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Sample records for crystal packing features

  1. Specific features of the crystal packing that enable styryl dyes of the pyridine series to undergo the solid-phase [2 + 2] photocycloaddition including the process with single crystal retention

    International Nuclear Information System (INIS)

    Kuz'mina, L. G.; Vedernikov, A. I.; Sazonov, S. K.; Lobova, N. A.; Loginov, P. S.; Howard, J. A. K.; Alfimov, M. V.; Gromov, S. P.

    2008-01-01

    The crystal packing of a number of styryl dyes of the pyridine series is analyzed. The structures of three dyes and three [2 + 2] photocycloaddition (PCA) products, 1,2,3,4-tetrasubstituted cyclobutanes, obtained in single crystals are determined by X-ray diffraction. Stacks of planar organic cations are characteristic of styryl dye packings. The proceeding of the PCA reaction as a single crystal-to-single crystal transformation in the syn head-to-head stacks is in principle impossible. The syn head-to-tail stacking packings are favorable for the PCA reactions resulting in the centrosymmetric rctt isomers of cyclobutane. The stacking packings, in which molecules are related by the twofold axes (the anti arrangement of molecules), are also favorable for PCA in single crystals. In this case, the products are the rtct isomers of cyclobutane. The presence of the I - counterions in a packing is a factor impeding the PCA reaction, because the secondary I-H-C bonds increase the rigidity of the crystal lattice. The conditions necessary for proceeding the PCA reactions in styryl dyes as single crystal-to-single crystal processes are as follows: (1) the stacks split into pairs of organic cations (dimers) with the d distances within 4.2 A in a dimer and d exceeding 4.2 A between the dimers; and (2) the dimers are surrounded by flexible shells consisting of anions, solvate molecules, or flexible moieties of the organic cations themselves.

  2. Discrimination between biological interfaces and crystal-packing contacts

    Directory of Open Access Journals (Sweden)

    Yuko Tsuchiya

    2008-11-01

    Full Text Available Yuko Tsuchiya1, Haruki Nakamura2, Kengo Kinoshita1,31Institute of Medical Science, The University of Tokyo, 4-6-1 Shirokanedai, Minatoku, Tokyo, 108-8639, Japan; 2Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan; 3Bioinformatics Research and Development, JST, 4-1-8 Honcho, Kawaguchi, Saitama, 332-0012, JapanAbstract: A discrimination method between biologically relevant interfaces and artificial crystal-packing contacts in crystal structures was constructed. The method evaluates protein-protein interfaces in terms of complementarities for hydrophobicity, electrostatic potential and shape on the protein surfaces, and chooses the most probable biological interfaces among all possible contacts in the crystal. The method uses a discriminator named as “COMP”, which is a linear combination of the complementarities for the above three surface features and does not correlate with the contact area. The discrimination of homo-dimer interfaces from symmetry-related crystal-packing contacts based on the COMP value achieved the modest success rate. Subsequent detailed review of the discrimination results raised the success rate to about 88.8%. In addition, our discrimination method yielded some clues for understanding the interaction patterns in several examples in the PDB. Thus, the COMP discriminator can also be used as an indicator of the “biological-ness” of protein-protein interfaces.Keywords: protein-protein interaction, complementarity analysis, homo-dimer interface, crystal-packing contact, biological interfaces

  3. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2017-03-01

    Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between

  4. Ultratight crystal packing of a 10 kDa protein

    Energy Technology Data Exchange (ETDEWEB)

    Trillo-Muyo, Sergio [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain); Jasilionis, Andrius [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Domagalski, Marcin J. [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Chruszcz, Maksymilian [University of South Carolina, 631 Sumter Street, Columbia, SC 29208 (United States); Minor, Wladek [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Kuisiene, Nomeda [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Arolas, Joan L.; Solà, Maria; Gomis-Rüth, F. Xavier, E-mail: xgrcri@ibmb.csic.es [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain)

    2013-03-01

    The crystal structure of the C-terminal domain of a putative U32 peptidase from G. thermoleovorans is reported; it is one of the most tightly packed protein structures reported to date. While small organic molecules generally crystallize forming tightly packed lattices with little solvent content, proteins form air-sensitive high-solvent-content crystals. Here, the crystallization and full structure analysis of a novel recombinant 10 kDa protein corresponding to the C-terminal domain of a putative U32 peptidase are reported. The orthorhombic crystal contained only 24.5% solvent and is therefore among the most tightly packed protein lattices ever reported.

  5. Critical-like features of stress response in frictional packings

    International Nuclear Information System (INIS)

    Cakir, Abdullah; Silbert, Leonardo E

    2015-01-01

    The mechanical response of static, unconfined, overcompressed face centred cubic, granular arrays is studied using large-scale, discrete element method simulations. Specifically, the stress response due to the application of a localised force perturbation—the Green function technique—is obtained in granular packings generated over several orders of magnitude in both the particle friction coefficient and the applied forcing. We observe crossover behaviour in the mechanical state of the system characterised by the changing nature of the resulting stress response. The transition between anisotropic and isotropic stress response exhibits critical-like features through the identification of a diverging length scale that distinguishes the spatial extent of anisotropic regions from those that display isotropic behaviour. A multidimensional phase diagram is constructed that parameterises the response of the system due to changing friction and force perturbations. (paper)

  6. Temperature-mediated polymorphism in molecular crystals: The impact on crystal packing and charge transport

    KAUST Repository

    Stevens, Loah A.; Goetz, Katelyn P.; Fonari, Alexandr; Shu, Ying; Williamson, Rachel M.; Bredas, Jean-Luc; Coropceanu, Veaceslav P.; Jurchescu, Oana D.; Collis, Gavin E.

    2015-01-01

    We report a novel synthesis to ultra high purity 7,14-bis((trimethylsilyl)ethynyl)dibenzo[b,def]-chrysene (TMS-DBC) and the use of this material in the growth of single crystals by solution and vapor deposition techniques. We observe that the substrate temperature has a dramatic impact on the crystal growth, producing two distinct polymorphs of TMS-DBC; low temperature (LT) fine red needles and high temperature (HT) large yellow platelets. Single crystal X-ray crystallography confirms packing structures where the LT crystals form a 1D slipped-stack structure, while the HT crystals adopt a 2D brickwork motif. These polymorphs also represent a rare example where both are extremely stable and do not interconvert to the other crystal structure upon solvent or thermal annealing. Single crystal organic field-effect transistors of the LT and HT crystals show that the HT 2D brickwork motif produces hole mobilities as high as 2.1 cm2 V-1 s-1, while the mobility of the 1D structure is significantly lower, at 0.028 cm2 V-1 s-1. Electronic-structure calculations indicate that the superior charge transport in the brickwork polymorph in comparison to the slipped-stack polymorph is due to the presence of an increased dimensionality of the charge migration pathways.

  7. Temperature-mediated polymorphism in molecular crystals: The impact on crystal packing and charge transport

    KAUST Repository

    Stevens, Loah A.

    2015-01-13

    We report a novel synthesis to ultra high purity 7,14-bis((trimethylsilyl)ethynyl)dibenzo[b,def]-chrysene (TMS-DBC) and the use of this material in the growth of single crystals by solution and vapor deposition techniques. We observe that the substrate temperature has a dramatic impact on the crystal growth, producing two distinct polymorphs of TMS-DBC; low temperature (LT) fine red needles and high temperature (HT) large yellow platelets. Single crystal X-ray crystallography confirms packing structures where the LT crystals form a 1D slipped-stack structure, while the HT crystals adopt a 2D brickwork motif. These polymorphs also represent a rare example where both are extremely stable and do not interconvert to the other crystal structure upon solvent or thermal annealing. Single crystal organic field-effect transistors of the LT and HT crystals show that the HT 2D brickwork motif produces hole mobilities as high as 2.1 cm2 V-1 s-1, while the mobility of the 1D structure is significantly lower, at 0.028 cm2 V-1 s-1. Electronic-structure calculations indicate that the superior charge transport in the brickwork polymorph in comparison to the slipped-stack polymorph is due to the presence of an increased dimensionality of the charge migration pathways.

  8. Can Crystal Symmetry and Packing Influence the Active Site Conformation of Homohexameric Purine Nucleoside Phosphorylases?

    Directory of Open Access Journals (Sweden)

    Marija Luić

    2016-06-01

    Full Text Available It is generaly believed that enzymes retain most of their functionality in the crystal form due to the large solvent content of protein crystals. This is facilitated by the fact that their natural environment in solution is not too far from the one found in the crystal form. Nevertheless, if the nature of the enzyme is such to require conformational changes, overcoming of the crystal packing constraints may prove to be too difficult. Such conformational change is present in one class of enzymes (purine nucleoside phosphorylases, that is the subject of our scientific interest for many years. The influence of crystal symmetry and crystal packing on the conformation of the active sites in the case of homohexameric purine nucleoside phosphorylases is presented and analysed. This work is licensed under a Creative Commons Attribution 4.0 International License.

