4.123, year: 2016

  11. A Notion of Total Dual Integrality for Convex, Semidefinite, and Extended Formulations

    OpenAIRE

    Silva, Marcel K. de Carli; Tunçel, Levent

    2018-01-01

    Total dual integrality is a powerful and unifying concept in polyhedral combinatorics and integer programming that enables the refinement of geometric min-max relations given by linear programming Strong Duality into combinatorial min-max theorems. The definition of total dual integrality (TDI) revolves around the existence of optimal dual solutions that are integral, and thus naturally applies to a host of combinatorial optimization problems that are cast as integer programs whose LP relaxat...

  12. Molecular Modeling of Interfacial Behaviors of Nanomaterials

    Science.gov (United States)

    2007-05-01

    potential was originally designed for the modeling of mixed covalent- ionic bonding and was successfully used to describe oxides in crystalline, glassy, and...is separates from the bulk liquid polymer, i.e., the structure of this layer, as influenced by that of the meatal surface, is significantly more...Striolo, J. Kieffer, and P. Cummings, ’Evaluation of Force- fields for molecular simulation of polyhedral oligomeric silsesquioxanes,’ J. Phys. Chem

  13. Potential Energy Surfaces and Dynamics of High Energy Species

    Science.gov (United States)

    2009-04-13

    explored include ionic liquids and a range of high-nitrogen content and nitrogen-oxygen content species. Polyhedral oligomeric silisesquioxanes are...Approved for Public Release 13. SUPPLEMENTARY NOTES 14. ABSTRACT Several papers on ionic liquids have been published or submitted as a result of this...in energetic ionic liquids . These are variously substituted triazolium, tertazolium, and pentazolium cations. The heats of formation of all species

  14. POSS Ionic Liquid.

    Science.gov (United States)

    Tanaka, Kazuo; Ishiguro, Fumiyasu; Chujo, Yoshiki

    2010-12-22

    We report the synthesis of a stable room-temperature ionic liquid consisting of an octacarboxy polyhedral oligomeric silsesquioxane (POSS) anion and an imidazolium cation. The introduction of the POSS moiety enhances the thermal stability and reduces the melting temperature. From an evaluation of the thermodynamic parameters during the melting, it was found that the rigidity and cubic structure of POSS can contribute to the enhancement of these thermal properties.

  15. Integral equations for free-molecule ow in MEMS: recent advancements

    Directory of Open Access Journals (Sweden)

    Fedeli Patrick

    2017-03-01

    Full Text Available We address a Boundary Integral Equation (BIE approach for the analysis of gas dissipation in near-vacuum for Micro Electro Mechanical Systems (MEMS. Inspired by an analogy with the radiosity equation in computer graphics, we discuss an efficient way to compute the visible domain of integration. Moreover, we tackle the issue of near singular integrals by developing a set of analytical formulas for planar polyhedral domains. Finally a validation with experimental results taken from the literature is presented.

  16. Granular cell tumor: An uncommon benign neoplasm

    Directory of Open Access Journals (Sweden)

    Tirthankar Gayen

    2015-01-01

    Full Text Available Granular cell tumor is a distinctly rare neoplasm of neural sheath origin. It mainly presents as a solitary asymptomatic swelling in the oral cavity, skin, and rarely internal organs in the middle age. Histopathology is characteristic, showing polyhedral cells containing numerous fine eosinophilic granules with indistinct cell margins. We present a case of granular cell tumor on the back of a 48-year-old woman which was painful, mimicking an adnexal tumor.

  17. A compactification of the Bruhat-Tits building

    CERN Document Server

    Landvogt, Erasmus

    1996-01-01

    The aim of this work is the definition of the polyhedral compactification of the Bruhat-Tits building of a reductive group over a local field. In addition, an explicit description of the boundary is given. In order to make this work as self-contained as possible and also accessible to non-experts in Bruhat-Tits theory, the construction of the Bruhat-Tits building itself is given completely.

  18. The Galerkin Finite Element Method for A Multi-term Time-Fractional Diffusion equation

    OpenAIRE

    Jin, Bangti; Lazarov, Raytcho; Liu, Yikan; Zhou, Zhi

    2014-01-01

    We consider the initial/boundary value problem for a diffusion equation involving multiple time-fractional derivatives on a bounded convex polyhedral domain. We analyze a space semidiscrete scheme based on the standard Galerkin finite element method using continuous piecewise linear functions. Nearly optimal error estimates for both cases of initial data and inhomogeneous term are derived, which cover both smooth and nonsmooth data. Further we develop a fully discrete scheme based on a finite...

  19. Eigenvalue inequalities for the Laplacian with mixed boundary conditions

    Czech Academy of Sciences Publication Activity Database

    Lotoreichik, Vladimir; Rohleder, J.

    2017-01-01

    Roč. 263, č. 1 (2017), s. 491-508 ISSN 0022-0396 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : Laplace operator * mixed boundary conditions * eigenvalue inequality * polyhedral domain * Lipschitz domain Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 1.988, year: 2016

  20. Synthesis of new dithiacobaltaborane clusters derived from arachno-6,8-S2B7H9

    International Nuclear Information System (INIS)

    Kang, S.O.; Sneddon, L.G.

    1988-01-01

    A series of air-stable dithiacobaltaborane clusters has been isolated from either the reaction of the arachno-S 2 B 7 H 8 - anion with cobalt chloride and pentamethylcyclopentadienide or the reaction of neutral arachno-6,8-S 2 B 7 H 9 with cobalt atoms and pentamethylcyclopentadiene. Thus, the reaction of arachno-S 2 B 7 H 8 - with CoCl 2 and C 5 (CH 3 ) 5 - in THF gave, as the major products, the triple-decker compound nido-4,6-η-C 5 (CH 3 ) 52 Co 2 -3,5-S 2 B 2 H 2 (I) and the 11-vertex cluster nido-8,10(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (III). Also isolated in smaller amounts were a chloride derivative of I, nido-1-Cl-4,6-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -3,5-S 2 B 2 H (II), two isomers of III, nido-3,10-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (IV) and nido-3,5-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -7,9-S 2 B 7 H 7 (V), and the eight-boron cluster nido-8-(η-C 5 (CH 3 ) 5 )Co-7,9-S 2 B 8 H 8 (VI). Other trace products of the reaction included the six-boron clusters nido-5,8-(η-C 5 (CH 3 ) 5 ) 2 Co 2 -6,9-S 2 B 6 H 6 (VII) and arachno-7-(η-C 5 (CH 3 ) 5 )Co-6,8-S 2 B 6 H 8 (VIII). Compound III was found to isomerize at 250 degree C to IV, which could then be converted to V at 300 degree C. The reaction of cobalt atoms with arachno-6,8-S 2 B 7 H 9 in the presence of pentamethylcyclopentadiene gave VIII as the major product; however, a number of other clusters including I, V, VI, and [(η-C 5 (CH 3 ) 5 ) 2 Co] + [(SB 10 H 10 ) 2 Co] - were isolated in trace amounts. 16 references, 6 figures, 3 tables

  1. Morphology transformation of Cu{sub 2}O by adding TEOA and their antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Weijia; Zheng, Min, E-mail: zhengmin@suda.edu.cn; Li, Rong; Wang, Yuyuan [Soochow University, National Engineering Laboratory for Modern Silk, College of Textile and Clothing Engineering (China)

    2016-11-15

    Cu{sub 2}O polyhedral particles and hollow spheres were successfully synthesized by adjusting the concentration of triethanolamine (TEOA). The as-prepared samples were structurally characterized by the scanning electron microscope (SEM), X-ray powder diffraction (XRD), and transmission electron microscopy (TEM). The results revealed that the solid polyhedral Cu{sub 2}O with sizes ranging from 70 to 150 nm was in good crystallization. The diameter of the hollow Cu{sub 2}O spheres increased to 350–450 nm. It was found that the sizes and morphologies of the products could be significantly affected by the concentration of TEOA. And the morphology of Cu{sub 2}O transformed from solid polyhedrons to hollow spheres with the further enrichment of TEOA concentration. A possible mechanism was proposed to explain the formation of the hollow Cu{sub 2}O spheres. In addition, we investigated the antibacterial activities of the samples. It was demonstrated that the hollow Cu{sub 2}O sphere exhibited better antibacterial activities for Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) compared with the solid polyhedral Cu{sub 2}O.

  2. An Origami Approximation to the Cosmic Web

    Science.gov (United States)

    Neyrinck, Mark C.

    2016-10-01

    The powerful Lagrangian view of structure formation was essentially introduced to cosmology by Zel'dovich. In the current cosmological paradigm, a dark-matter-sheet 3D manifold, inhabiting 6D position-velocity phase space, was flat (with vanishing velocity) at the big bang. Afterward, gravity stretched and bunched the sheet together in different places, forming a cosmic web when projected to the position coordinates. Here, I explain some properties of an origami approximation, in which the sheet does not stretch or contract (an assumption that is false in general), but is allowed to fold. Even without stretching, the sheet can form an idealized cosmic web, with convex polyhedral voids separated by straight walls and filaments, joined by convex polyhedral nodes. The nodes form in `polygonal' or `polyhedral' collapse, somewhat like spherical/ellipsoidal collapse, except incorporating simultaneous filament and wall formation. The origami approximation allows phase-space geometries of nodes, filaments, and walls to be more easily understood, and may aid in understanding spin correlations between nearby galaxies. This contribution explores kinematic origami-approximation models giving velocity fields for the first time.

  3. A Novel Virtual Node Hexahedral Element with Exact Integration and Octree Meshing

    Directory of Open Access Journals (Sweden)

    Logah Perumal

    2016-01-01

    Full Text Available The method presented in this work is a 3-dimensional polyhedral finite element (3D PFEM based on virtual node method. Novel virtual node polyhedral elements (termed as VPHE are developed here, particularly virtual node hexahedral element (termed as VHE. Stiffness matrices of these polyhedral elements consist of simple polynomials. Thus, a new algorithm is introduced in this paper, which enables exact integration of monomials without a need for high number of integration points and weights. The number of nodes for VHE elements is not restricted, as opposed to the conventional hexahedral elements. This feature enables formulation of transition elements (termed as T-VHE which are useful to adaptive computation. Performances of the new VHE elements in solid mechanics and conductive heat transfer phenomena are examined through numerical simulations. The new T-VHE elements are utilized in octree mesh. The VHE elements are found to produce good results and T-VHE elements help to reduce number of global nodes for the analysis.

  4. Effective binding of perhalogenated closo-borates to serum albumins revealed by spectroscopic and ITC studies

    Science.gov (United States)

    Kuperman, Marina V.; Losytskyy, Mykhaylo Yu.; Bykov, Alexander Yu.; Yarmoluk, Sergiy M.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Varzatskii, Oleg A.; Gumienna-Kontecka, Elzbieta; Kovalska, Vladyslava B.

    2017-08-01

    The interactions of boron cluster compounds closo-borates with biomolecules are widely studied due to their efficiency as agents for boron neutron capture therapy of cancer. In present work the binding abilities of anionic halogen closo-borates [B10Hal10]2- (Hal = Cl, Br, I) and [B12Hal12]2- (Hal = Cl, I) towards bovine and human serum albumins were investigated by spectroscopic and isothermal titration calorimetry (ITC) methods. The protein fluorescence quenching method and ITC studies confirmed the complex formation. The degree of protein fluorescence quenching increased from chlorine to iodine boron derivatives that is attributed to external heavy atom effect. The ITC data point on the existence in the protein structure of two types of binding sites: with higher and lower affinity to closo-borates. Albumin-closo-borate complex binding ratio, n (4-5 anions per protein molecule) is higher than for the parent hydrogen closo-borates (2 anions per protein molecule). Binding constants estimated by fluorescent and ITC methods indicate higher affinity of halogen closo-borates to albumins (K in the range of 104-106 M-1) comparing to that of the hydrogen closo-borate (K about 103 M-1). Due to their high affinity and high binding ratio to albumins halogen closo-borates are proposed for further studies as agents for boron neutron capture therapy.

  5. Electron spectroscopic imaging of antigens by reaction with boronated antibodies.

    Science.gov (United States)

    Qualmann, B; Kessels, M M; Klobasa, F; Jungblut, P W; Sierralta, W D

    1996-07-01

    Two small homogeneous markers for electron spectroscopic imaging (ESI) containing eight dodecaborane cages linked to a poly-alpha, epsilon-L-lysine dendrimer were synthesized; one of these was made water soluble by the attachment of a polyether. The markers were coupled to the sulfhydryl group of (monovalent) antibody fragments (Fab') by a homobifunctional cross-linker. While the coupling ratios of the poorly water-soluble compound did not exceed 20%, the polyether-containing variant reacted quantitatively. Its suitability for immunolabelling was tested in a study of the mechanism of the transcellular transport of an administered heterologous protein (bovine serum albumin, BSA) through ileal enterocytes of newborn piglets by endocytotic vesicles in comparison to conventional immunogold reagents. The post-embedding technique was employed. The boronated Fab' gave rise to considerably higher tagging frequencies than seen with immunogold, as could be expected from its form- and size-related physical advantages and the dense packing of BSA in the vesicles. The new probe, carrying the antigen-combining cleft at one end and the boron clusters at the opposite end of the oval-shaped conjugate, add to the potential of ESI-based immunocytochemistry.

  6. Electronic structure of the boron fullerene B14 and its silicon derivatives B13Si(+), B13Si(-) and B12Si2: a rationalization using a cylinder model.

    Science.gov (United States)

    Van Duong, Long; Nguyen, Minh Tho

    2016-06-29

    Geometric and electronic structures of the boron cluster B14 and its silicon derivatives B13Si(+), B13Si(-), and B12Si2 were determined using DFT calculations (TPSSh/6-311+G(d)). The B12Si2 fullerene, which is formed by substituting two B atoms at two apex positions of the B14 fullerene by two Si atoms, was also found as the global minimum structure. We demonstrated that the electronic structure and orbital configuration of these small fullerenes can be predicted by the wavefunctions of a particle on a cylinder. The early appearance of high angular node MOs in B14 and B12Si2 can be understood by this simple model. Replacement of one B atom at a top position of B14 by one Si atom, followed by the addition or removal of one electron does not lead to a global minimum fullerene structure for the anion B13Si(-) and cation B13Si(+). The early appearance of the 5σ1 orbital in B13Si(+) causes a lower stability for the fullerene-type structure.

  7. Bismuth-boron multiple bonding in BiB{sub 2}O{sup -} and Bi{sub 2}B{sup -}

    Energy Technology Data Exchange (ETDEWEB)

    Jian, Tian; Cheung, Ling Fung; Chen, Teng-Teng; Wang, Lai-Sheng [Department of Chemistry, Brown University, Providence, RI (United States)

    2017-08-01

    Despite its electron deficiency, boron is versatile in forming multiple bonds. Transition-metal-boron double bonding is known, but boron-metal triple bonds have been elusive. Two bismuth boron cluster anions, BiB{sub 2}O{sup -} and Bi{sub 2}B{sup -}, containing triple and double B-Bi bonds are presented. The BiB{sub 2}O{sup -} and Bi{sub 2}B{sup -} clusters are produced by laser vaporization of a mixed B/Bi target and characterized by photoelectron spectroscopy and ab initio calculations. Well-resolved photoelectron spectra are obtained and interpreted with the help of ab initio calculations, which show that both species are linear. Chemical bonding analyses reveal that Bi forms triple and double bonds with boron in BiB{sub 2}O{sup -} ([Bi≡B-B≡O]{sup -}) and Bi{sub 2}B{sup -} ([Bi=B=Bi]{sup -}), respectively. The Bi-B double and triple bond strengths are calculated to be 3.21 and 4.70 eV, respectively. This is the first experimental observation of Bi-B double and triple bonds, opening the door to design main-group metal-boron complexes with multiple bonding. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Bismuth-boron multiple bonding in BiB_2O"- and Bi_2B"-

    International Nuclear Information System (INIS)

    Jian, Tian; Cheung, Ling Fung; Chen, Teng-Teng; Wang, Lai-Sheng

    2017-01-01

    Despite its electron deficiency, boron is versatile in forming multiple bonds. Transition-metal-boron double bonding is known, but boron-metal triple bonds have been elusive. Two bismuth boron cluster anions, BiB_2O"- and Bi_2B"-, containing triple and double B-Bi bonds are presented. The BiB_2O"- and Bi_2B"- clusters are produced by laser vaporization of a mixed B/Bi target and characterized by photoelectron spectroscopy and ab initio calculations. Well-resolved photoelectron spectra are obtained and interpreted with the help of ab initio calculations, which show that both species are linear. Chemical bonding analyses reveal that Bi forms triple and double bonds with boron in BiB_2O"- ([Bi≡B-B≡O]"-) and Bi_2B"- ([Bi=B=Bi]"-), respectively. The Bi-B double and triple bond strengths are calculated to be 3.21 and 4.70 eV, respectively. This is the first experimental observation of Bi-B double and triple bonds, opening the door to design main-group metal-boron complexes with multiple bonding. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Preparation of new boron compounds with potential for application in 10B NCT: Derivatives of monocarbon carboranes

    International Nuclear Information System (INIS)

    Morris, J.H.; Khan, S.A.; Mair, F.; Peters, G.