  9. Solution Coating of Superior Large-Area Flexible Perovskite Thin Films with Controlled Crystal Packing

    KAUST Repository

    Li, Jianbo

    2017-05-08

    Solution coating of organohalide lead perovskites offers great potential for achieving low-cost manufacturing of large-area flexible optoelectronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of crystal packing. Herein, this study reports using solution shearing to confine crystal nucleation and growth in large-area printed MAPbI3 thin films. Near single-crystalline perovskite microarrays are demonstrated with a high degree of controlled macroscopic alignment and crystal orientation, which exhibit significant improvements in optical and optoelectronic properties comparing with their random counterparts, spherulitic, and nanograined films. In particular, photodetectors based on the confined films showing intense anisotropy in charge transport are fabricated, and the device exhibits significantly improved performance in all aspects by one more orders of magnitude relative to their random counterparts. It is anticipated that perovskite films with controlled crystal packing may find applications in high-performance, large-area printed optoelectronics, and solar cells.

  10. Solution Coating of Superior Large-Area Flexible Perovskite Thin Films with Controlled Crystal Packing

    KAUST Repository

    Li, Jianbo; Liu, Yucheng; Ren, Xiaodong; Yang, Zhou; Li, Ruipeng; Su, Hang; Yang, Xiaoming; Xu, Junzhuo; Xu, Hua; Hu, Jian-Yong; Amassian, Aram; Zhao, Kui; Liu, Shengzhong Frank

    2017-01-01

    Solution coating of organohalide lead perovskites offers great potential for achieving low-cost manufacturing of large-area flexible optoelectronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of crystal packing. Herein, this study reports using solution shearing to confine crystal nucleation and growth in large-area printed MAPbI3 thin films. Near single-crystalline perovskite microarrays are demonstrated with a high degree of controlled macroscopic alignment and crystal orientation, which exhibit significant improvements in optical and optoelectronic properties comparing with their random counterparts, spherulitic, and nanograined films. In particular, photodetectors based on the confined films showing intense anisotropy in charge transport are fabricated, and the device exhibits significantly improved performance in all aspects by one more orders of magnitude relative to their random counterparts. It is anticipated that perovskite films with controlled crystal packing may find applications in high-performance, large-area printed optoelectronics, and solar cells.

  11. CrystalCMP: an easy-to-use tool for fast comparison of molecular packing

    Czech Academy of Sciences Publication Activity Database

    Rohlíček, Jan; Skořepová, E.; Babor, M.; Čejka, J.

    2016-01-01

    Roč. 49, č. 6 (2016), s. 2172-2183 ISSN 0021-8898 R&D Projects: GA ČR GA16-10035S Institutional support: RVO:68378271 Keywords : comparison * similarity packing * crystal structure * computer programs Subject RIV: JC - Computer Hardware ; Software Impact factor: 3.720, year: 2014

  12. Face Centered Cubic and Hexagonal Close Packed Skyrmion Crystals in Centrosymmetric Magnets

    Science.gov (United States)

    Lin, Shi-Zeng; Batista, Cristian D.

    2018-02-01

    Skyrmions are disklike objects that typically form triangular crystals in two-dimensional systems. This situation is analogous to the so-called pancake vortices of quasi-two-dimensional superconductors. The way in which Skyrmion disks or "pancake Skyrmions" pile up in layered centrosymmetric materials is dictated by the interlayer exchange. Unbiased Monte Carlo simulations and simple stabilization arguments reveal face centered cubic and hexagonal close packed Skyrmion crystals for different choices of the interlayer exchange, in addition to the conventional triangular crystal of Skyrmion lines. Moreover, an inhomogeneous current induces a sliding motion of pancake Skyrmions, indicating that they behave as effective mesoscale particles.

  13. Crystallization features of ternary reversible reciprocal systems

    International Nuclear Information System (INIS)

    Tomashik, V.N.; Shcherbak, L.P.; Fejchuk, P.I.; Grytsiv, V.I.

    2006-01-01

    Some features of the primary crystallization of phases in ternary reversible reciprocal system are considered and discussed. The diagonal join CdTe-GeSe of the CdTe + GeSe = CdSe + GeTe ternary reciprocal system is studied to show that the features in primary and secondary heating and cooling curves in such systems under fully equilibrium conditions are not reproduced upon consecutive heating and cooling sessions, because of the existence of different amounts of the reagents and the reaction products in the mixture; the temperatures of each transformation lie in a range. Those who experimentally investigate other ternary and more complex reversible reciprocal systems should take this fact into account [ru

  14. Use of the Primitive Unit Cell in Understanding Subtle Features of the Cubic Closest-Packed Structure

    Science.gov (United States)

    Hawkins, John A.; Rittenhouse, Jeffrey L.; Soper, Linda M.; Rittenhouse, Robert C.

    2008-01-01

    One of the most important crystal structures adopted by metals is characterized by the "abcabc"...stacking of close-packed layers. This structure is commonly referred to in textbooks as the cubic close-packed (ccp) or face-centered cubic (fcc) structure, since the entire lattice can be generated by replication of a face-centered cubic unit cell…

  15. Packing motifs as predictors of the propensity of antibody fragments to crystallize

    Science.gov (United States)

    Edmundson, Allen B.; DeWitt, Christina R.; Goldsteen, Benjamin Z.; Ramsland, Paul A.

    1999-01-01

    A recurring theme in the crystallization of antibody fragments in our laboratory has been a packing pattern involving formation of intermolecular, antiparallel β-pleated sheets across two-fold axes. The most common motif is the antiparallel stacking of constant (C) domains of light (L) chain dimers or Fab molecules. Here, cross-molecule six-stranded sheets are produced by hydrogen-bonding interactions of three-residue polypeptide segments (triads), in the i, i+2 and i+4 positions of the final strands (designated 3-3) of the three-chain layers from two adjacent molecules. In the variable (V) domains the triads are supplied by the first strands (4-1) of the four-chain layers and the resulting cross-molecule sheets contain eight strands. The latter type of packing is more likely to be seen in crystals of Fv fragments (V domains only) than in those of L chain dimers or Fabs. Amongst the triads from either the V or C domains, there are on average four sets of backbone carbonyl and amide groups within hydrogen bonding distance (chain dimers, Fab and Fvs are likely to crystallize in these packing patterns.

  16. Hydrogen Bonding: Between Strengthening the Crystal Packing and Improving Solubility of Three Haloperidol Derivatives.

    Science.gov (United States)

    Saluja, Hardeep; Mehanna, Ahmed; Panicucci, Riccardo; Atef, Eman

    2016-06-01

    The purpose of this study is to confirm the impact of polar functional groups on inter and intra-molecular hydrogen bonding in haloperidol (HP) and droperidol (DP) and, hence, their effects on dissolution using a new approach. To confirm our theory, a new molecule: deshydroxy-haloperidol (DHP) was designed and its synthesis was requested from a contract laboratory. The molecule was then studied and compared to DP and HP. Unlike DHP, both the HP and DP molecules have hydrogen donor groups, therefore, DHP was used to confirm the relative effects of the hydrogen donor group on solubility and crystal packing. The solid dispersions of the three structurally related molecules: HP, DP, and DHP were prepared using PVPK30, and characterized using XRPD and IR. A comparative dissolution study was carried out in aqueous medium. The absence of a hydrogen bonding donor group in DHP resulted in an unexpected increase in its aqueous solubility and dissolution rate from solid dispersion, which is attributed to weaker crystal pack. The increased dissolution rate of HP and DP from solid dispersions is attributed to drug-polymer hydrogen bonding that interferes with the drug-drug intermolecular hydrogen bonding and provides thermodynamic stability of the dispersed drug molecules. The drug-drug intermolecular hydrogen bond is the driving force for precipitation and crystal packing.

  17. Hydrogen Bonding: Between Strengthening the Crystal Packing and Improving Solubility of Three Haloperidol Derivatives

    Directory of Open Access Journals (Sweden)

    Hardeep Saluja

    2016-06-01

    Full Text Available The purpose of this study is to confirm the impact of polar functional groups on inter and intra-molecular hydrogen bonding in haloperidol (HP and droperidol (DP and, hence, their effects on dissolution using a new approach. To confirm our theory, a new molecule: deshydroxy-haloperidol (DHP was designed and its synthesis was requested from a contract laboratory. The molecule was then studied and compared to DP and HP. Unlike DHP, both the HP and DP molecules have hydrogen donor groups, therefore, DHP was used to confirm the relative effects of the hydrogen donor group on solubility and crystal packing. The solid dispersions of the three structurally related molecules: HP, DP, and DHP were prepared using PVPK30, and characterized using XRPD and IR. A comparative dissolution study was carried out in aqueous medium. The absence of a hydrogen bonding donor group in DHP resulted in an unexpected increase in its aqueous solubility and dissolution rate from solid dispersion, which is attributed to weaker crystal pack. The increased dissolution rate of HP and DP from solid dispersions is attributed to drug-polymer hydrogen bonding that interferes with the drug-drug intermolecular hydrogen bonding and provides thermodynamic stability of the dispersed drug molecules. The drug-drug intermolecular hydrogen bond is the driving force for precipitation and crystal packing.

  18. The Tobacco Pack Surveillance System: A Protocol for Assessing Health Warning Compliance, Design Features, and Appeals of Tobacco Packs Sold in Low- and Middle-Income Countries.