    1992-01-01

    In order to extend the range and versatility of boron clusters appropriate to NCT the authors have studied routes to derivatives of the anions 1-carba-closo-dodecahydrododecaborate-1, [CB 11 H 12 ] - , (1), and its synthetic precursor, 7-carba-nido-tridecahydroundecaborate-1, [CB 10 H 13 ] - , (2). Substitution chemistry of closo-[CB 11 H 12 ] - and its derivatives had been examined previously primarily with respect to substituents at the C-atom. The different isomeric sites of boron substitution, which have been much less studied, offer potential scope for subtle modification of properties of the substituted species. They have sought to prepare thiol substituted derivatives analogous to the widely studied species [B 12 H 11 SH] 2- . The preliminary experiments to introduce the thiol substituent by routes analogous to those for the preparation of [B 12 H 11 SH] 2- or 1- and 2-[B 10 H 9 SH] 2- were unsuccessful. Therefore they considered routes involving prior substitution of either the precursor nido-[CB 10 H 13 ] - and its derivatives, or the monoboron species used for boron insertion

  10. Boron-containing thioureas for neutron capture therapy

    International Nuclear Information System (INIS)

    Ketz, H.

    1993-01-01

    Melanin is produced in large amounts in malignant melanotic melanomas. Because thiourea compounds are covalently incorporated into melanin during its biosynthesis, the preparation of boronated thiourea-derivatives is of particular interest for the BNCT (Boron Neutron Capture Therapy). Accumulation of boron in tumors by means of boronated thiourea-derivatives may therefore provide levels of 10 B which are useful for BNCT. In BNCT the tumor containing the boron compound is irradiated with epithermal neutrons to generate He- and Li-nuclei from the 10 B which can then destroy the tumor cells. Because of the short ranges of these particles (approximately one cell diameter) the damage will be almost exclusively confined to the tumor leaving normal tissue unharmed. High accumulation of 2-mercapto-1-methylimidazole (methimazole) in melanotic melanomas has been described in the literature. Boronated derivatives of methimazole were therefore synthesized. Boron was in the form of a boronic acid, a nido-carbonate and a mercaptoundeca hydro-closo-dodecaborate (BSH). The synthesis of the boron cluster derivatives of methimazole (nido-carborate- and BSH-derivatives) with 9 resp. 12 boron atoms in the molecule were expected to achieve higher concentrations of boron in the tumor than in the case of the boronic acid compound with its single boron atom. (orig.) [de

  11. Synthesis of triazolyl methyl-substituted amino- and oxy-undeca-hydro-dodeca-borates for potential application in boron neutron capture therapy

    International Nuclear Information System (INIS)

    El-Zaria, M.E.; Genady, A.R.; Nakamura, H.; El-Zaria, M.E.; Genady, A.R.

    2010-01-01

    A general approach to the synthesis of triazole conjugates containing undeca-hydro-closo-dodeca-borate anions based on Huisgen 1, 3-dipolar cycloaddition is presented. Un-decahydro-closo-dodeca-borate anions bearing terminal alkyne groups were synthesized by the reaction of H 3 N-B 12 H 11 - or HO-B 12 H 11 2- with alkyne halides in N, N-dimethylformamide using KOH as a base. Variation of reaction time, alkyne halide concentration and steric demands of the alkyne halide resulted in the stepwise introduction of one to three alkyne groups into H 3 N-B 12 H 11 - . Two compounds {(CHCCH 2 )-N-B 12 H 11 - and (CHCCH 2 )O-B 12 H 11 2- } were crystallized for single-crystal X-ray diffraction studies. N- and O-alkyne un-decahydro-closo-dodeca-borate anions reacted with various functionalized azides including lipid, carborane, aryl and hydroxyalkyl groups. The current study provides various synthetic applications not only for BNCT but also for boron cluster materials. (authors)

  12. Boronated monoclonal antibody 225.28S for potential use in neutron capture therapy of malignant melanoma

    International Nuclear Information System (INIS)

    Tamat, S.R.; Moore, D.E.; Patwardhan, A.; Hersey, P.

    1989-01-01

    The concept of conjugating boron cluster compounds to monoclonal antibodies has been examined by several groups of research workers in boron neutron capture therapy (BNCT). The procedures reported to date for boronation of monoclonal antibodies resulted in either an inadequate level of boron incorporation, the precipitation of the conjugates, or a loss of immunological activity. The present report describes the conjugation of dicesium-mercapto-undecahydrododecaborate (Cs2B12H11SH) to 225.28S monoclonal antibody directed against high molecular weight melanoma-associated antigens (HMW-MAA), using poly-L-ornithine as a bridge to increase the carrying capacity of the antibody and to minimize change in the conformational structure of antibody. The method produces a boron content of 1,300 to 1,700 B atoms per molecule 225.28S while retaining the immunoreactivity. Characterization in terms of the homogeneity of the conjugation of the boron-monoclonal antibody conjugates has been studied by gel electrophoresis and ion-exchange HPLC

  13. Thermal desorption spectroscopy of boron/carbon films after keV deuterium irradiation

    International Nuclear Information System (INIS)

    Yamaki, T.; Gotoh, Y.; Ando, T.; Jimbou, R.; Ogiwara, N.; Saidoh, M.

    1994-01-01

    Thermal desorption spectroscopy (TDS) of D 2 and CD 4 was done on boron/carbon films (B/(B+C)=0-74%), after 3 keV D 3 + irradiation to 4.5x10 17 D/cm 2 at 473 K. The D 2 desorption peaks were observed at 1050, 850 and 650 K. For a sputter B/C film (0%), only the 1050 K peak was observed. With increasing boron concentration to 3%, a sharp peak appeared at 850 K, the intensity of which was found to increase with increasing boron concentration to 23%, and then to decrease at 74%. The 650 K shoulder, which was observed for high boron concentration specimens, was speculated to be deuterium trapped by boron atoms in the boron clusters. The relative amount of CD 4 desorption was found to decrease with increasing boron concentration, which was attributed to the decrease in the trapped deuterium concentration in the implantation layer at temperatures at which CD 4 desorption proceeds. ((orig.))

  14. A full-potential linear-muffin-tin-orbital molecular-dynamics study of B{sub 7}, B{sub 10} and B{sub 13} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Cao Peilin Cao; Zhao Wei; Li Baoxing; Song Bin; Zhou Xuyan [Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang (China)

    2001-06-04

    The structures of B{sub 7}, B{sub 10} and B{sub 13} boron clusters are studied using the full-potential linear-muffin-tin-orbital molecular-dynamics method. Seven stable structures for B{sub 7} and fifteen for B{sub 10} have been obtained. C{sub 2h}-B{sub 10} is the most stable among the 15 structures, but C{sub 2v}-B{sub 10} is not stable. For B{sub 13}, three degenerate ground-state structures have been found. The potential surface near C{sub 2v}-B{sub 7} (ground state) and D{sub 6h}-B{sub 7} is very flat. As a fundamental unit in constructing bigger clusters, C{sub 2v}-B{sub 7} will change its form easily. The most stable structures for B{sub 7}, B{sub 10} and B{sub 13} clusters are two-dimensional (quasi-) planar clusters, rather than the three-dimensional ones. General speaking, these clusters obey the 'Aufbau principle'. (author)

  15. Boron-containing thioureas for neutron capture therapy. Borhaltige Thioharnstoffe fuer die Neutroneneinfangtherapie

    Energy Technology Data Exchange (ETDEWEB)

    Ketz, H.

    1993-10-21

    Melanin is produced in large amounts in malignant melanotic melanomas. Because thiourea compounds are covalently incorporated into melanin during its biosynthesis, the preparation of boronated thiourea-derivatives is of particular interest for the BNCT (Boron Neutron Capture Therapy). Accumulation of boron in tumors by means of boronated thiourea-derivatives may therefore provide levels of [sup 10]B which are useful for BNCT. In BNCT the tumor containing the boron compound is irradiated with epithermal neutrons to generate He- and Li-nuclei from the [sup 10]B which can then destroy the tumor cells. Because of the short ranges of these particles (approximately one cell diameter) the damage will be almost exclusively confined to the tumor leaving normal tissue unharmed. High accumulation of 2-mercapto-1-methylimidazole (methimazole) in melanotic melanomas has been described in the literature. Boronated derivatives of methimazole were therefore synthesized. Boron was in the form of a boronic acid, a nido-carbonate and a mercaptoundeca hydro-closo-dodecaborate (BSH). The synthesis of the boron cluster derivatives of methimazole (nido-carborate- and BSH-derivatives) with 9 resp. 12 boron atoms in the molecule were expected to achieve higher concentrations of boron in the tumor than in the case of the boronic acid compound with its single boron atom. (orig.)

  16. Carbothermal Reduction of Iron Ore in Its Concentrate-Agricultural Waste Pellets

    Directory of Open Access Journals (Sweden)

    Zhulin Liu

    2018-01-01

    Full Text Available Carbon-containing pellets were prepared with the carbonized product of agricultural wastes and iron concentrate, and an experimental study on the direct reduction was carried out. The experimental results demonstrated that carbon-containing pellets could be rapidly reduced at 1200 to 1300°C in 15 minutes, and the proper holding time at high temperature was 15 to 20 min. The degree of reduction gradually increased with temperature rising, and the appropriate temperature of reducing pellets was 1200°C. The weight loss rate and reduction degree of pellets increased with the rise of carbon proportion, and the relatively reasonable mole ratio of carbon to oxygen was 0.9. A higher content of carbon and an appropriate content of volatile matters in biomass char were beneficial to the reduction of pellets. The carbon-containing pellets could be reduced at high speeds in the air, but there was some reoxidization phenomenon.

  17. Apparatus for producing carbon-coated nanoparticles and carbon nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Perry, W. Lee; Weigle, John C.; Phillips, Jonathan

    2015-10-20

    An apparatus for producing carbon-coated nano- or micron-scale particles comprising a container for entraining particles in an aerosol gas, providing an inlet for carbon-containing gas, providing an inlet for plasma gas, a proximate torch for mixing the aerosol gas, the carbon-containing gas, and the plasma gas, bombarding the mixed gases with microwaves, and providing a collection device for gathering the resulting carbon-coated nano- or micron-scale particles. Also disclosed is a method and apparatus for making hollow carbon nano- or micro-scale spheres.

  18. Pyrolyzed thin film carbon

    Science.gov (United States)

    Tai, Yu-Chong (Inventor); Liger, Matthieu (Inventor); Harder, Theodore (Inventor); Konishi, Satoshi (Inventor); Miserendino, Scott (Inventor)

    2010-01-01

    A method of making carbon thin films comprises depositing a catalyst on a substrate, depositing a hydrocarbon in contact with the catalyst and pyrolyzing the hydrocarbon. A method of controlling a carbon thin film density comprises etching a cavity into a substrate, depositing a hydrocarbon into the cavity, and pyrolyzing the hydrocarbon while in the cavity to form a carbon thin film. Controlling a carbon thin film density is achieved by changing the volume of the cavity. Methods of making carbon containing patterned structures are also provided. Carbon thin films and carbon containing patterned structures can be used in NEMS, MEMS, liquid chromatography, and sensor devices.

  19. Parallel tiled Nussinov RNA folding loop nest generated using both dependence graph transitive closure and loop skewing.

    Science.gov (United States)

    Palkowski, Marek; Bielecki, Wlodzimierz

    2017-06-02

    RNA secondary structure prediction is a compute intensive task that lies at the core of several search algorithms in bioinformatics. Fortunately, the RNA folding approaches, such as the Nussinov base pair maximization, involve mathematical operations over affine control loops whose iteration space can be represented by the polyhedral model. Polyhedral compilation techniques have proven to be a powerful tool for optimization of dense array codes. However, classical affine loop nest transformations used with these techniques do not optimize effectively codes of dynamic programming of RNA structure predictions. The purpose of this paper is to present a novel approach allowing for generation of a parallel tiled Nussinov RNA loop nest exposing significantly higher performance than that of known related code. This effect is achieved due to improving code locality and calculation parallelization. In order to improve code locality, we apply our previously published technique of automatic loop nest tiling to all the three loops of the Nussinov loop nest. This approach first forms original rectangular 3D tiles and then corrects them to establish their validity by means of applying the transitive closure of a dependence graph. To produce parallel code, we apply the loop skewing technique to a tiled Nussinov loop nest. The technique is implemented as a part of the publicly available polyhedral source-to-source TRACO compiler. Generated code was run on modern Intel multi-core processors and coprocessors. We present the speed-up factor of generated Nussinov RNA parallel code and demonstrate that it is considerably faster than related codes in which only the two outer loops of the Nussinov loop nest are tiled.

  20. Mechanism of ruthenium dioxide crystallization during high level waste vitrification

    International Nuclear Information System (INIS)

    Boucetta, H.

    2012-01-01

    Ruthenium, arising from the reprocessing of spent uranium oxide fuel, has a low solubility in glass melt. It crystallizes in the form of particles of RuO 2 of acicular or polyhedral morphology dispersed in fission product and actinides waste containment glass. Since the morphology of these particles strongly influences the physico-chemical properties, the knowledge and the control of their mechanism of formation are of major importance. The goal of this work is to determine the chemical reactions responsible for the formation of RuO 2 particles of acicular or polyhedral shape during glass synthesis. Using a simplification approach, the reactions between RuO 2 -NaNO 3 , and more complex calcine RuO 2 -Al 2 O 3 -Na 2 O and a sodium borosilicate glass are studied. In situ scanning electron microscopy and XANES at increasing temperatures are used to follow changes in composition, speciation and morphology of the ruthenium intermediate species. Those compounds are thoroughly characterised by SEM, XRD, HRTEM, and ruthenium K-edge X-ray absorption spectroscopy. This combined approach allows us to show that the ruthenium speciation modification during vitrification is the key of control of the morphology of RuO 2 particles in the glass. In particular, the formation of a specific intermediate compound (Na 3 RuO 4 ) is one of the main steps that lead to the precipitation of needle-shaped RuO 2 particles in the melt. The formation of polyhedral particles, on the contrary, results from the direct incorporation of RuO 2 crystals in the melt followed by an Ostwald ripening mechanism. (author) [fr

  1. Improvements in or relating to refractory oxide protective coatings for fuel can

    International Nuclear Information System (INIS)

    Cairns, J.A.; Bennett, M.J.; Linacre, J.K.

    1981-01-01

    An improved coating for Advanced Gas Cooled Nuclear Reactor austenitic stainless steel fuel cans is described which, tests have shown, inhibits the deposition of carbon on the cans in carbon-containing ionising radiation environments. The coating comprises a refractory oxide which has been prepared by a vapour phase condensation method, in combination with a noble metal. (U.K.)

  2. An Expert System for Managing Storage Space Constraints Aboard United States Naval Vessels

    Science.gov (United States)

    1991-12-01

    d. solvents, thinners, primers, cmpounds, varnishes , and lacquers i e. alcohol, acetone, ether, and naphtha; f. greases * nd pastes Except for...suffocation. Malocarbon liquids are compounds of carbon containing any of the halogen elements ( fluorine , chlorine, bromine, iodine, or astatine. (Examples are

  3. The laser surface alloying of the surface layer of the plain carbon steel

    International Nuclear Information System (INIS)

    Woldan, A.; Kusinski, J.