    Science.gov (United States)

    Smith, Katherine; Washington, Carmen; Brown, Jennifer; Vadnais, Alison; Kroart, Laura; Ferguson, Jacqueline; Cohen, Joanna

    2015-01-01

    Tobacco remains the world's leading preventable cause of death, with the majority of tobacco-caused deaths occurring in low- and middle-income countries. The first global health treaty, the Framework Convention on Tobacco Control (FCTC), outlines a set of policy initiatives that have been demonstrated as effective in reducing tobacco use. Article 11 of the FCTC focuses on using the tobacco package to communicate tobacco-caused harms; it also seeks to restrict the delivery of misleading information about the product on the pack. The objective of this study was to establish a surveillance system for tobacco packs in the 14 low- and middle-income countries with the greatest number of smokers. The Tobacco Pack Surveillance System (TPackSS) monitors whether required health warnings on tobacco packages are being implemented as intended, and identifies pack designs and appeals that might violate or detract from the communication of harm-related information and undermine the impact of a country's tobacco packaging laws. The protocol outlined is intended to be applicable or adaptable for surveillance efforts in other countries. Tobacco packs were collected in 14 countries during 2013. The intention was, to the extent possible, to construct a census of "unique" pack presentations available for purchase in each country. The TPackSS team partnered with in-country field staff to implement a standardized protocol for acquiring packs from 36 diverse neighborhoods across three cities in each country. At the time of purchase, data on price and place of acquisition of each pack was recorded. The field staff, according to a standardized protocol, then photographed packs before they were shipped to the United States for coding and archiving. Each pack was coded for compliance with the country-specific health warning label laws, as well as for key design features of the pack and appeals of the branding elements. The coding protocols were developed based upon prior research, expert

  19. Crystal structure and packing analysis of nitrofurantoin N,N-dimethylformamide solvate

    Energy Technology Data Exchange (ETDEWEB)

    Cvetkovski, A., E-mail: aleksandar.cvetkovski@ugd.edu.mk [University Goce Delcev, Faculty of Medical Sciences, Krste Misirkov bb (Macedonia, The Former Yugoslav Republic of); Ferretti, V. [University of Ferrara, Department of Chemical and Pharmaceutical Sciences (Italy)

    2016-07-15

    The N, N′-dimethylformamide solvated crystal of the drug nitrofurantoin has been prepared and analysed by single-crystal X-ray diffraction. The two co-crystallized molecules, in the 1 : 1 stoichiometric ratio, are linked by a medium/strong N–H···O hydrogen bond (N···O is 2.759 (3) Å) and a weaker C–H···O interaction to form isolated supramolecular adducts, that in turn are packed into the lattice framework mainly through C–H···O hydrogen bonds. Two-dimensional fingerprint plots of Hirshfeld surfaces are used to visualize, analyze and compare intermolecular interactions found in the title compound and in similar structures.

  20. Shearing single crystal magnesium in the close-packed basal plane at different temperatures

    Science.gov (United States)

    Han, Ming; Li, Lili; Zhao, Guangming

    2018-05-01

    Shear behaviors of single crystal magnesium (Mg) in close-packed (0001) basal plane along the [ 1 bar 2 1 bar 0 ], [ 1 2 bar 10 ], [ 10 1 bar 0 ] and [ 1 bar 010 ] directions were studied using molecular dynamics simulations via EAM potential. The results show that both shear stress-strain curves along the four directions and the motion path of free atoms during shearing behave periodic characteristics. It reveals that the periodic shear displacement is inherently related to the crystallographic orientation in single crystal Mg. Moreover, different temperatures in a range from 10 to 750 K were considered, demonstrating that shear modulus decreases with increasing temperatures. The results agree well with the MTS model. It is manifested that the modulus is independent with the shear direction and the size of the atomic model. This work also demonstrates that the classical description of shear modulus is still effective at the nanoscale.

  1. Organic Semiconductor-Containing Supramolecules: Effect of Small Molecule Crystallization and Molecular Packing

    KAUST Repository

    Rancatore, Benjamin J.

    2016-01-21

    © 2016 American Chemical Society. Small molecules (SMs) with unique optical or electronic properties provide an opportunity to incorporate functionality into block copolymer (BCP)-based supramolecules. However, the assembly of supramolecules based on these highly crystalline molecules differs from their less crystalline counterparts. Here, two families of organic semiconductor SMs are investigated, where the composition of the crystalline core, the location (side- vs end-functionalization) of the alkyl solubilizing groups, and the constitution (branched vs linear) of the alkyl groups are varied. With these SMs, we present a systematic study of how the phase behavior of the SMs affects the overall assembly of these organic semiconductor-based supramolecules. The incorporation of SMs has a large effect on the interfacial curvature, the supramolecular periodicity, and the overall supramolecular morphology. The crystal packing of the SM within the supramolecule does not necessarily lead to the assembly of the comb block within the BCP microdomains, as is normally observed for alkyl-containing supramolecules. An unusual lamellar morphology with a wavy interface between the microdomains is observed due to changes in the packing structure of the small molecule within BCP microdomains. Since the supramolecular approach is modular and small molecules can be readily switched out, present studies provide useful guidance toward access supramolecular assemblies over several length scales using optically active and semiconducting small molecules.

  2. Photonic crystals: features and applications (physics research and technology)

    CERN Document Server

    2013-01-01

    The present book is focused on the study of unprecedented control and manipulation of light by photonic crystals (PCs) and their applications. These are micro- or usually nano-structures composed of periodic indexes of refraction of dielectrics with high refractive index contrast. They exhibit optical frequency band gaps in analogy to electronic bands for a periodic potential of a semiconductor crystal lattice. The gemstone opal and butterflys feathers colours are already referred to as natural examples of photonic crystals. The characteristics of such supper-lattices were first reported by Yablonovitch in 1987. The exploitation of photonic crystals is a promising tool in communication, sensors, optical computing, and nanophotonics. Discussed are the various features of one-dimensional (1D) and two-dimensional (2D) photonic crystals, photonic quasi crystals, heterostuctures and PC fibres under a variety of conditions using several materials, and metamaterials. It also focuses on the applications of PCs in opt...

  3. Role of Steric Hindrance in the Crystal Packing of Z′ = 4 Superstructure of Trimethyltin Hydroxide

    KAUST Repository

    Dey, S.

    2018-01-22

    The roomerature crystal structure of trimethyltin hydroxide, (CH)SnOH, has been described by Anderson et al. [Cryst. Growth Des. 2011, 11, 820-826] as a 2a × 2b × 8c, 32-fold superstructure. We report a a × b × 8c, eight-fold superstructure with orthorhombic P2cn symmetry and Z′ = 4. Structured diffuse scattering observed at the positions of presumed superlattice reflections along a∗ and b∗ might have appeared as Bragg reflections in the experiment by Anderson et al. Alternatively, Anderson et al. and the present work might have studied different polymorphs of (CH)SnOH. Crystalline (CH)SnOH constitutes polymeric chains arranged parallel to c. In the eight-fold superstructure at 220 K, the polymeric chains possess a distorted zigzag arrangement of linked linear O-Sn-O units with bent angle at oxygen of ∼139.2°. This structure is essentially different from the 8-helical arrangement in the published 32-fold superstructure model. The origin of the distorted zigzag structure is explained by steric hindrance between hydrogen atoms of adjacent hydroxy groups and (CH)Sn groups. Frustration in the packing of the chains is determined by steric hindrance between methyl groups of neighboring chains, which prevents the formation of interchain C-H···O hydrogen bonds.

  4. Constraining Cometary Crystal Shapes from IR Spectral Features

    Science.gov (United States)

    Wooden, D. H.; Lindsay, S.; Harker, D. E.; Kelley, M. S.; Woodward, C. E.; Murphy, J. R.

    2013-12-01

    A major challenge in deriving the silicate mineralogy of comets is ascertaining how the anisotropic nature of forsterite crystals affects the spectral features' wavelength, relative intensity, and asymmetry. Forsterite features are identified in cometary comae near 10, 11.05-11.2, 16, 19, 23.5, 27.5 and 33 μm [1-10], so accurate models for forsterite's absorption efficiency (Qabs) are a primary requirement to compute IR spectral energy distributions (SEDs, λFλ vs. λ) and constrain the silicate mineralogy of comets. Forsterite is an anisotropic crystal, with three crystallographic axes with distinct indices of refraction for the a-, b-, and c-axis. The shape of a forsterite crystal significantly affects its spectral features [13-16]. We need models that account for crystal shape. The IR absorption efficiencies of forsterite are computed using the discrete dipole approximation (DDA) code DDSCAT [11,12]. Starting from a fiducial crystal shape of a cube, we systematically elongate/reduce one of the crystallographic axes. Also, we elongate/reduce one axis while the lengths of the other two axes are slightly asymmetric (0.8:1.2). The most significant grain shape characteristic that affects the crystalline spectral features is the relative lengths of the crystallographic axes. The second significant grain shape characteristic is breaking the symmetry of all three axes [17]. Synthetic spectral energy distributions using seven crystal shape classes [17] are fit to the observed SED of comet C/1995 O1 (Hale-Bopp). The Hale-Bopp crystalline residual better matches equant, b-platelets, c-platelets, and b-columns spectral shape classes, while a-platelets, a-columns and c-columns worsen the spectral fits. Forsterite condensation and partial evaporation experiments demonstrate that environmental temperature and grain shape are connected [18-20]. Thus, grain shape is a potential probe for protoplanetary disk temperatures where the cometary crystalline forsterite formed. The

  5. Vacancy formation energies in close-packed crystals correlated with melting temperature via thermodynamics and liquid structure

    International Nuclear Information System (INIS)

    Rashid, R.I.M.A.; March, N.H.