    2003-01-01

    The paper describes the microstructure and properties (chemical composition, microhardness and the effect of tribological test of the surface laser alloyed layer with tantalum. Scanning electron microscopy examinations show structure, which consist of martensite and Ta2C carbides. Samples covered with Ta and the carbon containing binder showed after laser alloying higher hardness than in case of using silicon-containing binder. (author)

  4. Thermal behaviour of hydroxides, hydroxysalts and hydrotalcites

    Indian Academy of Sciences (India)

    Unknown

    In many systems one or more of these steps ... decomposition of carbonate containing Mg–Al hydro- talcite is .... 1998, 1999) indicate that these decompose in a single step. ... Oswald H R and Asper R 1977 in Preparation and crystal growth of ...

  5. Effect of biogenic carbon inventory on the life cycle assessment of bioenergy: challenges to the neutrality assumption

    NARCIS (Netherlands)

    Wiloso, E.I.; Heijungs, R.; Huppes, G.; Fang, K.

    2016-01-01

    Biogenic carbon is defined as carbon contained in biomass that is accumulated during plant growth. In spite of the considerable progress towards the inventory of biogenic carbon in the life cycle assessment (LCA) of bioenergy in policy guidelines, many scientific articles tend to give no

  6. Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges.

    Science.gov (United States)

    García-Deibe, Ana M; Portela-García, Cristina; Fondo, Matilde; Mota, Antonio J; Sanmartín-Matalobos, Jesús

    2012-10-11

    A decanuclear Cd complex has been found as a carbonate-containing capsule. The structure strongly resembles a ten-blade waterwheel with a central carbonate ligand surrounded by two superimposed Cd(5)O(5) crowns with a pentagonal antiprism-like disposition. The capsule is doubly capped by two pentadentate perchlorate anions.

  7. Molten salt reactors. Synthesis of studies realized between 1973 and 1983. Carbon-materials file

    International Nuclear Information System (INIS)

    1983-03-01

    The study of a molten salt fueled reactor requires a thorough examination of carbon containing materials for moderator, reflectors and structural materials. Are examined: texture, structure, physical and mechanical properties, chemical purity, neutron irradiation, salt-graphite and salt-lead interactions for different types of graphite. [fr

  8. 40 CFR 455.31 - Specialized definitions.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Specialized definitions. 455.31 Section 455.31 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES....31 Specialized definitions. (a) “Metallo-organic active ingredients” means carbon containing active...

  9. Assessment of full ceramic solid oxide fuel cells based on modified strontium titanates

    DEFF Research Database (Denmark)

    Holtappels, Peter; Ramos, Tania; Sudireddy, Bhaskar Reddy

    2014-01-01

    stimulated the development for full ceramic anodes based on strontium titanates. Furthermore, the Ni-cermet is primarily a hydrogen oxidation electrode and efficiency losses might occur when operating on carbon containing fuels. In the European project SCOTAS-SOFC full ceramic cells comprising CGO...

  10. Variation in Plant Litter Decomposition Rates across Extreme Dry Environments in Qatar

    NARCIS (Netherlands)

    Alsafran, Mohammed; Sarneel, J.M.; Alatalo, Juha

    2017-01-01

    Decomposition of plant litter is a key process for transfer of carbon and nutrients in ecosystems. Carbon contained in decaying biomass is released to the atmosphere as respired CO2, a greenhouse gas that contributes to global warming. To our knowledge, there have been no studies on litter

  11. PAH processing in space

    NARCIS (Netherlands)

    Micelotta, Elisabetta Rita

    2009-01-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are one of the most common chemical compounds on Earth. These big molecules are naturally present in crude oil and coal deposits, and are also formed by incomplete combustion of carbon-containing fuels, hence they are found in car exhaust, cigarette smoke and

  12. The creation of hypersonic flows by a powerful impulse capillary discharge

    Science.gov (United States)

    Pashchina, A. S.; Karmatsky, R. E.; Klimov, A. I.

    2017-11-01

    The possibility of using a powerful pulsed capillary discharge to produce quasi-stationary highspeed plasma flows with characteristic Mach numbers M = 3-10 and temperatures T = 3000-6000 K has been experimentally substantiated. In a rarefied gas atmosphere ( p ∞ condensed particles in a carbon-containing plasma.

  13. Reaction of boron carbide with molybdenum disilicide

    International Nuclear Information System (INIS)

    Novikov, A.V.; Melekhin, V.F.; Pegov, V.S.

    1989-01-01

    The investigation results of interaction in the B 4 C-MoSi 2 system during sintering in vacuum are presented. Sintering of boron carbide with molybdenum disilicide is shown to lead to the formation of MoB 2 , SiC, Mo 5 Si 3 compounds, the presence of carbon-containing covering plays an important role in sintering

  14. Method for the fabrication of nuclear fuel bodies

    International Nuclear Information System (INIS)

    Davis, D.E.; Leary, D.F.

    1976-01-01

    According to the method, graphite particles are treated with a liquid impregnating agent containing heat-hardenable resin components; the resulting particles are mixed with nuclear fuel particles, and a nuclear fuel body is formed by binding the mixture of particles into a cohesive mass by means of a carbon-contained binder. The claim concerns the details of the process. (UA) [de

  15. Two-party Bell inequalities derived from combinatorics via triangular elimination

    International Nuclear Information System (INIS)

    Avis, David; Imai, Hiroshi; Ito, Tsuyoshi; Sasaki, Yuuya

    2005-01-01

    We establish a relation between the two-party Bell inequalities for two-valued measurements and a high-dimensional convex polytope called the cut polytope in polyhedral combinatorics. Using this relation, we propose a method, triangular elimination, to derive tight Bell inequalities from facets of the cut polytope. This method gives two hundred million inequivalent tight Bell inequalities from currently known results on the cut polytope. In addition, this method gives general formulae which represent families of infinitely many Bell inequalities. These results can be used to examine general properties of Bell inequalities

  16. On the computation of the demagnetization tensor for uniformly magnetized particles of arbitrary shape. Part I: Analytical approach

    International Nuclear Information System (INIS)

    Tandon, S.; Beleggia, M.; Zhu, Y.; De Graef, M.

    2004-01-01

    A Fourier space formalism based on the shape amplitude of a particle is used to compute the demagnetization tensor field for uniformly magnetized particles of arbitrary shape. We provide a list of explicit shape amplitudes for important particle shapes, among others: the sphere, the cylindrical tube, an arbitrary polyhedral shape, a truncated paraboloid, and a cone truncated by a spherical cap. In Part I of this two-part paper, an analytical representation of the demagnetization tensor field for particles with cylindrical symmetry is provided, as well as expressions for the magnetostatic energy and the volumetric demagnetization factors

  17. Engineering the oxygen coordination in digital superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Cook, Seyoung [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Andersen, Tassie K. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Hong, Hawoong [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Rosenberg, Richard A. [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Marks, Laurence D. [Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Fong, Dillon D. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

    2017-12-01

    The oxygen sublattice in the complex oxides is typically composed of corner-shared polyhedra, with transition metals at their centers. The electronic and chemical properties of the oxide depend on the type and geometric arrangement of these polyhedra, which can be controlled through epitaxial synthesis. Here, we use oxide molecular beam epitaxy to create SrCoOx:SrTiO3 superlattices with tunable oxygen coordination environments and sublattice geometries. Using soft X-ray spectroscopy, we find that the chemical state of Co can be varied with the polyhedral arrangement, demonstrating a new strategy for achieving unique electronic properties in the transition metal oxides.

  18. Convenient Model for Systems with Hystereses-Control

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Leth, John-Josef

    2011-01-01

    We establish a model of a system with hystereses, which allows for standard stability analysis of fixed points and closed orbits. To this end, we represent a system with hystereses as a piecewise-affine switched system that consists of a family of dynamical systems defined on disjoint polyhedral ....... Thereby, the analysis of a system with hystereses can be seen as the analysis of a dynamical system on a manifold, locally in chars. This dynamical system corresponds to a differential equation with discontinuous right hand side which solution is shown to exist and to be unique....

  19. Scanning and transmission electron microscopy of a craniopharyngioma: x-ray microanalytical study of the intratumoral mineralized deposits

    Energy Technology Data Exchange (ETDEWEB)

    Vilches, J.; Lopez, A.; Martinez, M.C.; Gomez, J.; Barbera, J.

    This paper discusses the value of scanning electron microscopy (SEM) and x-ray microanalysis in the classification of craniopharyngiomas. This neoplasm shows epithelial nest, cords of cuboid cells, foci of squamous metaplasia, and microcystic degeneration. SEM reveals that the epithelial cysts are lined with elongated cells that possess numerous microvilli and blebs and that some cysts are lined with polyhedral cells. The microvilli are interpreted as characteristic of the fast growing craniopharyngiomas. A microanalytical study of the calcified areas reveals the presence of magnesium, phosphorus, and calcium.

  20. Interactive Modeling of Architectural Freeform Structures - Combining Geometry with Fabrication and Statics

    KAUST Repository

    Jiang, Caigui

    2014-09-01

    This paper builds on recent progress in computing with geometric constraints, which is particularly relevant to architectural geometry. Not only do various kinds of meshes with additional properties (like planar faces, or with equilibrium forces in their edges) become available for interactive geometric modeling, but so do other arrangements of geometric primitives, like honeycomb structures. The latter constitute an important class of geometric objects, with relations to “Lobel” meshes, and to freeform polyhedral patterns. Such patterns are particularly interesting and pose research problems which go beyond what is known for meshes, e.g. with regard to their computing, their flexibility, and the assessment of their fairness.

  1. An LP-based heuristic for the fixed charge transportation problem

    DEFF Research Database (Denmark)

    Klose, Andreas

    2007-01-01

    The fixed charge transportation problem consists in finding a minimum cost network flow from a set of suppliers to a set of customers. Beside costs proportional to quantities transported, transportation costs also include a fixed charge. The paper describes a linear programming based heuristic...... approach for computing lower and upper bounds on the minimal cost. To this end, the LP relaxation is iteratively strengthened by means of adding cuts; in each iteration the current LP solution is then used to guide a local search heuristic. In addition to standard polyhedral cuts as lifted cover...

  2. Discrete Element Method Simulation of a Boulder Extraction From an Asteroid

    Science.gov (United States)

    Kulchitsky, Anton K.; Johnson, Jerome B.; Reeves, David M.; Wilkinson, Allen

    2014-01-01

    The force required to pull 7t and 40t polyhedral boulders from the surface of an asteroid is simulated using the discrete element method considering the effects of microgravity, regolith cohesion and boulder acceleration. The connection between particle surface energy and regolith cohesion is estimated by simulating a cohesion sample tearing test. An optimal constant acceleration is found where the peak net force from inertia and cohesion is a minimum. Peak pulling forces can be further reduced by using linear and quadratic acceleration functions with up to a 40% reduction in force for quadratic acceleration.

  3. The Galerkin finite element method for a multi-term time-fractional diffusion equation

    KAUST Repository

    Jin, Bangti

    2015-01-01

    © 2014 The Authors. We consider the initial/boundary value problem for a diffusion equation involving multiple time-fractional derivatives on a bounded convex polyhedral domain. We analyze a space semidiscrete scheme based on the standard Galerkin finite element method using continuous piecewise linear functions. Nearly optimal error estimates for both cases of initial data and inhomogeneous term are derived, which cover both smooth and nonsmooth data. Further we develop a fully discrete scheme based on a finite difference discretization of the time-fractional derivatives, and discuss its stability and error estimate. Extensive numerical experiments for one- and two-dimensional problems confirm the theoretical convergence rates.

  4. Surface-enhanced raman spectroscopy substrate for arsenic sensing in groundwater

    Science.gov (United States)

    Yang, Peidong; Mulvihill, Martin; Tao, Andrea R.; Sinsermsuksakul, Prasert; Arnold, John

    2015-06-16

    A surface-enhanced Raman spectroscopy (SERS) substrate formed from a plurality of monolayers of polyhedral silver nanocrystals, wherein at least one of the monolayers has polyvinypyrrolidone (PVP) on its surface, and thereby configured for sensing arsenic is described. Highly active SERS substrates are formed by assembling high density monolayers of differently shaped silver nanocrystals onto a solid support. SERS detection is performed directly on this substrate by placing a droplet of the analyte solution onto the nanocrystal monolayer. Adsorbed polymer, polyvinypyrrolidone (PVP), on the surface of the nanoparticles facilitates the binding of both arsenate and arsenite near the silver surface, allowing for highly accurate and sensitive detection capabilities.

  5. Elastic energy for reflection-symmetric topologies

    International Nuclear Information System (INIS)

    Majumdar, A; Robbins, J M; Zyskin, M

    2006-01-01

    Nematic liquid crystals in a polyhedral domain, a prototype for bistable displays, may be described by a unit-vector field subject to tangent boundary conditions. Here we consider the case of a rectangular prism. For configurations with reflection-symmetric topologies, we derive a new lower bound for the one-constant elastic energy. For certain topologies, called conformal and anticonformal, the lower bound agrees with a previous result. For the remaining topologies, called nonconformal, the new bound is an improvement. For nonconformal topologies we derive an upper bound, which differs from the lower bound by a factor depending only on the aspect ratios of the prism

  6. Crystal structure of ammonium divanadium(IV,V tellurium(IV heptaoxide

    Directory of Open Access Journals (Sweden)

    William T. A. Harrison

    2014-07-01

    Full Text Available The polyhedral building blocks of the layered inorganic network in the mixed-valence title compound, (NH4(VIVO2(VVO2(TeO3, are vertex-sharing VVO4 tetrahedra, distorted VIVO6 octahedra and TeO3 pyramids, which are linked by V—O—V and V—O—Te bonds, forming double layers lying parallel to (100. The presumed TeIV lone-pairs of electrons appear to be directed inwards into cavities in the double layers. The charge-balancing ammonium cations lie between the layers and probably interact with them via N—H...O hydrogen bonds.

  7. Grain breakage under uniaxial compression, through 3D DEM modelling

    Directory of Open Access Journals (Sweden)

    Nader François

    2017-01-01

    Full Text Available A breakable grain model is presented, using the concept of particles assembly. Grains of polyhedral shapes are generated, formed by joining together tetrahedral subgrains using cohesive bonds. Single grain crushing simulations are performed for multiple values of the intra-granular cohesion to study the effect on the grain’s strength. The same effect of intra-granular cohesion is studied under oedometric compression on samples of around 800 grains, which allows the evaluation of grain breakage model on the macroscopic behaviour. Grain size distribution curves and grain breakage ratios are monitored throughout the simulations.

  8. Crystallization inhibitors for amorphous oxides

    International Nuclear Information System (INIS)

    Reznitskij, L.A.; Filippova, S.E.

    1993-01-01

    Data for the last 10 years, in which experimental results of studying the temperature stabilization of x-ray amorphous oxides (including R 3 Fe 5 O 12 R-rare earths, ZrO 2 , In 2 O 3 , Sc 2 O 3 ) and their solid solution are presented, are generalized. Processes of amorphous oxide crystallization with the production of simple oxides, solid solutions and chemical compounds with different polyhedral structure, are investigated. Energy and crystallochemical criteria for selecting the doping inhibitor-components stabilizing the amorphous state are ascertained, temperatures and enthalpies of amorpous oxide crystallization are determined, examination of certain provisions of iso,orphous miscibility theory is conducted

  9. Carbon nanostructures obtained by underwater arc discharge of graphite electrodes: Synthesis and characterization

    International Nuclear Information System (INIS)

    Darias Gonzalez, J. G.; Hernandez Tabare, L.; Herrera Palma, V.; Sierra Trujillo, J. S.; Desdin Garcia, L. F.; Codorniu Pujals, D.; Bermudez Martinez, A.; Arias de Fuentes, O.; Maury Toledo, A.

    2015-01-01

    In the present work, the application of the method of underwater arc discharge of graphite electrodes for obtaining several carbon nano structures is described. The analysis of the obtained products by Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Raman spectroscopy, Atomic Force Microscopy (AFM) and X-Ray Diffraction (XRD) showed that the samples collected from the material floating on the water surface were composed mainly by polyhedral onion-like particles, while those taken from the precipitate were a mixture multi walled nano-tubes, onion-like particles and other graphitic structures. The main features of the obtained nano structures are discussed. (Author)

  10. Gröbner bases and convex polytopes

    CERN Document Server

    Sturmfels, Bernd

    1995-01-01

    This book is about the interplay of computational commutative algebra and the theory of convex polytopes. It centers around a special class of ideals in a polynomial ring: the class of toric ideals. They are characterized as those prime ideals that are generated by monomial differences or as the defining ideals of toric varieties (not necessarily normal). The interdisciplinary nature of the study of Gröbner bases is reflected by the specific applications appearing in this book. These applications lie in the domains of integer programming and computational statistics. The mathematical tools presented in the volume are drawn from commutative algebra, combinatorics, and polyhedral geometry.

  11. Cytology of cardiac myxomas: presence of Ulex europaeus agglutinin-I (UEA-I) lectin by immunoperoxidase staining.

    Science.gov (United States)

    Iwa, N; Yutani, C

    1993-12-01

    Cytological findings are presented of seven cases of cardiac myxomas. Avidin-biotin-peroxidase complex (ABC) method was employed to demonstrate Ulex europaeus agglutinin-I (UEA-I) lectin in imprint smears as well as in paraffin-embedded tissue sections in cardiac myxomas. The cytology was characterized by tumor cells with polyhedral or stellate and mucinous background with lymphocytes, neutrophils, and hemosiderin-laden macrophages. In smears as well as tissue sections, UEA-I lectin was detected throughout the cytoplasm of myxoma cells. This study established the applicability of the immunoperoxidase staining for cardiac myxoma as an aid in cytopathological diagnosis.

  12. Carbon nanoencapsulation of uranium dicarbide

    International Nuclear Information System (INIS)

    Pasqualini, E.

    1996-01-01

    Nanoparticles of uranium dicarbide encapsulated in carbon smaller than 100 nm have been obtained by chemical reactions at high temperature. Two types of nanocapsules were identified and characterized. The majority of them had small diffuse kernel surfaces, with dimensions between 5 and 15 nm, surrounded by thick spherical carbon cover. Others, in minor quantity and ranging from 15 to 40 nm, were polyhedrical and surrounded with several perfect graphite layers oriented parallel to their external surface. The nanocapsules are as chemically inert as graphite. (orig.)

  13. Carbon nanoencapsulation of uranium dicarbide

    Energy Technology Data Exchange (ETDEWEB)

    Pasqualini, E. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Dept. Combustibles Nucleares; Adelfang, P. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Dept. Combustibles Nucleares; Regueiro, M.N. [EPM-Matformag, CNRS, Grenoble (France)

    1996-07-01

    Nanoparticles of uranium dicarbide encapsulated in carbon smaller than 100 nm have been obtained by chemical reactions at high temperature. Two types of nanocapsules were identified and characterized. The majority of them had small diffuse kernel surfaces, with dimensions between 5 and 15 nm, surrounded by thick spherical carbon cover. Others, in minor quantity and ranging from 15 to 40 nm, were polyhedrical and surrounded with several perfect graphite layers oriented parallel to their external surface. The nanocapsules are as chemically inert as graphite. (orig.).

  14. New Evidence of the Existence of Associative Elements of Water (Clusters)

    OpenAIRE

    Ignat Ignatov; Oleg Mosin

    2016-01-01

    In this review it is reported about new data on the structure of water cyclic associates (clusters) with general formula (Н2О)n and their charged ionic clusters [(Н2О)n]+ and [(Н2О)n]- by means of computer modelling and spectroscopy methods as 1Н-NMR, IR-spectroscopy, DNES, EXAFS-spectroscopy, X-Ray and neurons diffraction. The computer calculation of polyhedral nanoclusters (Н2О)n, where n = 3–20 are carried out. Based on this data the main structural mathematical models describing water str...

  15. Structural Models of Water and Ice Regarding the Energy of Hydrogen Bonding

    OpenAIRE

    Ignat Ignatov; Oleg Mosin

    2015-01-01

    In this review it is reported about the research on the structure of water and ice and intermolecular water cyclic associates (clusters) with general formula (Н2О)n and their charged ionic clusters [(Н2О)n]+ and [(Н2О)n]- by means of computer modelling and spectroscopy methods as 1Н-NMR, IR-spectroscopy, DNES, EXAFS-spectroscopy, X-Ray and neurons diffraction. The computer calculation of polyhedral nanoclusters (Н2О)n, where n = 3–20 are carried out. Based on this data the main structural mat...

  16. Model-based recognition of 3-D objects by geometric hashing technique

    International Nuclear Information System (INIS)

    Severcan, M.; Uzunalioglu, H.

    1992-09-01

    A model-based object recognition system is developed for recognition of polyhedral objects. The system consists of feature extraction, modelling and matching stages. Linear features are used for object descriptions. Lines are obtained from edges using rotation transform. For modelling and recognition process, geometric hashing method is utilized. Each object is modelled using 2-D views taken from the viewpoints on the viewing sphere. A hidden line elimination algorithm is used to find these views from the wire frame model of the objects. The recognition experiments yielded satisfactory results. (author). 8 refs, 5 figs

  17. Homotopy theory the mathematical works of J. H. C. whitehead

    CERN Document Server

    James, I M

    1962-01-01

    Homotopy Theory contains all the published mathematical work of J. H. C. Whitehead, written between 1947 and 1955. This volume considers the study of simple homotopy types, particularly the realization of problem for homotopy types. It describes Whitehead's version of homotopy theory in terms of CW-complexes.This book is composed of 21 chapters and begins with an overview of a theorem to Borsuk and the homotopy type of ANR. The subsequent chapters deal with four-dimensional polyhedral, the homotopy type of a special kind of polyhedron, and the combinatorial homotopy I and II. These topics are

  18. Synthesis and structural investigation of new Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) compounds

    Science.gov (United States)

    Patel, Akhilesh K.; Singh, Harishchandra; Suresh, K. G.

    2018-05-01

    The new polycrystalline compounds Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) were prepared by sol-gel method and their structural properties have been studied. Structural investigation through Rietveld method shows monoclinic structure with space group P21/c for all compounds. All compounds polyhedral structure found to be in octahedral form with cations (M) at the center and six oxygen atoms at corner of octahedral structure. The lattice parameters variation with Ni substitution are found to be decreasing with Ni substitution.

  19. High-resolution CT of lymphoid interstitial pneumonia

    International Nuclear Information System (INIS)

    Vilgrain, V.; Frija, J.; Yana, C.; Couderc, L.J.; David, M.; Clauvel, J.P.; Laval-Jeantet, M.

    1989-01-01

    Three patients with lymphoid interstitial pneumonia (two HIV 1+ patients with chronic lymphadenopathic syndromes and one with a not-characterized autoimmune disease) have been studied with high-resolution computed tomography (HR-CT). This technique reveals septal lines, small reticulonodular opacities, polyhedral micronodular opacities, 'ground-glass' opacities and a dense, subpleural, curved broken line in one patient. The lesions dominate in the bases of the lungs. They are not characteristic for lymphoid interstitial pneumonia. If a patient presents with a chronic lymphadenopathic syndrome, the diagnosis of an opportunistic infection should not be automatically made, since the syndrome can be caused by lymphoid interstitial pneumonia [fr

  20. A non-regular Groebner fan

    OpenAIRE

    Jensen, Anders N.

    2005-01-01

    The Groebner fan of an ideal $I\\subset k[x_1,...,x_n]$, defined by Mora and Robbiano, is a complex of polyhedral cones in $R^n$. The maximal cones of the fan are in bijection with the distinct monomial initial ideals of $I$ as the term order varies. If $I$ is homogeneous the Groebner fan is complete and is the normal fan of the state polytope of $I$. In general the Groebner fan is not complete and therefore not the normal fan of a polytope. We may ask if the restricted Groebner fan, a subdivi...

  1. Geometric fit of a point set by generalized circles

    DEFF Research Database (Denmark)

    Körner, Mark-Christopher; Brimberg, Jack; Juel, Henrik

    2010-01-01

    In our paper we approximate a set of given points by a general circle. More precisely, given two norms k 1 and k 2 and a set of points in the plane, we consider the problem of locating and scaling the unit circle of norm k 1 such that the sum of weighted distances between the circumference...... of the circle and the given points is minimized, where the distance is measured by a norm k 2. We present results for the general case. In the case that k 1 and k 2 are both polyhedral norms, we are able to solve the problem by investigating a finite candidate set....

  2. Diagonalization of the symmetrized discrete i th right shift operator

    Science.gov (United States)

    Fuentes, Marc

    2007-01-01

    In this paper, we consider the symmetric part of the so-called ith right shift operator. We determine its eigenvalues as also the associated eigenvectors in a complete and closed form. The proposed proof is elementary, using only basical skills such as Trigonometry, Arithmetic and Linear algebra. The first section is devoted to the introduction of the tackled problem. Second and third parts contain almost all the ?technical? stuff of the proofE Afterwards, we continue with the end of the proof, provide a graphical illustration of the results, as well as an application on the polyhedral ?sandwiching? of a special compact of arising in Signal theory.

  3. Mimetic Finite Differences for Flow in Fractures from Microseismic Data

    KAUST Repository

    Al-Hinai, Omar; Srinivasan, Sanjay; Wheeler, Mary F.

    2015-01-01

    We present a method for porous media flow in the presence of complex fracture networks. The approach uses the Mimetic Finite Difference method (MFD) and takes advantage of MFD's ability to solve over a general set of polyhedral cells. This flexibility is used to mesh fracture intersections in two and three-dimensional settings without creating small cells at the intersection point. We also demonstrate how to use general polyhedra for embedding fracture boundaries in the reservoir domain. The target application is representing fracture networks inferred from microseismic analysis.

  4. UNFOLDED REGULAR AND SEMI-REGULAR POLYHEDRA

    Directory of Open Access Journals (Sweden)

    IONIŢĂ Elena

    2015-06-01

    Full Text Available This paper proposes a presentation unfolding regular and semi-regular polyhedra. Regular polyhedra are convex polyhedra whose faces are regular and equal polygons, with the same number of sides, and whose polyhedral angles are also regular and equal. Semi-regular polyhedra are convex polyhedra with regular polygon faces, several types and equal solid angles of the same type. A net of a polyhedron is a collection of edges in the plane which are the unfolded edges of the solid. Modeling and unfolding Platonic and Arhimediene polyhedra will be using 3dsMAX program. This paper is intended as an example of descriptive geometry applications.

  5. Mechanochemical synthesis of fluorescent carbon dots from cellulose powders

    Science.gov (United States)

    Chae, Ari; Ram Choi, Bo; Choi, Yujin; Jo, Seongho; Kang, Eun Bi; Lee, Hyukjin; Park, Sung Young; In, Insik

    2018-04-01

    A novel mechanochemical method was firstly developed to synthesize carbon nanodots (CNDs) or carbon nano-onions (CNOs) through high-pressure homogenization of cellulose powders as naturally abundant resource depending on the treatment times. While CNDs (less than 5 nm in size) showed spherical and amorphous morphology, CNOs (10-50 nm in size) presented polyhedral shape, and onion-like outer lattice structure, graphene-like interlattice spacing of 0.36 nm. CNOs showed blue emissions, moderate dispersibility in aqueous media, and high cell viability, which enables efficient fluorescence imaging of cellular media.

  6. Graphics gems

    CERN Document Server

    Heckbert, Paul S

    1994-01-01

    Graphics Gems IV contains practical techniques for 2D and 3D modeling, animation, rendering, and image processing. The book presents articles on polygons and polyhedral; a mix of formulas, optimized algorithms, and tutorial information on the geometry of 2D, 3D, and n-D space; transformations; and parametric curves and surfaces. The text also includes articles on ray tracing; shading 3D models; and frame buffer techniques. Articles on image processing; algorithms for graphical layout; basic interpolation methods; and subroutine libraries for vector and matrix algebra are also demonstrated. Com

  7. Analysis of Low-Speed Stall Aerodynamics of a Business Jets Wing Using STAR-CCM+

    Science.gov (United States)

    Bui, Trong

    2016-01-01

    Reynolds-Averaged Navier-Stokes (RANS) computational fluid dynamics (CFD) analysis was conducted: to study the low-speed stall aerodynamics of a GIII aircrafts swept wing modified with (1) a laminar-flow wing glove, or (2) a seamless flap. The stall aerodynamics of these two different wing configurations were analyzed and compared with the unmodified baseline wing for low-speed flight. The Star-CCM+ polyhedral unstructured CFD code was first validated for wing stall predictions using the wing-body geometry from the First AIAA CFD High-Lift Prediction Workshop.

  8. Mimetic Finite Differences for Flow in Fractures from Microseismic Data

    KAUST Repository

    Al-Hinai, Omar

    2015-01-01

    We present a method for porous media flow in the presence of complex fracture networks. The approach uses the Mimetic Finite Difference method (MFD) and takes advantage of MFD\\'s ability to solve over a general set of polyhedral cells. This flexibility is used to mesh fracture intersections in two and three-dimensional settings without creating small cells at the intersection point. We also demonstrate how to use general polyhedra for embedding fracture boundaries in the reservoir domain. The target application is representing fracture networks inferred from microseismic analysis.

  9. Metrics of Justice. A Sundial's Nomological Figuration.

    Science.gov (United States)

    Behrmann, Carolin

    2015-01-01

    This paper examines a polyhedral dial from the British Museum made by the instrument maker Ulrich Schniep, and discusses the status of multifunctional scientific instruments. It discerns a multifaceted iconic meaning considering different dimensions such as scientific functionality (astronomy), the complex allegorical figure of Justice (iconography), and the representation of the sovereign (politics), the court and the Kunstkammer of Albrecht v of Bavaria. As a numen mixtum the figure of "Justicia" touches different fields that go far beyond pure astronomical measurement and represents the power of the ruler as well as the rules of economic justice.

  10. Conical differentiability for evolution variational inequalities

    Science.gov (United States)

    Jarušek, Jiří; Krbec, Miroslav; Rao, Murali; Sokołowski, Jan

    The conical differentiability of solutions to the parabolic variational inequality with respect to the right-hand side is proved in the paper. From one side the result is based on the Lipschitz continuity in H {1}/{2},1 (Q) of solutions to the variational inequality with respect to the right-hand side. On the other side, in view of the polyhedricity of the convex cone K={v∈ H;v |Σ c⩾0,v |Σ d=0}, we prove new results on sensitivity analysis of parabolic variational inequalities. Therefore, we have a positive answer to the question raised by Fulbert Mignot (J. Funct. Anal. 22 (1976) 25-32).

  11. Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

    Science.gov (United States)

    Adib, Kaveh

    Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

  12. A framework for analysing relationships between chemical composition and crystal structure in metal oxides

    International Nuclear Information System (INIS)

    Thomas, N.W.

    1991-01-01

    A computer program has been written to characterize the coordination polyhedra of metal cations in terms of their volumes and polyhedral elements, i.e. corners, edges and faces. The sharing of these corners, edges and faces between polyhedra is also quantitatively monitored. In order to develop the methodology, attention is focused on ternary oxides containing the Al 3+ ion, whose structures were retrieved from the Inorganic Crystal Structure Database (ICSD). This also permits an objective assessment of the applicability of Pauling's rules. The influence of ionic valence on the structures of these compounds is examined, by calculating electrostatic bond strengths. Although Pauling's second rule is not supported in detail, the calculation of oxygen-ion valence reveals a basic structural requirement, that the average calculated oxygen-ion valence in any ionic oxide structure is equal to 2. The analysis is further developed to define a general method for the prediction of novel chemical compositions likely to adopt a given desired structure. The polyhedral volumes of this structure are calculated, and use is made of standard ionic radii for cations in sixfold coordination. The electroneutrality principle is invoked to take valence considerations into account. This method can be used to guide the development of new compositions of ceramic materials with certain desirable physical properties. (orig.)

  13. Thickness and clearance visualization based on distance field of 3D objects

    Directory of Open Access Journals (Sweden)

    Masatomo Inui

    2015-07-01

    Full Text Available This paper proposes a novel method for visualizing the thickness and clearance of 3D objects in a polyhedral representation. The proposed method uses the distance field of the objects in the visualization. A parallel algorithm is developed for constructing the distance field of polyhedral objects using the GPU. The distance between a voxel and the surface polygons of the model is computed many times in the distance field construction. Similar sets of polygons are usually selected as close polygons for close voxels. By using this spatial coherence, a parallel algorithm is designed to compute the distances between a cluster of close voxels and the polygons selected by the culling operation so that the fast shared memory mechanism of the GPU can be fully utilized. The thickness/clearance of the objects is visualized by distributing points on the visible surfaces of the objects and painting them with a unique color corresponding to the thickness/clearance values at those points. A modified ray casting method is developed for computing the thickness/clearance using the distance field of the objects. A system based on these algorithms can compute the distance field of complex objects within a few minutes for most cases. After the distance field construction, thickness/clearance visualization at a near interactive rate is achieved.