    1988-08-01

    In earlier work, the vacancy formation energy E v in close-packed crystals, in units of the thermal energy k B T m at the melting temperature T m , has been connected with compressibility and specific heats, plus terms dependent on the liquid structure at T m . Here, this connection has been examined quantitatively for (a) the insulating condensed rare gases Ne, Ar and Kr, and (b) a variety of close-packed metals. For case (a), E v /k B T m can be calculated directly from thermodynamic data to obtain agreement with experiment for Ar and Kr, though not for Ne. A 'residual' contribution is estimated for Ar and Kr from diffraction and computer experiments on the density dependence of the liquid pair correlation function and is shown to be very small. Agreement is less impressive for case (b) for the eight close-packed metals for which all data required is known, the thermodynamic formula giving an average value E v /k B T m =7.8+-1.1 whereas experiment yields 9.4+-1.8. However, for the body-centred cubic alkalis the thermodynamic average value of 4.5+-0.5 is much lower than the experimental value 11.5+-2.0 consistent with the known role of ionic relaxation round the vacancy in such open structures. (author). 16 refs, 2 tabs

  6. Crystallization features of normal alkanes in confined geometry.

    Science.gov (United States)

    Su, Yunlan; Liu, Guoming; Xie, Baoquan; Fu, Dongsheng; Wang, Dujin

    2014-01-21

    ) confining environment. We have studied multiple parameters of these microencapsulated n-alkanes, including surface freezing, metastability of the rotator phase, and the phase separation behaviors of n-alkane mixtures using differential scanning calorimetry (DSC), temperature-dependent X-ray diffraction (XRD), and variable-temperature solid-state nuclear magnetic resonance (NMR). Our investigations revealed new direct evidence for the existence of surface freezing in microencapsulated n-alkanes. By examining the differences among chain packing and nucleation kinetics between bulk alkane solid solutions and their microencapsulated counterparts, we also discovered a mechanism responsible for the formation of a new metastable bulk phase. In addition, we found that confinement suppresses lamellar ordering and longitudinal diffusion, which play an important role in stabilizing the binary n-alkane solid solution in microcapsules. Our work also provided new insights into the phase separation of other mixed system, such as waxes, lipids, and polymer blends in confined geometry. These works provide a profound understanding of the relationship between molecular structure and material properties in the context of crystallization and therefore advance our ability to improve applications incorporating polymeric and molecular materials.

  7. Molecular packing and magnetic properties of lithium naphthalocyanine crystals: hollow channels enabling permeability and paramagnetic sensitivity to molecular oxygen

    Science.gov (United States)

    Pandian, Ramasamy P.; Dolgos, Michelle; Marginean, Camelia; Woodward, Patrick M.; Hammel, P. Chris; Manoharan, Periakaruppan T.; Kuppusamy, Periannan

    2009-01-01

    The synthesis, structural framework, magnetic and oxygen-sensing properties of a lithium naphthalocyanine (LiNc) radical probe are presented. LiNc was synthesized in the form of a microcrystalline powder using a chemical method and characterized by electron paramagnetic resonance (EPR) spectroscopy, magnetic susceptibility, powder X-ray diffraction analysis, and mass spectrometry. X-Ray powder diffraction studies revealed a structural framework that possesses long, hollow channels running parallel to the packing direction. The channels measured approximately 5.0 × 5.4 Å2 in the two-dimensional plane perpendicular to the length of the channel, enabling diffusion of oxygen molecules (2.9 × 3.9 Å2) through the channel. The powdered LiNc exhibited a single, sharp EPR line under anoxic conditions, with a peak-to-peak linewidth of 630 mG at room temperature. The linewidth was sensitive to surrounding molecular oxygen, showing a linear increase in pO2 with an oxygen sensitivity of 31.2 mG per mmHg. The LiNc microcrystals can be further prepared as nano-sized crystals without the loss of its high oxygen-sensing properties. The thermal variation of the magnetic properties of LiNc, such as the EPR linewidth, EPR intensity and magnetic susceptibility revealed the existence of two different temperature regimes of magnetic coupling and hence differing columnar packing, both being one-dimensional antiferromagnetic chains but with differing magnitudes of exchange coupling constants. At a temperature of ∼50 K, LiNc crystals undergo a reversible phase transition. The high degree of oxygen-sensitivity of micro- and nano-sized crystals of LiNc, combined with excellent stability, should enable precise and accurate measurements of oxygen concentration in biological systems using EPR spectroscopy. PMID:19809598

  8. The infrared transmission through gold films on ordered two-dimensional non-close-packed colloidal crystals

    International Nuclear Information System (INIS)

    Ju Jing; Zhou Yuqin; Dong Gangqiang

    2014-01-01

    We studied the infrared transmission properties of gold films on ordered two-dimensional non-close-packed polystyrene (PS) colloidal crystal. The gold films consist of gold half-shells on the PS spheres and gold film with 2D arrays of holes on the glass substrate. An extraordinary optical transmission phenomenon could be found in such a structure. Simulations with the finite-difference time-domain method were also employed to get the transmission spectra and electric field distribution. The transmission response of the samples can be adjusted by controlling the thickness of the gold films. Angle-resolved measurements were performed using polarized light to obtain more information about the surface plasmon polariton resonances of the gold films. As the angle changes, the transmission spectra change a lot. The transmission spectra of p-polarized light have quite different properties compared to those of s-polarized light. (semiconductor physics)

  9. Role of Steric Hindrance in the Crystal Packing of Z′ = 4 Superstructure of Trimethyltin Hydroxide

    KAUST Repository

    Dey, S.; Schö nleber, A.; Mondal, S.; Ali, S. I.; van Smaalen, S.

    2018-01-01

    The roomerature crystal structure of trimethyltin hydroxide, (CH)SnOH, has been described by Anderson et al. [Cryst. Growth Des. 2011, 11, 820-826] as a 2a × 2b × 8c, 32-fold superstructure. We report a a × b × 8c, eight-fold superstructure

  10. The Strength of Binary Junctions in Hexagonal Close-Packed Crystals

    Science.gov (United States)

    2014-03-01

    equilib- rium, on either slip plane, the dislocation on that plane intersects both triple points at the same angle with the junc- tion line, regardless...electronic properties of threading dislocations in wide band-gap gallium nitride (a wurtzite crystal structure consisting of two interpenetrating hcp...yield surface was composed of individual points , it pro- vided insight on the resistance of the lock to breaking as a result of the applied stresses. Via

  11. The quaternary structure of the amidase from Geobacillus pallidus RAPc8 is revealed by its crystal packing

    International Nuclear Information System (INIS)

    Agarkar, Vinod B.; Kimani, Serah W.; Cowan, Donald A.; Sayed, Muhammed F.-R.; Sewell, B. Trevor

    2006-01-01

    The amidase from G. pallidus RAPc8, a moderate thermophile, converts amides to the corresponding acids and ammonia and has application as an industrial catalyst. RAPc8 amidase has been cloned, expressed and purified, and then crystallized using the hanging-drop vapour-diffusion method. The amidase from Geobacillus pallidus RAPc8, a moderate thermophile, is a member of the nitrilase enzyme superfamily. It converts amides to the corresponding acids and ammonia and has application as an industrial catalyst. RAPc8 amidase has been cloned and functionally expressed in Escherichia coli and has been purified by heat treatment and a number of chromatographic steps. The enzyme was crystallized using the hanging-drop vapour-diffusion method. Crystals produced in the presence of 1.2 M sodium citrate, 400 mM NaCl, 100 mM sodium acetate pH 5.6 were selected for X-ray diffraction studies. A data set having acceptable statistics to 1.96 Å resolution was collected under cryoconditions using an in-house X-ray source. The space group was determined to be primitive cubic P4 2 32, with unit-cell parameter a = 130.49 (±0.05) Å. The structure was solved by molecular replacement using the backbone of the hypothetical protein PH0642 from Pyrococcus horikoshii (PDB code 1j31) with all non-identical side chains substituted with alanine as a probe. There is one subunit per asymmetric unit. The subunits are packed as trimers of dimers with D3 point-group symmetry around the threefold axis in such a way that the dimer interface seen in the homologues is preserved

  12. The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics

    Czech Academy of Sciences Publication Activity Database

    Fanfrlík, Jindřich; Přáda, A.; Padělková, Z.; Pecina, Adam; Macháček, Jan; Lepšík, Martin; Holub, Josef; Růžička, A.; Hnyk, Drahomír; Hobza, Pavel

    2014-01-01

    Roč. 53, č. 38 (2014), s. 10139-10142 ISSN 1433-7851 R&D Projects: GA ČR GBP208/12/G016; GA ČR GAP208/10/2269 Grant - others:GA MŠk(CZ) ED2.1.00/03.0058; GA MŠk(CZ) ED1.1.00/02.0070; GA MŠk(CZ) LM2011033 Program:ED; ED Institutional support: RVO:61388963 ; RVO:61388980 Keywords : boranes * chalcogen bonds * crystal structures * sulfur * X-ray diffraction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.261, year: 2014

  13. Nutrition warnings as front-of-pack labels: influence of design features on healthfulness perception and attentional capture.