  14. Glass-forming ability and stability of ternary Ni-early transition metal (Ti/Zr/Hf) alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India); Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India)]. E-mail: rangu@met.iisc.ernet.in

    2006-08-15

    Four Ni-bearing Ti, Zr and Hf ternary alloys of nominal composition Zr{sub 41.5}Ti{sub 41.5}Ni{sub 17}, Zr{sub 25}Ti{sub 25}Ni{sub 50}, Zr{sub 41.5}Hf{sub 41.5}Ni{sub 17} and Ti{sub 41.5}Hf{sub 41.5}Ni{sub 17} were rapidly solidified in order to produce ribbons. The Zr-Ti-Ni and Ti-Hf-Ni alloys become amorphous, whereas the Zr-Hf-Ni alloy shows precipitation of a cubic phase. The devitrification of all three alloys was followed and the relative tendency to form nanoquasicrystals and cF96 phases analysed. The relative glass-forming ability of the alloys can be explained by taking into account their atomic size difference. Addition of Ni often leads to quasicrystallisation or quasicrystal-related phases. This can be explained by the atomic radius and heat of mixing of the constituent elements. The phases precipitated at the initial stages of crystallisation indicate the possible presence of Frank-Kasper polyhedral structure in the amorphous alloys. Structural analysis reveals that the Laves and the anti-Laves phases have the same polyhedral structural unit, which is similar to the structural characteristics of glass.

  15. Model for the architecture of caveolae based on a flexible, net-like assembly of Cavin1 and Caveolin discs.

    Science.gov (United States)

    Stoeber, Miriam; Schellenberger, Pascale; Siebert, C Alistair; Leyrat, Cedric; Helenius, Ari; Grünewald, Kay

    2016-12-13

    Caveolae are invaginated plasma membrane domains involved in mechanosensing, signaling, endocytosis, and membrane homeostasis. Oligomers of membrane-embedded caveolins and peripherally attached cavins form the caveolar coat whose structure has remained elusive. Here, purified Cavin1 60S complexes were analyzed structurally in solution and after liposome reconstitution by electron cryotomography. Cavin1 adopted a flexible, net-like protein mesh able to form polyhedral lattices on phosphatidylserine-containing vesicles. Mutating the two coiled-coil domains in Cavin1 revealed that they mediate distinct assembly steps during 60S complex formation. The organization of the cavin coat corresponded to a polyhedral nano-net held together by coiled-coil segments. Positive residues around the C-terminal coiled-coil domain were required for membrane binding. Purified caveolin 8S oligomers assumed disc-shaped arrangements of sizes that are consistent with the discs occupying the faces in the caveolar polyhedra. Polygonal caveolar membrane profiles were revealed in tomograms of native caveolae inside cells. We propose a model with a regular dodecahedron as structural basis for the caveolae architecture.

  16. Intrinsic flexibility of porous materials; theory, modelling and the flexibility window of the EMT zeolite framework

    International Nuclear Information System (INIS)

    Fletcher, Rachel E.; Wells, Stephen A.; Leung, Ka Ming; Edwards, Peter P.; Sartbaeva, Asel

    2015-01-01

    Framework materials possess intrinsic flexibility which can be investigated using geometric simulation. We review framework flexibility properties in energy materials and present novel results on the flexibility window of the EMT zeolite framework containing 18-crown-6 ether as a structure directing agent (SDA). Framework materials have structures containing strongly bonded polyhedral groups of atoms connected through their vertices. Typically the energy cost for variations of the inter-polyhedral geometry is much less than the cost of distortions of the polyhedra themselves – as in the case of silicates, where the geometry of the SiO 4 tetrahedral group is much more strongly constrained than the Si—O—Si bridging angle. As a result, framework materials frequently display intrinsic flexibility, and their dynamic and static properties are strongly influenced by low-energy collective motions of the polyhedra. Insight into these motions can be obtained in reciprocal space through the ‘rigid unit mode’ (RUM) model, and in real-space through template-based geometric simulations. We briefly review the framework flexibility phenomena in energy-relevant materials, including ionic conductors, perovskites and zeolites. In particular we examine the ‘flexibility window’ phenomenon in zeolites and present novel results on the flexibility window of the EMT framework, which shed light on the role of structure-directing agents. Our key finding is that the crown ether, despite its steric bulk, does not limit the geometric flexibility of the framework

  17. Morphologically and size uniform monodisperse particles and their shape-directed self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen; Murray, Christopher Bruce

    2017-09-12

    Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Also disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.

  18. Observation of interstitial molecular hydrogen in clathrate hydrates.

    Science.gov (United States)

    Grim, R Gary; Barnes, Brian C; Lafond, Patrick G; Kockelmann, Winfred A; Keen, David A; Soper, Alan K; Hiratsuka, Masaki; Yasuoka, Kenji; Koh, Carolyn A; Sum, Amadeu K

    2014-09-26

    The current knowledge and description of guest molecules within clathrate hydrates only accounts for occupancy within regular polyhedral water cages. Experimental measurements and simulations, examining the tert-butylamine + H2 + H2O hydrate system, now suggest that H2 can also be incorporated within hydrate crystal structures by occupying interstitial sites, that is, locations other than the interior of regular polyhedral water cages. Specifically, H2 is found within the shared heptagonal faces of the large (4(3)5(9)6(2)7(3)) cage and in cavities formed from the disruption of smaller (4(4)5(4)) water cages. The ability of H2 to occupy these interstitial sites and fluctuate position in the crystal lattice demonstrates the dynamic behavior of H2 in solids and reveals new insight into guest-guest and guest-host interactions in clathrate hydrates, with potential implications in increasing overall energy storage properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Relevance of capsid structure in the buckling and maturation of spherical viruses

    International Nuclear Information System (INIS)

    Aznar, María; Luque, Antoni; Reguera, David

    2012-01-01

    The shape and mechanical properties of viral capsids play an important role in several biological processes during the virus life cycle. In particular, to become infective, many viruses require a maturation stage where the capsid undergoes a buckling transition, from an initial spherical procapsid into a final icosahedral faceted shell. Here we study, using a minimal physical model, how the capsid shape and the buckling transition depend on the triangulation number T and the icosahedral class P of the virus structure. We find that, for small shells, capsids with P = 1 are most likely to produce polyhedral shapes that minimize their energy and accumulated stress, whereas viruses with P = 3 prefer to remain spherical. For big capsids, all shells are more stable adopting an icosahedral shape, in agreement with continuum elastic theory. Moreover, spherical viruses show a buckling transition to polyhedral shells under expansion, in consonance with virus maturation. The resulting icosahedral shell is mechanically stiffer, tolerates larger expansions and withstands higher internal pressures before failing, which could explain why some dsDNA viruses, which rely on the pressurization of their genetic material to facilitate the infection, undergo a buckling transition. We emphasize that the results are general and could also be applied to non-biological systems. (paper)

  20. Chondrogenic potential of bone marrow–derived mesenchymal stem cells on a novel, auricular-shaped, nanocomposite scaffold

    Directory of Open Access Journals (Sweden)

    Kavi H Patel

    2013-12-01

    Full Text Available Reconstruction of the human auricle remains a challenge to plastic surgeons, and current approaches are not ideal. Tissue engineering provides a promising alternative. This study aims to evaluate the chondrogenic potential of bone marrow–derived mesenchymal stem cells on a novel, auricular-shaped polymer. The proposed polyhedral oligomeric silsesquioxane-modified poly(hexanolactone/carbonateurethane/urea nanocomposite polymer has already been transplanted in patients as the world’s first synthetic trachea, tear duct and vascular bypass graft. The nanocomposite scaffold was fabricated via a coagulation/salt-leaching method and shaped into an auricle. Adult bone marrow–derived mesenchymal stem cells were isolated, cultured and seeded onto the scaffold. On day 21, samples were sent for scanning electron microscopy, histology and immunofluorescence to assess for neocartilage formation. Cell viability assay confirmed cytocompatability and normal patterns of cellular growth at 7, 14 and 21 days after culture. This study demonstrates the potential of a novel polyhedral oligomeric silsesquioxane-modified poly(hexanolactone/carbonateurethane/urea scaffold for culturing bone marrow–derived mesenchymal stem cells in chondrogenic medium to produce an auricular-shaped construct. This is supported by scanning electron microscopy, histological and immunofluorescence analysis revealing markers of chondrogenesis including collagen type II, SOX-9, glycosaminoglycan and elastin. To the best of our knowledge, this is the first report of stem cell application on an auricular-shaped scaffold for tissue engineering purposes. Although many obstacles remain in producing a functional auricle, this is a promising step forward.

  1. Cell packing structures

    KAUST Repository

    Pottmann, Helmut

    2015-03-03

    This paper is an overview of architectural structures which are either composed of polyhedral cells or closely related to them. We introduce the concept of a support structure of such a polyhedral cell packing. It is formed by planar quads and obtained by connecting corresponding vertices in two combinatorially equivalent meshes whose corresponding edges are coplanar and thus determine planar quads. Since corresponding triangle meshes only yield trivial structures, we focus on support structures associated with quad meshes or hex-dominant meshes. For the quadrilateral case, we provide a short survey of recent research which reveals beautiful relations to discrete differential geometry. Those are essential for successfully initializing numerical optimization schemes for the computation of quad-based support structures. Hex-dominant structures may be designed via Voronoi tessellations, power diagrams, sphere packings and various extensions of these concepts. Apart from the obvious application as load-bearing structures, we illustrate here a new application to shading and indirect lighting. On a higher level, our work emphasizes the interplay between geometry, optimization, statics, and manufacturing, with the overall aim of combining form, function and fabrication into novel integrated design tools.

  2. Subaqueous rhyolite block lavas in the Miocene Ushikiri Formation, Shimane Peninsula, SW Japan

    Science.gov (United States)

    Kano, Kazuhiko; Takeuchi, Keiji; Yamamoto, Takahiro; Hoshizumi, Hideo

    1991-06-01

    A rhyolite mass of the Miocene Ushikiri Formation in the western part of the Shimane Peninsula, SW Japan, is a small subaqueous edifice about 600 m high and 4 km wide, formed at water depths between 200 and 1000 m. It consists mainly of three relatively flat, lava-flow units 50-300 m in maximum thickness, each of which includes lobes and their polyhedral fragments. The lava lobes are poorly to well vesiculated, glassy to microcrystalline and flow-banded and -folded. Compared with mafic pillows, they are large, having thick, quenched and brecciated, glassy crusts because of their high viscosity, surface tension and thermal conductivity. Their surfaces disintegrate into polyhedral fragments and grade into massive volcanic breccia. The massive volcanic breccia composed of the lobe fragments is poorly sorted and covered with stratified volcanic breccia of the same rock type. The rhyolite lavas commonly bifurcate in a manner similar to mafic pillow lavas. However, they are highly silicic with 1-5 vol.% phenocrysts and have elongated vesicles and flow-folds, implying that they were visco-plastic during flowage. Their surface features are similar to those of subaerial block lava. With respect to rheological and morphological features, they are subaqueous equivalents of block lava.

  3. Distance-Based Phylogenetic Methods Around a Polytomy.

    Science.gov (United States)

    Davidson, Ruth; Sullivant, Seth

    2014-01-01

    Distance-based phylogenetic algorithms attempt to solve the NP-hard least-squares phylogeny problem by mapping an arbitrary dissimilarity map representing biological data to a tree metric. The set of all dissimilarity maps is a Euclidean space properly containing the space of all tree metrics as a polyhedral fan. Outputs of distance-based tree reconstruction algorithms such as UPGMA and neighbor-joining are points in the maximal cones in the fan. Tree metrics with polytomies lie at the intersections of maximal cones. A phylogenetic algorithm divides the space of all dissimilarity maps into regions based upon which combinatorial tree is reconstructed by the algorithm. Comparison of phylogenetic methods can be done by comparing the geometry of these regions. We use polyhedral geometry to compare the local nature of the subdivisions induced by least-squares phylogeny, UPGMA, and neighbor-joining when the true tree has a single polytomy with exactly four neighbors. Our results suggest that in some circumstances, UPGMA and neighbor-joining poorly match least-squares phylogeny.

  4. Starch-templated bio-synthesis of gold nanoflowers for in vitro antimicrobial and anticancer activities

    Science.gov (United States)

    Borah, D.; Hazarika, M.; Tailor, P.; Silva, A. R.; Chetia, B.; Singaravelu, G.; Das, P.

    2018-05-01

    We describe an in situ method of synthesizing highly branched gold nanoflower (AuNFs) using aqueous seed extract of Syzygium cumini (L.) Skeels as reductant in the presence of 0.3% starch. Surprisingly, when the same reaction was carried out in the absence of starch or with starch at a lower concentration (0.15%), instead of flower-like morphology quasi-spherical or polyhedral nanoparticles (AuNPs) are obtained. The nanomaterials were extensively characterized by HRTEM, FESEM, UV-Vis, FTIR, XRD, XPS and TGA analysis. The biological activities of the materials were investigated for antimicrobial activities against four bacterial strains that include one Gram positive (Staphylococcus aureus MTCC 121), two Gram negative (Escherichia coli MTCC 40 and Pseudomonas aeruginosa MTCC 4673) and one fungi (Candida albicans MTCC 227). The nanoparticles functioned as effective antimicrobial and anti-biofilm agents against all the strains under study. Controlled study revealed that, the AuNFs showed improved efficacy over conventional polyhedral AuNPs against all the microbes under study which might be attributed to the larger surface-to-volume ratio of the nanoflowers. The AuNFs also showed effective in vitro anticancer activity against a human liver cancer cell line (HepG2) with no significant cytotoxicity. Our data suggest that the AuNFs can significantly reduce the cancer cell growth with IC50 value of 20 µg mL-1.

  5. Mimetic finite difference method

    Science.gov (United States)

    Lipnikov, Konstantin; Manzini, Gianmarco; Shashkov, Mikhail

    2014-01-01

    The mimetic finite difference (MFD) method mimics fundamental properties of mathematical and physical systems including conservation laws, symmetry and positivity of solutions, duality and self-adjointness of differential operators, and exact mathematical identities of the vector and tensor calculus. This article is the first comprehensive review of the 50-year long history of the mimetic methodology and describes in a systematic way the major mimetic ideas and their relevance to academic and real-life problems. The supporting applications include diffusion, electromagnetics, fluid flow, and Lagrangian hydrodynamics problems. The article provides enough details to build various discrete operators on unstructured polygonal and polyhedral meshes and summarizes the major convergence results for the mimetic approximations. Most of these theoretical results, which are presented here as lemmas, propositions and theorems, are either original or an extension of existing results to a more general formulation using polyhedral meshes. Finally, flexibility and extensibility of the mimetic methodology are shown by deriving higher-order approximations, enforcing discrete maximum principles for diffusion problems, and ensuring the numerical stability for saddle-point systems.

  6. Systematic description of the effect of particle shape on the strength properties of granular media

    Directory of Open Access Journals (Sweden)

    Azéma Emilien

    2017-01-01

    Full Text Available In this paper, we explore numerically the effect of particle shape on the mechanical behavior of sheared granular packings. In the framework of the Contact Dynamic (CDMethod, we model angular shape as irregular polyhedral particles, non-convex shape as regular aggregates of four overlapping spheres, elongated shape as rounded cap rectangles and platy shape as square-plates. Binary granular mixture consisting of disks and elongated particles are also considered. For each above situations, the number of face of polyhedral particles, the overlap of spheres, the aspect ratio of elongated and platy particles, are systematically varied from spheres to very angular, non-convex, elongated and platy shapes. The level of homogeneity of binary mixture varies from homogenous packing to fully segregated packings. Our numerical results suggest that the effects of shape parameters are nonlinear and counterintuitive. We show that the shear strength increases as shape deviate from spherical shape. But, for angular shapes it first increases up to a maximum value and then saturates to a constant value as the particles become more angular. For mixture of two shapes, the strength increases with respect of the increase of the proportion of elongated particles, but surprisingly it is independent with the level of homogeneity of the mixture. A detailed analysis of the contact network topology, evidence that various contact types contribute differently to stress transmission at the micro-scale.

  7. Decoration of the Truncated Tetrahedron—An Archimedean Polyhedron—To Produce a New Class of Convex Equilateral Polyhedra with Tetrahedral Symmetry

    Directory of Open Access Journals (Sweden)

    Stan Schein

    2016-08-01

    Full Text Available The Goldberg construction of symmetric cages involves pasting a patch cut out of a regular tiling onto the faces of a Platonic host polyhedron, resulting in a cage with the same symmetry as the host. For example, cutting equilateral triangular patches from a 6.6.6 tiling of hexagons and pasting them onto the full triangular faces of an icosahedron produces icosahedral fullerene cages. Here we show that pasting cutouts from a 6.6.6 tiling onto the full hexagonal and triangular faces of an Archimedean host polyhedron, the truncated tetrahedron, produces two series of tetrahedral (Td fullerene cages. Cages in the first series have 28n2 vertices (n ≥ 1. Cages in the second (leapfrog series have 3 × 28n2. We can transform all of the cages of the first series and the smallest cage of the second series into geometrically convex equilateral polyhedra. With tetrahedral (Td symmetry, these new polyhedra constitute a new class of “convex equilateral polyhedra with polyhedral symmetry”. We also show that none of the other Archimedean polyhedra, six with octahedral symmetry and six with icosahedral, can host full-face cutouts from regular tilings to produce cages with the host’s polyhedral symmetry.

  8. Report on UQ Assessmentsto support SESAME wire-wrappedbundle experiment

    Energy Technology Data Exchange (ETDEWEB)

    Popov, Emilian L. [ORNL; Pointer, William David [ORNL

    2017-10-01

    This work assesses the influence of assumptions made when generating a mesh of a wire-wrappedgeometry. The contact region between a wire and its adjacent pin is commonly modeled by eitherembedding the wire to the adjacent pin or trimming the wire so that a gap separates the wire from itsadjacent pin. These models are referred to as close-gap and open-gap approaches herein and are applied totwo geometries. The first geometry consists of a single pin wire-wrapped subchannel. A polyhedral meshand a hexahedral mesh are generated. The second and third geometry are a 7-pin and a 19-pinwire-wrapped bundles meshed with polyhedral elements only. Pressure drops are obtained with theSTAR-CCM+computational fluid dynamic package. Sensitivity analyses of the mesh density, the meshtype, and the turbulent models are performed. Numerical results show that the best match to theexperimental data and to the Cheng-Todreas correlation is obtained with the combination of a hexahedralmesh, the shear stress transport (SST) turbulent model, and the open-gap approach. In the case of the 7-pingeometry, the best results are obtained with the open-gap approach and the SST turbulent model. The19-pin geometry yields contradictory results to the 7-pin geometry results, and thus will require furtherinvestigations.

  9. An EPR spectrum decomposition study of precipitated carbonated apatites (NCAP) dried at 25 deg C: adsorption of molecules from the atmosphere on the apatite powders

    International Nuclear Information System (INIS)

    Moens, P.D.W.; Callens, F.J.; Verbeeck, R.M.H.; Naessens, D.E.

    1993-01-01

    The effect of storage under ambient conditions on the Electron Paramagnetic Resonance (EPR) spectrum of X-irradiated sodium and carbonate containing synthetic apatites has been studied. A first series of samples was X-irradiated shortly after preparation and drying at 25 o C and investigated by means of EPR. The observed spectra were decomposed in terms of five theoretical curves representing an O - radical, two CO 3 - radicals (surface and bulk) and two CO 2 - radicals (surface and bulk). Afterwards, a second series of the same samples which was stored under ambient conditions for a long period, was also X-irradiated and examined with EPR. The same five radicals were found, but in different relative amounts. It appeared that the relative contributions of the two carbon containing surface radicals increased in comparison with the corresponding bulk radicals. This is explained by an adsorption of molecules from the atmosphere on the surface of the apatite powder. (author)

  10. System and process for the production of syngas and fuel gasses

    Science.gov (United States)

    Bingham, Dennis N; Klingler, Kerry M; Turner, Terry D; Wilding, Bruce M; Benefiel, Bradley C

    2015-04-21

    The production of gasses and, more particularly, to systems and methods for the production of syngas and fuel gasses including the production of hydrogen are set forth. In one embodiment system and method includes a reactor having a molten pool of a material comprising sodium carbonate. A supply of conditioned water is in communication with the reactor. A supply of carbon containing material is also in communication with the reactor. In one particular embodiment, the carbon containing material may include vacuum residuum (VR). The water and VR may be kept at desired temperatures and pressures compatible with the process that is to take place in the reactor. When introduced into the reactor, the water, the VR and the molten pool may be homogenously mixed in an environment in which chemical reactions take place including the production of hydrogen and other gasses.

  11. Sulfur Poisoning of Ni/stabilized-zirconia Anodes – Effect on Long-Term Durability

    DEFF Research Database (Denmark)

    Hauch, Anne; Hagen, Anke; Hjelm, Johan

    2013-01-01

    Sulfur impurities in carbon containing fuels for solid oxide fuel cells (SOFC), e.g. natural gas and biogas, can lead to significant losses in performance due to the sulfur sensitivity of Ni/YSZ SOFC anodes. Full cells having Ni/YSZ and Ni/ScYSZ anodes have been characterized during long-term gal...... to focus on the long-term effect over a few hundred of hours. This work describes and correlates the observed evolution of anode performance, over hundreds of hours, with sulfur poisoning with the different operating conditions.......Sulfur impurities in carbon containing fuels for solid oxide fuel cells (SOFC), e.g. natural gas and biogas, can lead to significant losses in performance due to the sulfur sensitivity of Ni/YSZ SOFC anodes. Full cells having Ni/YSZ and Ni/ScYSZ anodes have been characterized during long...

  12. Characterization of the serine acetyltransferase gene family of Vitis vinifera uncovers differences in regulation of OAS synthesis in woody plants

    OpenAIRE

    Silvia eTavares; Silvia eTavares; Markus eWirtz; Marcel Pascal Beier; Jochen eBogs; Jochen eBogs; Jochen eBogs; Ruediger eHell; Sara eAmâncio

    2015-01-01

    In higher plants cysteine biosynthesis is catalyzed by O-acetylserine(thiol)lyase (OASTL) and represents the last step of the assimilatory sulfate reduction pathway. It is mainly regulated by provision of O-acetylserine (OAS), the nitrogen/carbon containing backbone for fixation of reduced sulfur. OAS is synthesized by Serine acetyltransferase (SERAT), which reversibly interacts with OASTL in the cysteine synthase complex (CSC). In this study we identify and characterize the SERAT protein fam...

  13. Characterization of the serine acetyltransferase gene family of Vitis vinifera uncovers differences in regulation of OAS synthesis in woody plants

    OpenAIRE

    Tavares, Sílvia; Wirtz, Markus; Beier, Marcel P.; Bogs, Jochen; Hell, Rüdiger; Amâncio, Sara

    2015-01-01

    In higher plants cysteine biosynthesis is catalyzed by O-acetylserine(thiol)lyase (OASTL) and represents the last step of the assimilatory sulfate reduction pathway. It is mainly regulated by provision of O-acetylserine (OAS), the nitrogen/carbon containing backbone for fixation of reduced sulfur. OAS is synthesized by Serine acetyltransferase (SERAT), which reversibly interacts with OASTL in the cysteine synthase complex (CSC). In this study we identify and characterize the SERAT gene family...

  14. An Autecological Study on the Vitex agnus-castus L. (Verbenaceae) Distributed in West Anatolia

    OpenAIRE

    DOĞAN, Yunus; MERT, Hasan Hüseyin

    1998-01-01

    This study covers the investigation of the soil-plant relations of Vitex agnus-castus L. (Verbenaceae), a typical element of Mediteranean macchia vegetation. Soils collected from 38 different localitis in West Anatolia were analysed together with the V. agnus-castus plants from the same localities. This plant was observed to generally prefer loamy-textured, neutral and slightly alka-line soils, poor in calcium carbonate, containing varying amounts of organic matter, being rich or very rich...

  15. Destructive distillation

    Energy Technology Data Exchange (ETDEWEB)

    1938-07-05

    A process and apparatus for the destructive distillation at low temperature of mineral or organic material particularly oil shale, is given in which the process comprises distilling the material in a horizontal gaseous stream, subjecting the hot residues to the action of a gaseous stream containing a predetermined amount of oxygen so as to burn, at least partly, the carbon-containing substances, and the process uses the gases from this combustion for the indirect heating of the gases serving for the distillation.

  16. Corrosion-electrochemical behavior of zirconium in molten alkali metal carbonates

    Science.gov (United States)

    Nikitina, E. V.

    2016-08-01

    The corrosion and electrochemical characteristics of zirconium during its interaction with molten lithium, sodium, and potassium carbonates containing from 1 to 5 wt % additives to the salt phase are studied in a temperature range of 500-800°C using gravimetry, corrosion potential measurement, and anodic polarization. The substances decreasing the corrosion losses due to the strengthening and thickening of an oxide film (lithium, sodium, potassium hydroxides) are used as passivators. Sodium chloride, fluoride, and sulfate serve as corrosion stimulators (activators).

  17. Demonstration of the Anaerobic Fluidized Bed Reactor for Pinkwater Treatment at McAlester Army Ammunition Plant

    National Research Council Canada - National Science Library

    Maloney, Stephen W; Heine, Robert L

    2005-01-01

    .... The bacteria are cultivated on granules of activated carbon contained in a fluidized bed. The demonstration equipment controlled the conditions to maintain favorable conditions for anaerobic bacteria through control of temperature, pH, and nutrients. Fuel grade ethanol was used as the substrate to maintain the bacterial population. The results show that this technique can be successful and less costly than the existing granular activated carbon adsorption process.

  18. A New 5-Phase Equation of State for Carbon

    Energy Technology Data Exchange (ETDEWEB)

    Coe, Joshua Damon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Gammel, J. Tinka [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division

    2016-09-06

    We describe the development of SESAME 7835, a new tabular equation of state (EOS) for carbon containing the diamond, bc8, simple cubic, simple hexagonal, and liquid/plasma phases. We compare the EOS against a wide variety of experimental data and simulation results, including static compression, dynamic compression, specific heat, and thermal expansion. To the extent that the reference data agree amongst themselves, the results are satisfactory in all cases.

  19. Apparatus for washing out halogens

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M; Hahn, J; Kroenig, W

    1941-03-26

    An apparatus is described for washing out of halogens and the like or liquid halogen compounds from the products, which are formed on pressure hydrogenation or splitting of carbon-containing material in the presence of halogens or halogen compounds, consisting of a washing apparatus installed between the reaction vessel and the hot separator, which is inclined in relatively small space for steam regulation and contains, with the steam, arranged baffles, especially spirals.

  20. Degradation of Carbon Fiber Reinforced Polymer and Graphite by Laser Heating

    Science.gov (United States)

    2016-08-01

    Education and Training Command In Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy Nicholas C. Herr, BS, MS Captain...ensuring good thermal contact between the sample and its holder (by using sample powders, pellets, or thin films ). The sample temperature is also...carbon nanotube and carbon-containing thin- film manufacturing [82–84] as well as cleaning graphite surfaces in experimental fusion reactors [83

  1. Bioreducer use in blast furnace ironmaking in Finland:techno-economic assessment and CO₂ emission reduction potential

    OpenAIRE

    Suopajärvi, H. (Hannu)

    2015-01-01

    Abstract Most of the steel produced in the world is based on the integrated blast furnace-converter route, which is based on the use of virgin raw materials. Large amounts of fossil-based, carbon containing reductants are used in blast furnaces, which results in carbon dioxide emissions into the atmosphere. Fossil carbon dioxide emissions from steel production can be reduced by new technologies or moving from non-renewable to renewable energy sources. Biomass-based reductants could be one...

  2. ESDに向けての14C測定の利用

    OpenAIRE

    中村, 俊夫; 太田, 友子; 西田, 真砂美; Nakamura, Toshio; Ohta, Tomoko; Nishida, Masami

    2015-01-01

    We have measured 14C concentration of plastic bag samples to confirm that the plastic bags were produced from sustainable carbon, carbon contained in living plants, instead of fossil carbon. Three plastic bags used for normal shopping of food carrier had descriptions on the bag that they were produced from sustainable carbon in some amount. To check the amount of carbon from recent plant remains, we have measured 14C concentrations of the plastic bag samples. The 14C contents were consistent ...

  3. Data on collisions of hydrogen atoms and ions with atoms and molecules, (1)

    International Nuclear Information System (INIS)

    Nakai, Yohta; Kikuchi, Akira; Shirai, Toshizo; Sataka, Masao

    1983-02-01

    This report presents a compilation of the experimental data on cross sections for charge transfer of H, H + and H - with H 2 , N 2 , O 2 , H 2 O, C and carbon containing molecules. A survey has been made systematically of the literature up to the middle of 1982. The cross sections are given as a function of projectile energy in graphs and tables; a list of references is also attached. (author)

  4. Study of the reduction mechanism of ironsands with addition of blast furnace bag dust

    Science.gov (United States)

    Xing, Xiangdong; Chen, Yunfei; Liu, Yiran

    2018-02-01

    To improve the reduction properties of ironsands carbon-containing briquettes, the behavior of ironsand during reduction by the addition of blast furnace bag dust (BFBD) is studied using a high temperature resistance furnace, X-ray diffraction (XRD) analysis and scanning electron microscopy. Additionally, the reduction mechanism is discussed in this study. The results showed that the reduction level and compressive strength of ironsand carbon-containing briquettes could be promoted by increasing the proportion of BFBD. When the addition rate of BFBD was 31.25%, the metallization rate and compressive strength increased from 82.1% and 21.5 N/a to 91.4% and 172.5 N/a, respectively. Metallic iron reduced from BFBD particles favored the carbon gasification reaction, which enhanced the internal CO concentration, and then promoted the FeTiO3 reduction to Fe in ironsand. Meanwhile, a large amount of the liquid phase generated during the reduction process also favored Fe2+ diffusion, spread of iron joined crystals and the growth of crystals, which resulted in the improvement of the compressive strength of the ironsand carbon-containing briquettes.

  5. Galerkin FEM for Fractional Order Parabolic Equations with Initial Data in H − s , 0 ≤ s ≤ 1

    KAUST Repository

    Jin, Bangti; Lazarov, Raytcho; Pasciak, Joseph; Zhou, Zhi

    2013-01-01

    We investigate semi-discrete numerical schemes based on the standard Galerkin and lumped mass Galerkin finite element methods for an initial-boundary value problem for homogeneous fractional diffusion problems with non-smooth initial data. We assume that Ω ⊂ ℝd , d = 1,2,3 is a convex polygonal (polyhedral) domain. We theoretically justify optimal order error estimates in L2- and H1-norms for initial data in H-s (Ω), 0 ≤ s ≤ 1. We confirm our theoretical findings with a number of numerical tests that include initial data v being a Dirac δ-function supported on a (d-1)-dimensional manifold. © 2013 Springer-Verlag.

  6. Blaze-DEMGPU: Modular high performance DEM framework for the GPU architecture

    Directory of Open Access Journals (Sweden)

    Nicolin Govender

    2016-01-01

    Full Text Available Blaze-DEMGPU is a modular GPU based discrete element method (DEM framework that supports polyhedral shaped particles. The high level performance is attributed to the light weight and Single Instruction Multiple Data (SIMD that the GPU architecture offers. Blaze-DEMGPU offers suitable algorithms to conduct DEM simulations on the GPU and these algorithms can be extended and modified. Since a large number of scientific simulations are particle based, many of the algorithms and strategies for GPU implementation present in Blaze-DEMGPU can be applied to other fields. Blaze-DEMGPU will make it easier for new researchers to use high performance GPU computing as well as stimulate wider GPU research efforts by the DEM community.

  7. Three-Dimensional TIN Algorithm for Digital Terrain Modeling%数字地形建模的真三维TIN算法研究

    Institute of Scientific and Technical Information of China (English)

    朱庆; 张叶廷; 李逢春

    2008-01-01

    The problem of taking an unorganized point cloud in 3D space and fitting a polyhedral surface to those points is both important and difficult. Aiming at increasing applications of full three dimensional digital terrain surface modeling, a new algorithm for the automatic generation of three dimensional triangulated irregular network from a point cloud is proposed. Based on the local topological consistency test, a combined algorithm of constrained 3D Delaunay triangulation and region-growing is extended to ensure topologically correct reconstruction. This paper also introduced an efficient neighboring triangle location method by making full use of the surface normal information. Experimental results prove that this algorithm can efficiently obtain the most reasonable reconstructed mesh surface with arbitrary topology, wherein the automatically reconstructed surface has only small topological difference from the true surface. This algorithm has potential applications to virtual environments, computer vision, and so on.