    Science.gov (United States)

    Cabrera, Manuel; Machín, Leandro; Arrúa, Alejandra; Antúnez, Lucía; Curutchet, María Rosa; Giménez, Ana; Ares, Gastón

    2017-12-01

    Warnings are a new directive front-of-pack (FOP) nutrition labelling scheme that highlights products with high content of key nutrients. The design of warnings influences their ability to catch consumers' attention and to clearly communicate their intended meaning, which are key determinants of their effectiveness. The aim of the present work was to evaluate the influence of design features of warnings as a FOP nutrition labelling scheme on perceived healthfulness and attentional capture. Five studies with a total of 496 people were carried out. In the first study, the association of colour and perceived healthfulness was evaluated in an online survey in which participants had to rate their perceived healthfulness of eight colours. In the second study, the influence of colour, shape and textual information on perceived healthfulness was evaluated using choice-conjoint analysis. The third study focused on implicit associations between two design features (shape and colour) on perceived healthfulness. The fourth and fifth studies used visual search to evaluate the influence of colour, size and position of the warnings on attentional capture. Perceived healthfulness was significantly influenced by shape, colour and textual information. Colour was the variable with the largest contribution to perceived healthfulness. Colour, size and position of the warnings on the labels affected attentional capture. Results from the experiments provide recommendations for the design of warnings to identify products with unfavourable nutrient profile.

  14. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- ... solution (specific gravity, 1⋅04 g/cc) with d-tartaric acid solution having ... resulting in the production of crystal nuclei. The interface.

  15. A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing.

    Science.gov (United States)

    Holub, Josef; Melichar, Petr; Růžičková, Zdeňka; Vrána, Jan; Wann, Derek A; Fanfrlík, Jindřich; Hnyk, Drahomír; Růžička, Aleš

    2017-10-17

    We have prepared nido-7,8,9,11-Sb 2 C 2 B 7 H 9 , the first cluster with simultaneous Sb-B, Sb-C and Sb-Sb atom pairs with interatomic separations with magnitudes that approach the respective sums of covalent radii. However, the length of the Sb-Sb separation in this cluster is slightly less than the sum of the covalent radii. Quantum chemical analysis has revealed that the crystal packing of nido-7,8,9,11-Sb 2 C 2 B 7 H 9 is predominantly dictated by pnictogen (Pn) bonding, an unconventional σ-hole interaction. Indeed, the interaction energy of a very strong Sb 2 H-B Pn-bond in the nido-7,8,9,11-Sb 2 C 2 B 7 H 9 dimer exceeds -6.0 kcal mol -1 . This is a very large value and is comparable to the strengths of known Pn-bonds in Cl 3 Pnπ complexes (Pn = As, Sb).

  16. Molecular imprinted opal closest-packing photonic crystals for the detection of trace 17β-estradiol in aqueous solution.

    Science.gov (United States)

    Sai, Na; Wu, Yuntang; Sun, Zhong; Huang, Guowei; Gao, Zhixian

    2015-11-01

    A novel opal closest-packing (OCP) photonic crystal (PC) was prepared by the introduction of molecular imprinting technique into the OCP PC. This molecular imprinted (MI)-OCP PC was fabricated via a vertical convective self-assembly method using 17β-estradiol (E2) as template molecules for monitoring E2 in aqueous solution. Morphology characterization showed that the MI-OCP PC possessed a highly ordered three-dimensional (3D) periodically-ordered structure, showing the desired structural color. The proposed PC material displayed a reduced reflection intensity when detecting E2 in water environment, because the molecular imprinting recognition events make the optical characteristics of PC change. The Bragg diffraction intensity decreased by 19.864 a.u. with the increase of E2 concentration from 1.5 ng mL(-1) to 364.5 ng mL(-1) within 6 min, whereas there were no obvious peak intensity changes for estriol, estrone, cholesterol, testosterone and diethylstilbestrol, indicating that the MI-OCP PC had selective and rapid response for E2 molecules. The adsorption results showed that the OCP structure and homogeneous layers were created in the MI-OCP PC with higher adsorption capacity. Thus, it was learned the MI-OCP PC is a simple prepared, sensitive, selective, and easy operative material, which shows promising use in routine supervision for residue detection in food and environment. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Ming W.; Stewart, Scott G.; Sobolev, Alexandre N.; Dittrich, Birger; Schirmeister, Tanja; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Spackman, Peter R.; Spackman, Mark A.; Grabowsky, Simon (Heinrich-Heine); (Freie); (UC); (Bremen); (JG-UM); (UWA)

    2017-01-24

    The trans-epoxysuccinyl amide group as a biologically active moiety in cysteine protease inhibitors such as loxistatin acid E64c has been used as a benchmark system for theoretical studies of environmental effects on the electron density of small active ingredients in relation to their biological activity. Here, the synthesis and the electronic properties of the smallest possible active site model compound are reported to close the gap between the unknown experimental electron density of trans-epoxysuccinyl amides and the well-known function of related drugs. Intramolecular substituent effects are separated from intermolecular crystal packing effects on the electron density, which allows us to predict the conditions under which an experimental electron density investigation on trans-epoxysuccinyl amides will be possible. In this context, the special importance of the carboxylic acid function in the model compound for both crystal packing and biological activity is revealed through the novel tool of model energy analysis.

  18. Unusual Features of Crystal Structures of Some Simple Copper Compounds

    Science.gov (United States)

    Douglas, Bodie

    2009-01-01

    Some simple copper compounds have unusual crystal structures. Cu[subscript 3]N is cubic with N atoms at centers of octahedra formed by 6 Cu atoms. Cu[subscript 2]O (cuprite) is also cubic; O atoms are in tetrahedra formed by 4 Cu atoms. These tetrahedra are linked by sharing vertices forming two independent networks without linkages between them.…

  19. Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials.

    Science.gov (United States)

    Vela, Sergi; Novoa, Juan J; Ribas-Arino, Jordi

    2014-12-28

    Iron(II) complexes of the [Fe(II)(1-bpp2)](2+) type (1-bpp = 2,6-di(pyrazol-1-yl)pyridine) have been intensively investigated in the context of crystal engineering of switchable materials because their spin-crossover (SCO) properties dramatically depend on the counterions. Here, by means of DFT + U calculations at the molecular and solid state levels we provide a rationale for the different SCO behaviour of the BF4(-) and ClO4(-) salts of the parent complex; the former features Fe(II) complexes with a regular coordination geometry and undergoes a spin transition, whereas the Fe(II) complexes of the latter adopt a distorted structure and remain in the high-spin state at all temperatures. The different SCO behaviour of both salts can be explained on the basis of a combination of thermodynamic and kinetic effects. The shape of the SCO units at high temperature is thermodynamically controlled by the intermolecular interactions between the SCO units and counterions within the crystal. The spin trapping at low temperatures in the ClO4(-) salt, in turn, is traced back to a kinetic effect because our calculations have revealed the existence of a more stable polymorph having SCO units in their low-spin state that feature a regular structure. From the computational point of view, it is the first time that the U parameter is fine-tuned on the basis of CASPT2 calculations, thereby enabling an accurate description of the energetics of the spin transition at both molecular and solid-state levels.

  20. Crystal-chemical features of the solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Titov, V.V.; Kesler, Ya.A.; Gordeev, I.V.; Mozhaev, A.P.

    1988-04-01

    The unusual magnetic properties of the solid solutions of CuCr/sub 2/S/sub 4/ in Cu/sub 0.5/Mo/sub 0.5/Cr/sub 2/S/sub 4/ (M = Al, Ga, In) are closely related to the crystal chemistry of these compounds. Specimens for structural investigation were obtained by solid-phase synthesis in evacuated quartz capsules. X-ray phase analysis of all the compounds was made by the powder method in a DRON-1 diffractometer with Cu K..cap alpha.. filtered radiation. The experimental confirmation of the ordering of the cations in the tetrahedral sublattice of the investigated spinels was obtained by the authors from their IR absorption spectra taken in the range 400-33 cm/sup /minus/1/. The presence of seven intense absorption bands in the spectra of the specimens indicates that these materials belong to the space group F/anti/43m, i.e., that there is ordering in the A sublattice. Their investigation led them to the conclusion that in a number of cases the vibrational spectra of the crystals are more sensitive in the investigation of atomic ordering than the spectra of x-ray and neutron diffraction, in agreement with the theoretical predictions.

  1. One primary collimator with optional crystal feature, tested with beam

    CERN Document Server

    EuCARD, Collaboration

    2014-01-01

    The WP8 of EuCARD aims at the design of more advanced materials and collimator concepts for high beam power in particle accelerators like LHC and FAIR. Deliverable 8.3.1 concerned the production and the validation by beam tests of an advanced collimator prototype to improve various aspects of the LHC collimation system, such as the accuracy of the collimator jaw alignment to the circulating beam, the duration of collimator setup time and the overall halo cleaning performance. A collimator prototype was built and installed in the SPS for beam tests in the running period between 2010 and 2012. Crystal collimation aspects were dealt with in a dedicated SPS experiment, which also profited from EuCARD contributions.

  2. Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

    KAUST Repository

    Miller, Nichole Cates

    2012-09-05

    The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

    KAUST Repository

    Miller, Nichole Cates; Cho, Eunkyung; Junk, Matthias J N; Gysel, Roman; Risko, Chad; Kim, Dongwook; Sweetnam, Sean; Miller, Chad E.; Richter, Lee J.; Kline, Regis Joseph; Heeney, Martin J.; McCulloch, Iain A.; Amassian, Aram; Acevedo-Feliz, Daniel; Knox, Christopher; Hansen, Michael Ryan; Dudenko, Dmytro V.; Chmelka, Bradley F.; Toney, Michael F.; Bré das, Jean Luc; McGehee, Michael D.