  8. A study on low temperature transformation ferrite in ultra low carbon IF steels (I) - effects of manganese and annealing conditions

    International Nuclear Information System (INIS)

    Jeong, Woo Chang; Lee, Jae Yeon; Jin, Young Sool

    2001-01-01

    An investigation was made to determine the effects of Mn content and annealing conditions on the formation of the low temperature transformation products in ultra low carbon interstitial free steels. With increasing the Mn content, yield and tensile strengths increased, but yield ratio decreased. The Mn was found to be effective to decrease the yield point elongation, causing continuous yielding in 3% Mn steel. Low temperature transformation ferrites such as quasi-polygonal ferrite, granular bainitic ferrite, and bainitic ferrite more easily formed with higher Mn content, higher annealing temperature, longer annealing time, and faster cooling rate. Polygonal ferrite grain was readily identified in the light microscope and was characterized by the polyhedral and equiaxed shape while quasi-polygonal ferrite showed the irregular changeful grain boundaries. It was found that both granular bainitic and bainitic ferrites revealed some etching evidence of substructures in the light microscope

  9. Synthesis and integration of Fe-soc-MOF cubes into colloidosomes via a single-step emulsion-based approach

    KAUST Repository

    Pang, Maolin

    2013-07-17

    Bottom-up fabrication of complex 3D hollow superstructures from nonspherical building blocks (BBs) poses a significant challenge for scientists in materials chemistry and physics. Spherical colloidal silica or polystyrene particles are therefore often integrated as BBs for the preparation of an emerging class of materials, namely colloidosomes (using colloidal particles for Pickering stabilization and fusing them to form a permeable shell). Herein, we describe for the first time a one-step emulsion-based technique that permits the assembly of metal-organic framework (MOF) faceted polyhedral BBs (i.e., cubes instead of spheres) into 3D hollow superstructures (or "colloidosomes" ). The shell of each resultant hollow MOF colloidosome is constructed from a monolayer of cubic BBs, whose dimensions can be precisely controlled by varying the amount of emulsifier used in the synthesis. © 2013 American Chemical Society.

  10. Synthesis of silver nano-materials from Grevillea robusta A Cunn (Silver-oak tree) leaves extract and shape directing role of cetyltrimethylammonium bromide

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Rabia; Faisal, Qamer; Hussain, Sajjad [Department of Chemistry, Jamia Millia Islamia (Central University), New Delhi-110025 (India)

    2016-05-23

    Grevillea robusta (Silver-oak tree) tree is a medicinal tree. Conventional UV-visible spectrophotometric and transmission electron microscopic technique were used to determine the morphology of silver nanoplates (AgNP) using Grevillea robusta (Silver-oak tree) aqueous leaves extract for the first time. The visible spectra showed the presence of three well defined surface plasmon absorption (SPR) bands at 500, 550 and 675 nm which was attributed to the anisotropic growth of Ag-nanoplates. Transmission electron microscopic (TEM) analysis of AgNP showed formation of truncated triangular, polyhedral with some irregular shapes nanoplates in the size range 8-20 nm. Cetyltrimethylammonium bromide (CTAB) has no significant effect on the shape of the spectra, position of SPR bands, size and size distribution of AgNP.

  11. A distributed model predictive control scheme for leader-follower multi-agent systems

    Science.gov (United States)

    Franzè, Giuseppe; Lucia, Walter; Tedesco, Francesco

    2018-02-01

    In this paper, we present a novel receding horizon control scheme for solving the formation problem of leader-follower configurations. The algorithm is based on set-theoretic ideas and is tuned for agents described by linear time-invariant (LTI) systems subject to input and state constraints. The novelty of the proposed framework relies on the capability to jointly use sequences of one-step controllable sets and polyhedral piecewise state-space partitions in order to online apply the 'better' control action in a distributed receding horizon fashion. Moreover, we prove that the design of both robust positively invariant sets and one-step-ahead controllable regions is achieved in a distributed sense. Simulations and numerical comparisons with respect to centralised and local-based strategies are finally performed on a group of mobile robots to demonstrate the effectiveness of the proposed control strategy.

  12. Studii cu privire la soluţii de fundaţii utilizând plăci subţiri conice şi poliedrice

    Directory of Open Access Journals (Sweden)

    Alina Tirtea

    2012-03-01

    Full Text Available Theoretical and experimental studies have been performed in order to determine the possibility of using thin plates as foundation solutions for frame structures. It was studied three types of solutions regarding the realization of isolated footing under columns using two types of thin plates: a Conical plates with the top upward (element E1, respectively the top downward (element E2; b Trunk of pyramid type of polyhedral plates (element E3. These two types of thin plates have been considered for the following reasons: favorable stress distribution in the foundation soil; the stresses that occur within the thin plate are mainly compressive, which leads to a significant reduction of foundation reinforcement; reduced consumption of concrete and reinforcement.

  13. Peripheral dentinogenic ghost cell tumor

    Directory of Open Access Journals (Sweden)

    Sushant S Kamat

    2013-01-01

    Full Text Available Dentinogenic ghost cell tumors (DGCT are uncommon lesions mainly with rare peripheral types. This report presents a case of peripheral DGCT on the left side of the mandibular alveolar ridge of a heavy smoker, a 68-year-old man, with main presenting feature as a mild pain. Submandibular lymphadenopathy and radiological "saucerization" were evident. Differential diagnosis included fibroma, neurofibroma, peripheral ameloblastoma, peripheral odontogenic fibroma, and peripheral giant cell granuloma. Histologically, ameloblastoma-like epithelial elements were seen in association with grouped ghost cells. Proliferating polyhedral cells and stellate reticulum-like cells with various densities were spread over a wide range of the field. The lesion was curetted and after 2 years of follow up, it did not recur.

  14. Synthesis of Aluminium Nanoparticles in A Water/Polyethylene Glycol Mixed Solvent using μ-EDM

    Science.gov (United States)

    Sahu, R. K.; Hiremath, Somashekhar S.

    2017-08-01

    Nanoparticles present a practical way of retaining the results of the property at the atomic or molecular level. Due to the recent use of nanoparticles in scientific, industrial and medical applications, synthesis of nanoparticles and their characterization have become considerably important. Currently, aluminium nanoparticles have attracted significant research attention because of their reasonable cost, unique properties and interdisciplinary emerging applications. The present paper reports the synthesis of aluminium nanoparticles in the mixture of Deionized water (DI water) and Polyethylene Glycol (PEG) using a developed micro-Electrical Discharge Machining (μ-EDM) method. PEG was used as a stabilizer to prevent nanoparticles from agglomeration produced during the μ -EDM process. The synthesized aluminium nanoparticles were examined by Transmission Electron Microscopy (TEM), Energy Dispersive Analysis by X-rays (EDAX) and Selected Area Electron Diffraction (SAED) pattern to determine their size, shape, chemical nature and crystal structure. The average size of the polyhedral aluminium nanoparticles is found to be 196 nm.

  15. Aquaporin-Based Biomimetic Polymeric Membranes: Approaches and Challenges

    DEFF Research Database (Denmark)

    Habel, Joachim Erich Otto; Hansen, Michael; Kynde, Søren

    2015-01-01

    In recent years, aquaporin biomimetic membranes (ABMs) for water separation have gained considerable interest. Although the first ABMs are commercially available, there are still many challenges associated with further ABM development. Here, we discuss the interplay of the main components of ABMs...... thin film interfacial polymerization techniques. Finally, we describe some new developments in interfacial polymerization using polyhedral oligomeric silsesquioxane cages for increasing the physical and chemical durability of thin film composite membranes.......In recent years, aquaporin biomimetic membranes (ABMs) for water separation have gained considerable interest. Although the first ABMs are commercially available, there are still many challenges associated with further ABM development. Here, we discuss the interplay of the main components of ABMs...... for investigating AQP incorporation including freeze-fracture transmission electron microscopy, fluorescence correlation spectroscopy, stopped-flow light scattering, and small-angle X-ray scattering. Third, we focus on recent efforts in embedding reconstituted AQPs in membrane designs that are based on conventional...

  16. Towards a theory of geometric graphs

    CERN Document Server

    Pach, Janos

    2004-01-01

    The early development of graph theory was heavily motivated and influenced by topological and geometric themes, such as the Konigsberg Bridge Problem, Euler's Polyhedral Formula, or Kuratowski's characterization of planar graphs. In 1936, when Denes Konig published his classical Theory of Finite and Infinite Graphs, the first book ever written on the subject, he stressed this connection by adding the subtitle Combinatorial Topology of Systems of Segments. He wanted to emphasize that the subject of his investigations was very concrete: planar figures consisting of points connected by straight-line segments. However, in the second half of the twentieth century, graph theoretical research took an interesting turn. In the most popular and most rapidly growing areas (the theory of random graphs, Ramsey theory, extremal graph theory, algebraic graph theory, etc.), graphs were considered as abstract binary relations rather than geometric objects. Many of the powerful techniques developed in these fields have been su...

  17. Fiscal 1999 research and development of technologies for practical application of photovoltaic power generation systems. Research and development of photovoltaic power generation system evaluation technology (Research and development of system evaluation technology); 1999 nendo taiyoko hatsuden system jitsuyoka gijutsu kaihatsu. Taiyoko hatsuden system hyoka gijutsu no kenkyu kaihatsu (system hyoka gijutsu no kenkyu kaihatsu)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    Research and development is conducted for the acquisition of a system evaluation technique for predicting the performance of standard photovoltaic power systems and evaluation technologies applicable to residential photovoltaic power systems different from each other in terms of tilt and direction, district, solar cell type, etc. In fiscal 1999, using data collected from the Hamamatsu field test facilities and residential photovoltaic power systems installed across Japan, various design parameters, such as the irregularity compensation coefficient, temperature compensation coefficient, and the incidence compensation coefficient were determined, and, using the parameters as the secondary estimation values, design parameters were updated. In the development of simulation technologies, basic studies were made about the shadow compensation coefficient, spectral response fluctuation compensation coefficient, and the composition of polyhedral arrays. Moreover, studies were made about the estimation of large area insolation, based on the horizontal surface insolation data collected at 21 sites of residential photovoltaic power systems in the Kanto district. (NEDO)

  18. New techniques in 3D scalar and vector field visualization

    International Nuclear Information System (INIS)

    Max, N.; Crawfis, R.; Becker, B.

    1993-01-01

    At Lawrence Livermore National Laboratory (LLNL) we have recently developed several techniques for volume visualization of scalar and vector fields, all of which use back-to-front compositing. The first renders volume density clouds by compositing polyhedral volume cells or their faces. The second is a ''splatting'' scheme which composites textures used to reconstruct the scalar or vector fields. One version calculates the necessary texture values in software, and another takes advantage of hardware texture mapping. The next technique renders contour surface polygons using semi-transparent textures, which adjust appropriately when the surfaces deform in a flow, or change topology. The final one renders the ''flow volume'' of smoke or dye tracer swept out by a fluid flowing through a small generating polygon. All of these techniques are applied to a climate model data set, to visualize cloud density and wind velocity

  19. High-pressure optical spectroscopy and X-ray diffraction studies on synthetic cobalt aluminum silicate garnet

    DEFF Research Database (Denmark)

    N. Taran, Michail; Nestola, Fabrizio; Ohashi, Haruo

    2007-01-01

    The pressure-induced behavior of spin-allowed dd-bands of VIIICo2+ in the absorption spectra of synthetic Co3Al2Si3O12 garnet was studied from 10-4 to 13 GPa. The plots of the peak energy vs. pressure for the three sharpest well resolved bands at ca. 5160, 17 680, and 18 740 cm-1 display small...... but discernible breaks in linear relations between 4 and 5 GPa. Datafromsingle-crystalX-raydiffractionData from single-crystal X-ray diffraction likewise show discontinuities in trends of CoO8 polyhedral volume and distortion, and Co-O and Si-O bond distances over this pressure range. These effects are related...... to a pressure-induced phase transition from the ß- to a-isostructural polymorph of Co3Al2Si3O12....

  20. A comparison of interatomic potentials for modeling tungsten nanocluster structures

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Jiannan; Shu, Xiaolin, E-mail: shuxlin@buaa.edu.cn; Jin, Shuo; Zhang, Xuesong; Zhang, Ying; Lu, Guang-Hong

    2017-02-15

    Molecular dynamic simulation is utilized to study the nanocluster and the fuzz structure on the PFM surface of tungsten. The polyhedral and linear cluster structures based on the icosahedron, cuboctahedron and rhombic dodecahedron are built up. Three interatomic potentials are used in calculating the relationship between the cluster energy and the number of atoms. The results are compared with first-principles calculation to show each potential’s best application scale. Furthermore, the transition between the icosahedral and the cuboctahedral clusters is observed in molecular dynamic simulation at different temperatures, which follows a critical curve for different numbers of atoms. The linear structures are proved to be stable at experimental temperatures by thermodynamics. The work presents a selection of interatomic potentials in simulating tungsten cluster systems and helps researchers understand the growth and evolution laws of clusters and the fuzz-like structure formation process in fusion devices.

  1. An improved method to identify grain boundary creep cavitation in 316H austenitic stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Chen, B., E-mail: b.chen@bristol.ac.uk [Department of Mechanical Engineering, University of Bristol, Bristol BS8 1TR (United Kingdom); Flewitt, P.E.J. [Interface Analysis Centre, University of Bristol, 121 St. Michael' s Hill, Bristol BS2 8BS (United Kingdom); H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Smith, D.J. [Department of Mechanical Engineering, University of Bristol, Bristol BS8 1TR (United Kingdom); Jones, C.P. [Interface Analysis Centre, University of Bristol, 121 St. Michael' s Hill, Bristol BS2 8BS (United Kingdom)

    2011-04-15

    Inter-granular creep cavitation damage has been observed in an ex-service 316H austenitic stainless steel thick section weldment. Focused ion beam cross-section milling combined with ion channelling contrast imaging is used to identify the cavitation damage, which is usually associated with the grain boundary carbide precipitates in this material. The results demonstrate that this technique can identify, in particular, the early stage of grain boundary creep cavitation unambiguously in materials with complex phase constituents. -- Research highlights: {yields} FIB milling plus ion channelling contrast optimise the observation of cavity. {yields} Identification of the creep cavities unambiguously, using an FIB technique. {yields} The FIB technique can retain the polyhedral shape of cavity. {yields} Various stages of creep cavitation can be observed, using the FIB technique.

  2. Direct fabrication of gas diffusion cathode by pulse electrodeposition for proton exchange membrane water electrolysis

    Science.gov (United States)

    Park, Hyanjoo; Choe, Seunghoe; Kim, Hoyoung; Kim, Dong-Kwon; Cho, GeonHee; Park, YoonSu; Jang, Jong Hyun; Ha, Don-Hyung; Ahn, Sang Hyun; Kim, Soo-Kil

    2018-06-01

    Pt catalysts for water electrolysis were prepared on carbon paper by using both direct current and pulse electrodeposition. Controlling the mass transfer of Pt precursor in the electrolyte by varying the deposition potential enables the formation of various Pt particle shapes such as flower-like and polyhedral particles. Further control of the deposition parameters for pulse electrodeposition resulted in changes to the particle size and density. In particular, the upper potential of pulse was found to be the critical parameter controlling the morphology of the particles and their catalytic activity. In addition to the typical electrochemical measurements, Pt samples deposited on carbon paper were used as cathodes for a proton exchange membrane water electrolyser. This single cell test revealed that our Pt particle samples have exceptional mass activity while being cost effective.

  3. Atypical feline sporotrichosis resembling vaccine-induced sarcoma: clinical and histopathological aspects.

    Science.gov (United States)

    dos Santos, Isabele Barbieri; Quintella, Leonardo Pereira; de Miranda, Luisa Helena Monteiro; de Sousa Trotte, Marcele Nogueira; Schubach, Tânia Maria Pacheco; Tortelly, Rogerio

    2013-06-01

    A 7-year-old Siamese cat presenting with three ulcerated cutaneous nodules in the lumbosacral region was seen at the Laboratory for Clinical Research on Dermatozoonoses in Domestic Animals in Rio de Janeiro, Brazil. Histopathological analysis showed that the lesions consisted of polyhedral and spindle-shaped voluminous mononuclear cells with loose chromatin and clearly visible nucleoli, few giant cells, and foci of coagulative and caseous necrosis -- findings suggestive of a vaccine-induced sarcoma. No significant mitotic rate, cytological atypias or asteroid bodies were observed. Special histopathological staining with periodic acid-Schiff and Grocott's silver stain demonstrated the presence of small yeast cells characterized by simple and narrow-base budding compatible with Sporothrix schenckii. Mycological culture grew S schenckii. Cytopathology was negative for yeast cells. These atypical clinical and histopathological signs support the importance of histopathological analysis with special staining techniques, in addition to mycological culture in the diagnosis of feline sporotrichosis.