    2012-01-01

    The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The features of radiation damages in L-alanine crystals

    International Nuclear Information System (INIS)

    Zaitov, V.R.; Onischuk, V.A.

    1996-01-01

    The method of the ESR alanine dosimetry has appeared the most convenient one for measurement of radiation dose in the range 1-10 6 Gy. Its peculiarities are the wide dose range, the high accuracy, the absence fading at room temperature, the possibility of many times repeated measurements as dosemeter accumulates dose, the simplicity of measurements. Because of this performance ESR alanine dosimetry technique can be applied to continuous monitoring radiation doses absorbed by materials on nuclear power stations as well as of dose fields and restoration doses after an accident situation. In order to determine accurately the absorbed dose in an accident on background of accumulated dose for previous period, it is necessary to the utmost increase the accuracy of dosimetry system. For this reason it is necessary to know how the properties of free radicals which formings in irradiated L-alanine are displayed in signal ESR. With the purpose to detect the structure of the free radicals the ESR spectra the L-alanine and L-alanine-d 3 single crystals were studied. The samples were grown by slow evaporation of the saturated aqueous solution. For obtain the L-alanine-d 3 the three-divisible recrystallization in heavy water had been used. The samples were irradiated with 60 Co at room temperature and in liquid nitrogen. The irradiation doses were 10 kGy and dose rate was 8,3 Gy/s. To increase the resolution of the ESR spectra hyperfine structure the second derivative for the absorption curve was registered. The measurements were conducted in X-range at temperatures 77-430 K. (author)

  5. A new constitutive analysis of hexagonal close-packed metal in equal channel angular pressing by crystal plasticity finite element method

    Science.gov (United States)

    Li, Hejie; Öchsner, Andreas; Yarlagadda, Prasad K. D. V.; Xiao, Yin; Furushima, Tsuyoshi; Wei, Dongbin; Jiang, Zhengyi; Manabe, Ken-ichi

    2018-01-01

    Most of hexagonal close-packed (HCP) metals are lightweight metals. With the increasing application of light metal products, the production of light metal is increasingly attracting the attentions of researchers worldwide. To obtain a better understanding of the deformation mechanism of HCP metals (especially for Mg and its alloys), a new constitutive analysis was carried out based on previous research. In this study, combining the theories of strain gradient and continuum mechanics, the equal channel angular pressing process is analyzed and a HCP crystal plasticity constitutive model is developed especially for Mg and its alloys. The influence of elevated temperature on the deformation mechanism of the Mg alloy (slip and twin) is novelly introduced into a crystal plasticity constitutive model. The solution for the new developed constitutive model is established on the basis of the Lagrangian iterations and Newton Raphson simplification.

  6. Observation of higher-order diffraction features in self-assembled photonic crystals

    International Nuclear Information System (INIS)

    Nair, Rajesh V.; Vijaya, R.

    2007-01-01

    The optical response of high quality three dimensionally (3D) ordered photonic crystals is analyzed in the high energy region. By tuning the reflectance with the angle of incidence of light, the peaks in the reflection spectrum that correspond to the first, second, and third order photonic stop bands and the van Hove singular point in the photon density of states are clearly distinguished. The high energy features have been observed for photonic crystals made from colloids of different diameters, having different index contrast and fabricated by two different self-assembly routes. The observation of van Hove singularity at near-normal incidence of light and its presence even in low index-contrast photonic crystals provide conclusive evidence that these high energy features are due to the perfect periodic ordering present in the photonic crystals with less defects and disorder

  7. Features of photoinduced magnetism in some yttrium–iron-garnet single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Vorob’eva, N. V., E-mail: vnv@anrb.ru [Akmulla Bashkir State Pedagogical University (Russian Federation); Mityukhlyaev, V. B. [Investigation Center for Surface and Vacuum (Russian Federation)

    2016-04-15

    Photoinduced magnetic phenomena are considered in yttrium–iron single-crystalline garnets grown from a BaO–B{sub 2}O{sub 3} molten solution with the addition of iridium to the initial melt. The features of the composition and defects of the crystal structure of the samples in the surface layer are determined. In view of this, explanations for features of the photoinduced magnetic phenomena in the investigated crystals are proposed. The determining role of oxygen anions for the photoinduced magnetic phenomena at room temperature is highlighted, and the possible role of a variation in the dopant content and composition is considered.

  8. Low-temperature plasma etching of high aspect-ratio densely packed 15 to sub-10 nm silicon features derived from PS-PDMS block copolymer patterns

    International Nuclear Information System (INIS)

    Liu, Zuwei; Sassolini, Simone; Olynick, Deirdre L; Gu, Xiaodan; Hwu, Justin

    2014-01-01

    The combination of block copolymer (BCP) lithography and plasma etching offers a gateway to densely packed sub-10 nm features for advanced nanotechnology. Despite the advances in BCP lithography, plasma pattern transfer remains a major challenge. We use controlled and low substrate temperatures during plasma etching of a chromium hard mask and then the underlying substrate as a route to high aspect ratio sub-10 nm silicon features derived from BCP lithography. Siloxane masks were fabricated using poly(styrene-b-siloxane) (PS-PDMS) BCP to create either line-type masks or, with the addition of low molecular weight PS-OH homopolymer, dot-type masks. Temperature control was essential for preventing mask migration and controlling the etched feature’s shape. Vertical silicon wire features (15 nm with feature-to-feature spacing of 26 nm) were etched with aspect ratios up to 17 : 1; higher aspect ratios were limited by the collapse of nanoscale silicon structures. Sub-10 nm fin structures were etched with aspect ratios greater than 10 : 1. Transmission electron microscopy images of the wires reveal a crystalline silicon core with an amorphous surface layer, just slightly thicker than a native oxide. (paper)

  9. Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene.

    Science.gov (United States)

    Ryno, Sean M; Risko, Chad; Brédas, Jean-Luc

    2014-04-30

    Polarization energy corresponds to the stabilization of the cation or anion state of an atom or molecule when going from the gas phase to the solid state. The decrease in ionization energy and increase in electron affinity in the solid state are related to the (electronic and nuclear) polarization of the surrounding atoms and molecules in the presence of a charged entity. Here, through a combination of molecular mechanics and quantum mechanics calculations, we evaluate the polarization energies in two prototypical organic semiconductors, pentacene and 6,13-bis(2-(tri-isopropylsilyl)ethynyl)pentacene (TIPS-pentacene). Comparison of the results for the two systems reveals the critical role played by the molecular packing configurations in the determination of the polarization energies and provides physical insight into the experimental data reported by Lichtenberger and co-workers (J. Amer. Chem. Soc. 2010, 132, 580; J. Phys. Chem. C 2010, 114, 13838). Our results underline that the impact of packing configurations, well established in the case of the charge-transport properties, also extends to the polarization properties of π-conjugated materials.

  10. Br...Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes.

    Science.gov (United States)

    Suarez, Sebastián A; Muller, Federico; Gutiérrez Suburu, Matías E; Fonrouge, Ana; Baggio, Ricardo F; Cukiernik, Fabio D

    2016-10-01

    The crystalline structures of four homologues of the 1,2-dibromo-4,5-dialkoxybenzene series [Br 2 C 6 H 2 (OC n H 2n + 1 ) 2 for n = 2, 12, 14 and 18] have been solved by means of single-crystal crystallography. Comparison along the series, including the previously reported n = 10 and n = 16 derivatives, shows a clear metric trend (b and c essentially fixed along the series and a growing linearly with n), in spite of some subtle differences in space groups and/or packing modes. A uniform packing pattern for the aliphatic chains has been found for the n = 12 to 18 homologues, which slightly differs from that of the n = 10 derivative. The crystalline structures of all the higher homologues (n = 10-18) seem to arise from van der Waals interchain interactions and, to a lesser extent, type II Br...Br interactions. The dominant role of interchain interactions provides direct structural support for the usual interpretation of melting point trends like that found along this series. Atoms in Molecules (AIM) analysis allows a comparison of the relative magnitude of the interchain and Br...Br interactions, an analysis validated by the measured melting enthalpies.

  11. Simulations of wave propagation and disorder in 3D non-close-packed colloidal photonic crystals with low refractive index contrast.

    Science.gov (United States)

    Glushko, O; Meisels, R; Kuchar, F

    2010-03-29

    The plane-wave expansion method (PWEM), the multiple-scattering method (MSM) and the 3D finite-difference time-domain method (FDTD) are applied for simulations of propagation of electromagnetic waves through 3D colloidal photonic crystals. The system investigated is not a "usual" artificial opal with close-packed fcc lattice but a dilute bcc structure which occurs due to long-range repulsive interaction between electrically charged colloidal particles during the growth process. The basic optical properties of non-close-packed colloidal PhCs are explored by examining the band structure and reflection spectra for a bcc lattice of silica spheres in an aqueous medium. Finite size effects and correspondence between the Bragg model, band structure and reflection spectra are discussed. The effects of size, positional and missing-spheres disorder are investigated. In addition, by analyzing the results of experimental work we show that the fabricated structures have reduced plane-to-plane distance probably due to the effect of gravity during growth.

  12. Large Electro-Optic Kerr-Effect in Ionic Liquid Crystals: Connecting Features of Liquid Crystals and Polyelectrolytes.

    Science.gov (United States)

    Schlick, Michael Christian; Kapernaum, Nadia; Neidhardt, Manuel; Wöhrle, Tobias; Stöckl, Yannick; Laschat, Sabine; Gießelmann, Frank

    2018-06-06

    The electro-optic Kerr effect in the isotropic phase of two ionic liquid crystals (ILCs) is investigated and compared to the Kerr effect in non-ionic liquid crystals (LCs) with same phase sequences, namely direct isotropic to hexagonal columnar transitions and direct isotropic to smectic-A transitions. Up to electric field amplitudes of some 106 V m-1, the optical birefringence induced in the isotropic phases follows Kerr's law and strongly increases when the temperature approaches the transition temperature into the particular liquid crystalline phase. Close to the transition, maximum Kerr constants in the order of 10-11 m V-2 are found, which are more than ten times higher than the Kerr constant of nitrobenzene, a strongly dipolar fluid with a huge Kerr effect applied in optical shutters and phase modulators. In comparison to their non-ionic LC counterparts the Kerr effect in ILCs is found to be enhanced in magnitude, but slowed-down in speed, showing rise times in the order of ten milliseconds. These remarkable differences are attributed to the presence of counterion polarization well-known from complex ionic fluids such as polyelectrolytes or ionic micellar solutions. ILCs thus combine the Kerr effect features of liquid crystals and complex ionic fluids. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Effects of molecular packing in organic crystals on singlet fission with ab initio many body perturbation theory

    Science.gov (United States)

    Haber, Jonah; Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

    Multi-exciton generation processes, in which multiple charge carriers are generated from a single photon, are mechanisms of significant interest for achieving efficiencies beyond the Shockley-Queisser limit of conventional p-n junction solar cells. One well-studied multiexciton process is singlet fission, whereby a singlet decays into two spin-correlated triplet excitons. Here, we use a newly developed computational approach to calculate singlet-fission coupling terms and rates with an ab initio Green's function formalism based on many-body perturbation theory (MBPT) within the GW approximation and the Bethe-Salpeter equation approach. We compare results for crystalline pentacene and TIPS-pentacene and explore the effect of molecular packing on the singlet fission mechanism. This work is supported by the Department of Energy.

  14. Crystal surface analysis using matrix textural features classified by a Probabilistic Neural Network

    International Nuclear Information System (INIS)

    Sawyer, C.R.; Quach, V.T.; Nason, D.; van den Berg, L.

    1991-01-01

    A system is under development in which surface quality of a growing bulk mercuric iodide crystal is monitored by video camera at regular intervals for early detection of growth irregularities. Mercuric iodide single crystals are employed in radiation detectors. A microcomputer system is used for image capture and processing. The digitized image is divided into multiple overlappings subimage and features are extracted from each subimage based on statistical measures of the gray tone distribution, according to the method of Haralick [1]. Twenty parameters are derived from each subimage and presented to a Probabilistic Neural Network (PNN) [2] for classification. This number of parameters was found to be optimal for the system. The PNN is a hierarchical, feed-forward network that can be rapidly reconfigured as additional training data become available. Training data is gathered by reviewing digital images of many crystals during their growth cycle and compiling two sets of images, those with and without irregularities. 6 refs., 4 figs

  15. Shock wave compression of hexagonal-close-packed metal single crystals: Time-dependent, anisotropic elastic-plastic response of beryllium

    International Nuclear Information System (INIS)

    Winey, J. M.; Gupta, Y. M.

    2014-01-01

    Understanding and modeling the response of hcp metals to high stress impulsive loading is challenging because the lower crystal symmetry, compared to cubic metals, results in a significantly more complex material response. To gain insight into the inelastic deformation of hcp metals subjected to high dynamic stresses, shock wave compression of single crystals provides a useful approach because different inelastic deformation mechanisms can be examined selectively by shock compression along different crystal orientations. As a representative example, we report, here, on wave propagation simulations for beryllium (Be) single crystals shocked along the c-axis, a-axis, and several low-symmetry directions to peak stresses reaching 7 GPa. The simulations utilized a time-dependent, anisotropic material model that incorporated dislocation dynamics, deformation twinning, and shear cracking based descriptions of inelastic deformation. The simulation results showed good overall agreement with measured wave profiles for all the different crystal orientations examined [Pope and Johnson, J. Appl. Phys. 46, 720 (1975)], including features arising from wave mode coupling due to the highly anisotropic inelastic response of Be. This good agreement demonstrates that the measured profiles can be understood in terms of dislocation slip along basal, prismatic, and pyramidal planes, together with deformation twinning along (101 ¯ 2) planes. Our results show that the response of shocked Be single crystals involves the simultaneous operation of multiple, distinct inelastic deformation mechanisms for all orientations except the c-axis. For shocked c-axis Be, the measured wave profiles do not provide good discrimination between pyramidal slip and other inelastic deformation mechanisms, such as shear cracking. The findings presented here provide insight into the complex inelastic deformation response of shocked Be single crystals and are expected to be useful for other hcp crystals. More

  16. Crystal structures of MBi{sub 2}Br{sub 7} (M = Rb, Cs) - filled variants of AX{sub 7} sphere packing

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Jen-Hui; Wolff, Alexander [Fachrichtung Chemie und Lebensmittelchemie, Technische Universitaet Dresden, 01062 Dresden (Germany); Ruck, Michael [Fachrichtung Chemie und Lebensmittelchemie, Technische Universitaet Dresden, 01062 Dresden (Germany); Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany)

    2016-03-15

    The reinvestigation of the pseudo-binary systems MBr-BiBr{sub 3} (M = Rb, Cs) revealed two new phases with composition MBi{sub 2}Br{sub 7}. Both compounds are hygroscopic and show brilliant yellow color. The crystal structures were solved from X-ray single crystal diffraction data. The isostructural compounds adopt a new structure type in the triclinic space group P anti 1. The lattice parameters are a = 755.68(3) pm, b = 952.56(3) pm, c = 1044.00(4) pm, α = 76.400(2) , β = 84.590(2) , γ = 76.652(2) for RbBi{sub 2}Br{sub 7} and a = 758.71(5) pm, b = 958.23(7) pm, c = 1060.24(7) pm, α = 76.194(3) , β = 83.844(4) , γ = 76.338(3) for CsBi{sub 2}Br{sub 7}. The crystal structures consist of M{sup +} cations in anticuboctahedral coordination by bromide ions and bromidobismuthate(III) layers {sup 2}{sub ∞}[Bi{sub 2}Br{sub 7}]{sup -}. The 2D layers comprise pairs of BiBr{sub 6} octahedra sharing a common edge. The Bi{sub 2}Br{sub 10} double octahedra are further connected by common vertices. The bismuth(III) atoms increase their mutual distance in the double octahedra by off-centering so that the BiBr{sub 6} octahedra are distorted. The CsBi{sub 2}Br{sub 7} type can be interpreted as a common hexagonal close sphere packing of M and Br atoms, in which 1/4 of the octahedral voids are filled by Bi atoms. The structure type was systematically analyzed and compared with alternative types of common packings. The existence of a compound with the suggested composition CsBiBr{sub 4} could not be verified experimentally. (Copyright copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Photonic crystals based on opals and inverse opals: synthesis and structural features

    International Nuclear Information System (INIS)

    Klimonsky, S O; Abramova, Vera V; Sinitskii, Alexander S; Tretyakov, Yuri D

    2011-01-01

    Methods of synthesis of photonic crystals based on opals and inverse opals are considered. Their structural features are discussed. Data on different types of structural defects and their influence on the optical properties of opaline materials are systematized. The possibilities of investigation of structural defects by optical spectroscopy, electron microscopy, microradian X-ray diffraction, laser diffraction and using an analysis of Kossel ring patterns are described. The bibliography includes 253 references.

  18. Investigation of element contents of natural diamond crystals of different gemological features by INAA and autoradiography

    International Nuclear Information System (INIS)

    Khamrayeva, D.S.; Ulugmuradov, S.; Didyk, A.Y.; Gasanov, M.; Solodova, J.P.; Sedova, E.A.