  4. a Continuous-Time Positive Linear System

    Directory of Open Access Journals (Sweden)

    Kyungsup Kim

    2013-01-01

    Full Text Available This paper discusses a computational method to construct positive realizations with sparse matrices for continuous-time positive linear systems with multiple complex poles. To construct a positive realization of a continuous-time system, we use a Markov sequence similar to the impulse response sequence that is used in the discrete-time case. The existence of the proposed positive realization can be analyzed with the concept of a polyhedral convex cone. We provide a constructive algorithm to compute positive realizations with sparse matrices of some positive systems under certain conditions. A sufficient condition for the existence of a positive realization, under which the proposed constructive algorithm works well, is analyzed.

  5. Synthesis of silver nano-materials from Grevillea robusta A Cunn (Silver-oak tree) leaves extract and shape directing role of cetyltrimethylammonium bromide

    International Nuclear Information System (INIS)

    Ahmad, Rabia; Faisal, Qamer; Hussain, Sajjad

    2016-01-01

    Grevillea robusta (Silver-oak tree) tree is a medicinal tree. Conventional UV-visible spectrophotometric and transmission electron microscopic technique were used to determine the morphology of silver nanoplates (AgNP) using Grevillea robusta (Silver-oak tree) aqueous leaves extract for the first time. The visible spectra showed the presence of three well defined surface plasmon absorption (SPR) bands at 500, 550 and 675 nm which was attributed to the anisotropic growth of Ag-nanoplates. Transmission electron microscopic (TEM) analysis of AgNP showed formation of truncated triangular, polyhedral with some irregular shapes nanoplates in the size range 8-20 nm. Cetyltrimethylammonium bromide (CTAB) has no significant effect on the shape of the spectra, position of SPR bands, size and size distribution of AgNP.

  6. TEM Characterization of Helium Bubbles in T91 and MNHS Steels Implanted with 200 keV He Ions at Different Temperatures

    International Nuclear Information System (INIS)

    Wang Ji; Gao Xing; Wang Zhi-Guang; Wei Kong-Fang; Yao Cun-Feng; Cui Ming-Huan; Sun Jian-Rong; Li Bing-Sheng; Pang Li-Long; Zhu Ya-Bin; Luo Peng; Chang Hai-Long; Zhang Hong-Peng; Zhu Hui-Ping; Wang Dong; Du Yang-Yang; Xie Er-Qing

    2015-01-01

    Modified novel high silicon steel (MNHS, a newly developed reduced-activation martensitic alloy) and commercial alloy T91 are implanted with 200 keV He"2"+ ions to a dose of 5 × 10"2"0 ions/m"2 at 300, 450 and 550°C. Transmission electron microscopy (TEM) is used to characterize the size and morphology of He bubbles. With the increase of the implantation temperature, TEM observations indicate that bubbles increase in size and the proportion of ‘brick shaped’ cuboid bubbles increases while the proportion of polyhedral bubbles decreases in both the steel samples. For the samples implanted at the same temperature, the average size of He bubbles in MNHS is smaller than that in T91. This might be due to the abundance of boundaries and precipitates in MNHS, which provide additional sites for the trapping of He atoms, thus reduce the susceptibility of MNHS to He embrittlement. (paper)

  7. Error analysis of semidiscrete finite element methods for inhomogeneous time-fractional diffusion

    KAUST Repository

    Jin, B.; Lazarov, R.; Pasciak, J.; Zhou, Z.

    2014-01-01

    © 2014 Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved. We consider the initial-boundary value problem for an inhomogeneous time-fractional diffusion equation with a homogeneous Dirichlet boundary condition, a vanishing initial data and a nonsmooth right-hand side in a bounded convex polyhedral domain. We analyse two semidiscrete schemes based on the standard Galerkin and lumped mass finite element methods. Almost optimal error estimates are obtained for right-hand side data f (x, t) ε L∞ (0, T; Hq(ω)), ≤1≥ 1, for both semidiscrete schemes. For the lumped mass method, the optimal L2(ω)-norm error estimate requires symmetric meshes. Finally, twodimensional numerical experiments are presented to verify our theoretical results.

  8. Design of self-supporting surfaces

    KAUST Repository

    Vouga, Etienne

    2012-07-01

    Self-supporting masonry is one of the most ancient and elegant techniques for building curved shapes. Because of the very geometric nature of their failure, analyzing and modeling such strutures is more a geometry processing problem than one of classical continuum mechanics. This paper uses the thrust network method of analysis and presents an iterative nonlinear optimization algorithm for efficiently approximating freeform shapes by self-supporting ones. The rich geometry of thrust networks leads us to close connections between diverse topics in discrete differential geometry, such as a finite-element discretization of the Airy stress potential, perfect graph Laplacians, and computing admissible loads via curvatures of polyhedral surfaces. This geometric viewpoint allows us, in particular, to remesh self-supporting shapes by self-supporting quad meshes with planar faces, and leads to another application of the theory: steel/glass constructions with low moments in nodes. © 2012 ACM 0730-0301/2012/08-ART87.

  9. First-principle calculations on the structural and electronic properties of hard C11N4

    International Nuclear Information System (INIS)

    Li, Dongxu; Shi, Jiancheng; Lai, Mengling; Li, Rongkai; Yu, Dongli

    2014-01-01

    A graphite-like C 11 N 4 model was built by stacking graphene and a C 3 N 4 triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C 11 N 4 is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C 11 N 4 was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C 11 N 4 is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy

  10. First-principle calculations on the structural and electronic properties of hard C{sub 11}N{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dongxu, E-mail: lidongxu@hqu.edu.cn [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Shi, Jiancheng; Lai, Mengling; Li, Rongkai [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Yu, Dongli [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2014-09-15

    A graphite-like C{sub 11}N{sub 4} model was built by stacking graphene and a C{sub 3}N{sub 4} triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C{sub 11}N{sub 4} is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C{sub 11}N{sub 4} was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C{sub 11}N{sub 4} is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy.

  11. Tunable plasmonic lattices of silver nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Andrea; Sinsermsuksakul, Prasert; Yang, Peidong

    2008-02-18

    Silver nanocrystals are ideal building blocks for plasmonicmaterials that exhibit a wide range of unique and potentially usefuloptical phenomena. Individual nanocrystals display distinct opticalscattering spectra and can be assembled into hierarchical structures thatcouple strongly to external electromagnetic fields. This coupling, whichis mediated by surface plasmons, depends on their shape and arrangement.Here we demonstrate the bottom-up assembly of polyhedral silvernanocrystals into macroscopic two-dimensional superlattices using theLangmuir-Blodgett technique. Our ability to control interparticlespacing, density, and packing symmetry allows for tunability of theoptical response over the entire visible range. This assembly strategyoffers a new, practical approach to making novel plasmonic materials forapplication in spectroscopic sensors, sub-wavelength optics, andintegrated devices that utilize field enhancement effects.

  12. Thermal processing of diblock copolymer melts mimics metallurgy

    Science.gov (United States)

    Kim, Kyungtae; Schulze, Morgan W.; Arora, Akash; Lewis, Ronald M.; Hillmyer, Marc A.; Dorfman, Kevin D.; Bates, Frank S.

    2017-05-01

    Small-angle x-ray scattering experiments conducted with compositionally asymmetric low molar mass poly(isoprene)-b-poly(lactide) diblock copolymers reveal an extraordinary thermal history dependence. The development of distinct periodic crystalline or aperiodic quasicrystalline states depends on how specimens are cooled from the disordered state to temperatures below the order-disorder transition temperature. Whereas direct cooling leads to the formation of documented morphologies, rapidly quenched samples that are then heated from low temperature form the hexagonal C14 and cubic C15 Laves phases commonly found in metal alloys. Self-consistent mean-field theory calculations show that these, and other associated Frank-Kasper phases, have nearly degenerate free energies, suggesting that processing history drives the material into long-lived metastable states defined by self-assembled particles with discrete populations of volumes and polyhedral shapes.

  13. Reciprocal polyhedra and the Euler relationship: cage hydrocarbons, CnHn and closo-boranes [BxHx]2−

    Directory of Open Access Journals (Sweden)

    Henning Hopf

    2011-02-01

    Full Text Available The closo-boranes BxHx+2, or their corresponding anions [BxHx]2− (where x = 5 through 12 and polycycloalkanes CnHn (where n represents even numbers from 6 through 20 exhibit a complementary relationship whereby the structures of the corresponding molecules, e.g., [B6H6]2− and C8H8 (cubane, are based on reciprocal polyhedra. The vertices in the closo-boranes correspond to faces in its polycyclic hydrocarbon counterpart and vice versa. The different bonding patterns in the two series are described. Several of these hydrocarbons (cubane, pentagonal dodecahedrane and the trigonal and pentagonal prismanes are known while others still remain elusive. Synthetic routes to the currently known CnHn highly symmetrical polyhedral species are briefly summarized and potential routes to those currently unknown are discussed. Finally, the syntheses of the heavier element analogues of cubane and the prismanes are described.

  14. Synthesis of POSS-based ionic conductors with low glass transition temperatures for efficient solid-state dye-sensitized solar cells.

    Science.gov (United States)

    Zhang, Wei; Wang, Zhong-Sheng

    2014-07-09

    Replacing liquid-state electrolytes with solid-state electrolytes has been proven to be an effective way to improve the durability of dye-sensitized solar cells (DSSCs). We report herein the synthesis of amorphous ionic conductors based on polyhedral oligomeric silsesquioxane (POSS) with low glass transition temperatures for solid-state DSSCs. As the ionic conductor is amorphous and in the elastomeric state at the operating temperature of DSSCs, good pore filling in the TiO2 film and good interfacial contact between the solid-state electrolyte and the TiO2 film can be guaranteed. When the POSS-based ionic conductor containing an allyl group is doped with only iodine as the solid-state electrolyte without any other additives, power conversion efficiency of 6.29% has been achieved with good long-term stability under one-sun soaking for 1000 h.

  15. Encyclopedia of distances

    CERN Document Server

    Deza, Michel Marie

    2014-01-01

    This updated and revised third edition of the leading reference volume on distance metrics includes new items from very active research areas in the use of distances and metrics such as geometry, graph theory, probability theory and analysis. Among the new topics included are, for example, polyhedral metric space, nearness matrix problems, distances between belief assignments, distance-related animal settings, diamond-cutting distances, natural units of length, Heidegger’s de-severance distance, and brain distances. The publication of this volume coincides with intensifying research efforts into metric spaces and especially distance design for applications. Accurate metrics have become a crucial goal in computational biology, image analysis, speech recognition and information retrieval. Leaving aside the practical questions that arise during the selection of a ‘good’ distance function, this work focuses on providing the research community with an invaluable comprehensive listing of the main available di...

  16. Predicting the Oxygen-Binding Properties of Platinum Nanoparticle Ensembles by Combining High-Precision Electron Microscopy and Density Functional Theory.

    Science.gov (United States)

    Aarons, Jolyon; Jones, Lewys; Varambhia, Aakash; MacArthur, Katherine E; Ozkaya, Dogan; Sarwar, Misbah; Skylaris, Chris-Kriton; Nellist, Peter D

    2017-07-12

    Many studies of heterogeneous catalysis, both experimental and computational, make use of idealized structures such as extended surfaces or regular polyhedral nanoparticles. This simplification neglects the morphological diversity in real commercial oxygen reduction reaction (ORR) catalysts used in fuel-cell cathodes. Here we introduce an approach that combines 3D nanoparticle structures obtained from high-throughput high-precision electron microscopy with density functional theory. Discrepancies between experimental observations and cuboctahedral/truncated-octahedral particles are revealed and discussed using a range of widely used descriptors, such as electron-density, d-band centers, and generalized coordination numbers. We use this new approach to determine the optimum particle size for which both detrimental surface roughness and particle shape effects are minimized.

  17. Quantum triangulations moduli space, quantum computing, non-linear sigma models and Ricci flow

    CERN Document Server

    Carfora, Mauro

    2017-01-01

    This book discusses key conceptual aspects and explores the connection between triangulated manifolds and quantum physics, using a set of case studies ranging from moduli space theory to quantum computing to provide an accessible introduction to this topic. Research on polyhedral manifolds often reveals unexpected connections between very distinct aspects of mathematics and physics. In particular, triangulated manifolds play an important role in settings such as Riemann moduli space theory, strings and quantum gravity, topological quantum field theory, condensed matter physics, critical phenomena and complex systems. Not only do they provide a natural discrete analogue to the smooth manifolds on which physical theories are typically formulated, but their appearance is also often a consequence of an underlying structure that naturally calls into play non-trivial aspects of representation theory, complex analysis and topology in a way that makes the basic geometric structures of the physical interactions involv...

  18. Lectures on discrete geometry

    CERN Document Server

    2002-01-01

    Discrete geometry investigates combinatorial properties of configurations of geometric objects. To a working mathematician or computer scientist, it offers sophisticated results and techniques of great diversity and it is a foundation for fields such as computational geometry or combinatorial optimization. This book is primarily a textbook introduction to various areas of discrete geometry. In each area, it explains several key results and methods, in an accessible and concrete manner. It also contains more advanced material in separate sections and thus it can serve as a collection of surveys in several narrower subfields. The main topics include: basics on convex sets, convex polytopes, and hyperplane arrangements; combinatorial complexity of geometric configurations; intersection patterns and transversals of convex sets; geometric Ramsey-type results; polyhedral combinatorics and high-dimensional convexity; and lastly, embeddings of finite metric spaces into normed spaces. Jiri Matousek is Professor of Com...

  19. Bilateral Malignant Seminomas in Two Unrelated, Aged Trumpeter Hornbills (Bycanistes buccinator).

    Science.gov (United States)

    Wernick, Morena B; Tobias, Jeremy R; Moeller, Robert B; Barnes, John; Palmieri, Chiara; Shivaprasad, H L

    2015-06-01

    Seminomas occur infrequently in birds. Two cases of bilateral malignant seminomas in unrelated trumpeter hornbills (Bycanistes buccinator) are described. Case 1 was a 22-year-old trumpeter hornbill submitted for necropsy because of sudden death at a zoo in California. Postmortem examination revealed multiple masses within the body cavity, 2 of which replaced both testes. Case 2 was a 19-year-old trumpeter hornbill at a zoo in North Carolina that underwent exploratory surgery for a suspected gastrointestinal obstruction. Both testes were diffusely enlarged, compressing and replacing the adjacent kidneys. In both birds, the masses were composed of discrete, round to polyhedral cells, typical of seminomas. Examination of the ancestry of the hornbills showed they were unrelated to each other, suggesting a potential predisposition for these birds to develop seminomas.

  20. Anhydrous proton conducting composite membranes containing Nafion and triazole modified POSS

    International Nuclear Information System (INIS)

    Lei, M.; Wang, Y.G.; Zhang, F.F.; Huang, C.; Xu, X.; Zhang, R.; Fan, D.Y.

    2014-01-01

    Development of membrane electrolytes having reasonable proton conductivity and mechanical strength under anhydrous conditions is of great importance for proton exchange membrane fuel cells operated at elevated temperature. With the introduction of triazole modified polyhedral oligomeric silsesquioxanes (Tz-POSS) into Nafion membrane, the formed composite electrolytes exhibit improved mechanical properties compared to pristine Nafion membrane due to the well distribution of Tz-POSS inside the membrane. The anhydrous proton conductivity of the formed composite membranes increases initially with the increase in temperature, reaching about 0.02 Scm −1 at 140 °C. With further increase in temperature to about 150 °C, the composite membrane reaches its glass transition point above which the proton conductivity decreases dramatically. The performance of assembled single cell from composite membrane is slightly dependent on humidification conditions at 95 °C, reaching 0.45 V at 600 mAcm −2 using hydrogen and oxygen as reaction gases