    2004-01-01

    Full text: The work presented aims at understanding the role of Co, Ni, Ti, Cr, Mn, Cu impurities on the natural diamond ( Type Ι ) quality, microstructure and morphology having different gemological features for identification their deposit. An according of the Kimberly Process there is Certification Scheme for regulating trade in diamonds to exclude 'bloody' diamonds. The 'four C's' criteria (color, clarity, carat weight, cut) had for decades been used by gemologists worldwide to evaluate precious gem diamonds. Those four parameters were believed to determine the value of the stones. Some 10 years ago gemologists added to those traditional criteria a fifth C, signifying Confidence. The role of the fifth C in pricing precious stones increased over time. An according of the Kimberly Process it is necessary to determine diamond deposit. Impurity content of natural diamonds is basic feature to for identification their deposit. We have used autoradiographic technique for investigation of spatial impurity distributions in natural diamond crystals. It is based on the secondary beta irradiation registration. Impurities were identified by energy lines of the gamma spectra obtained and by half-life periods. We bring information which allow to clarify the spatial distributions of Co, Ni, Ti, Cr, Mn, Cu impurities depended inner morphology of diamond crystal. It was established several types of impurity distributions depending from inner morphology of diamond crystals. Results of INAA and autoradiographic study of natural diamonds use for to make of international data for identification their deposit

  19. Vitamin K 3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature

    Science.gov (United States)

    Rane, Sandhya; Ahmed, Khursheed; Salunke-Gawali, Sunita; Zaware, Santosh B.; Srinivas, D.; Gonnade, Rajesh; Bhadbhade, Mohan

    2008-12-01

    Temperature-induced packing polymorphism is observed for vitamin K 3 (menadione, 3-methyl-1,4-naphthoquinone, 1). Form 1a crystallizes at 300 K and 1b at 277 K both in the same space group P2 1/ c. Form 1b contains one molecule per asymmetric unit, performing anisotropy in g-factor viz. g z = 2.0082, g y = 2.0055 and g x = 2.0025, whereas form 1a contains two molecules in its asymmetric unit. Vitamin K 3 family members 2, [2-hydroxy vitamin K 3] and 3, [2-hydroxy-1-oximino vitamin K 3] also perform intrinsic neutral active naphthosemiquinone valence tautomers even in dark having spin concentrations due to hydrogen bonding and aromatic stacking interactions which are compared to vitamin K 3. The significant lateral C-H⋯O and O-H⋯π bifurcated or π-π ∗ interactions are discussed for molecular associations and radical formations. X-ray structure of 3 revealed π-π ∗ stack dimers as radicals signatured in EPR as triplet with five hyperfine splits [ Ā( 14N) = 11.9 G]. The centrosymmetric biradicals in 3 show diamagnetism at high temperature but below 10 K it shows paramagnetism with μeff as 0.19 B.M. Vitamin K 3 and its family members inhibit biological activities of acid phosphatase ( APase), which are proportional to their spin concentrations. This may relate to their probable anti-oncogenic candidature in future.

  20. TargetCrys: protein crystallization prediction by fusing multi-view features with two-layered SVM.

    Science.gov (United States)

    Hu, Jun; Han, Ke; Li, Yang; Yang, Jing-Yu; Shen, Hong-Bin; Yu, Dong-Jun

    2016-11-01

    The accurate prediction of whether a protein will crystallize plays a crucial role in improving the success rate of protein crystallization projects. A common critical problem in the development of machine-learning-based protein crystallization predictors is how to effectively utilize protein features extracted from different views. In this study, we aimed to improve the efficiency of fusing multi-view protein features by proposing a new two-layered SVM (2L-SVM) which switches the feature-level fusion problem to a decision-level fusion problem: the SVMs in the 1st layer of the 2L-SVM are trained on each of the multi-view feature sets; then, the outputs of the 1st layer SVMs, which are the "intermediate" decisions made based on the respective feature sets, are further ensembled by a 2nd layer SVM. Based on the proposed 2L-SVM, we implemented a sequence-based protein crystallization predictor called TargetCrys. Experimental results on several benchmark datasets demonstrated the efficacy of the proposed 2L-SVM for fusing multi-view features. We also compared TargetCrys with existing sequence-based protein crystallization predictors and demonstrated that the proposed TargetCrys outperformed most of the existing predictors and is competitive with the state-of-the-art predictors. The TargetCrys webserver and datasets used in this study are freely available for academic use at: http://csbio.njust.edu.cn/bioinf/TargetCrys .

  1. Power Packing

    Centers for Disease Control (CDC) Podcasts

    2011-08-16

    In this podcast for kids, the Kidtastics talk about how to pack a lunch safely, to help keep you from getting sick.  Created: 8/16/2011 by National Center for Emerging and Zoonotic Infectious Diseases (NCEZID).   Date Released: 8/16/2011.

  2. Packing Smart

    Centers for Disease Control (CDC) Podcasts

    2011-08-22

    In this podcast for kids, the Kidtastics talk about packing a lunch that's not boring and is full of the power and energy kids need to make it through the day.  Created: 8/22/2011 by National Center for Emerging and Zoonotic Infectious Diseases (NCEZID).   Date Released: 8/22/2011.

  3. Features of bicrystal growth during the directional crystallization of metal melts

    Energy Technology Data Exchange (ETDEWEB)

    Gubernatorov, V. V.; Sycheva, T. S., E-mail: sych@imp.uran.ru; Gundyrev, V. M.; Akshentsev, Yu. N. [Russian Academy of Sciences, M.N. Mikheev Institute of Metal Physics, Ural Branch (Russian Federation)

    2017-03-15

    The factors responsible for the formation of different configurations of boundaries between adjacent crystallites during their growth from melt by Bridgman and Czochralski methods have been considered by an of example Fe–20 wt % Ga alloy and Ni bicrystals. It is found that the configuration of intercrystallite boundary is related to the features of crystallite growth, caused by the strained state of intercrystallite and interphase (crystal–melt) boundaries, the difference in the linear thermal expansion coefficients of the crystallite boundaries and bulk, and the shape (geometry) of the bicrystal cross section. It is suggested that the strained state of boundaries and the formation of substructure in crystallites during directional crystallization from metal melt are significantly affected by their deformation under the melt weight.

  4. Organic semiconductor crystals.

    Science.gov (United States)

    Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping

    2018-01-22

    Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.

  5. Crystal structure of a 2:1 piroxicam–gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules

    Energy Technology Data Exchange (ETDEWEB)

    Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.

    2016-11-04

    A new 2:1 co-crystal of piroxicam and gentisic acid [systematic name: 4-hydroxy-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ6,2-benzothiazine-3-carboxamide–2-(4-oxido-1,1-dioxo-2H-1λ6,2-benzothiazine-3-amido)pyridin-1-ium–2,5-dihydroxybenzoic acid, 2C15H13N3O4S·C7H6O4] has been synthesized using a microfluidic platform and initially identified using Raman spectroscopy. In the co-crystal, one piroxicam molecule is in its neutral form and an intramolecular O—H...O hydrogen bond is observed. The other piroxicam molecule is zwitterionic (proton transfer from the OH group to the pyridine N atom) and two intramolecular N—H...O hydrogen bonds occur. The gentisic acid molecule shows whole-molecule disorder over two sets of sites in a 0.809(2):0.191(2) ratio. In the crystal, extensive hydrogen bonding between the components forms layers propagating in theabplane.

  6. Crystal structure of a 2:1 piroxicam–gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules

    Directory of Open Access Journals (Sweden)

    Elizabeth M. Horstman

    2016-12-01

    Full Text Available A new 2:1 co-crystal of piroxicam and gentisic acid [systematic name: 4-hydroxy-1,1-dioxo-N-(pyridin-2-yl-2H-1λ6,2-benzothiazine-3-carboxamide–2-(4-oxido-1,1-dioxo-2H-1λ6,2-benzothiazine-3-amidopyridin-1-ium–2,5-dihydroxybenzoic acid, 2C15H13N3O4S·C7H6O4] has been synthesized using a microfluidic platform and initially identified using Raman spectroscopy. In the co-crystal, one piroxicam molecule is in its neutral form and an intramolecular O—H...O hydrogen bond is observed. The other piroxicam molecule is zwitterionic (proton transfer from the OH group to the pyridine N atom and two intramolecular N—H...O hydrogen bonds occur. The gentisic acid molecule shows whole-molecule disorder over two sets of sites in a 0.809 (2:0.191 (2 ratio. In the crystal, extensive hydrogen bonding between the components forms layers propagating in the ab plane.

  7. [Features of calcium crystals and calcium components in 54 plant species in salinized habitats of Tianjin].

    Science.gov (United States)

    Xu, Jing-Jing; Ci, Hua-Cong; He, Xing-Dong; Xue, Ping-Ping; Zhao, Xue-Lai; Guo, Jian-Tan; Gao, Yu-Bao

    2012-05-01

    Plant calcium (Ca) is composed of dissociated Ca2+ and easily soluble, slightly soluble, and hard soluble combined Ca salts. The hard soluble Ca salts can often engender Ca crystals. To understand the Ca status in different growth form plants in salinized habitats, 54 plant species were sampled from the salinized habitats in Tianjin, with the Ca crystals examined by microscope and the Ca components determined by sequential fractionation procedure. More Ca crystals were found in 38 of the 54 plant species. In 37 of the 38 plant species, drusy and prismatic Ca oxalate crystals dominated, whereas the cystolith of Ca carbonate crystal only appeared in the leaves of Ficus carica of Moraceae. The statistics according to growth form suggested that deciduous arbors and shrubs had more Ca oxalate crystal, liana had lesser Ca oxalate crystal, and herbs and evergreen arbors had no Ca oxalate crystal. From arbor, shrub, liana to herb, the concentration of HCl-soluble Ca decreased gradually, while that of water soluble Ca was in adverse. The concentration of water soluble Ca in herbs was significantly higher than that in arbors and shrubs. This study showed that in salinized habitats, plant Ca crystals and Ca components differed with plant growth form, and the Ca oxalate in deciduous arbors and shrubs played an important role in withstanding salt stress.

  8. Surface phase separation, dewetting feature size, and crystal morphology in thin films of polystyrene/poly(ε-caprolactone) blend.

    Science.gov (United States)

    Ma, Meng; He, Zhoukun; Li, Yuhan; Chen, Feng; Wang, Ke; Zhang, Qing; Deng, Hua; Fu, Qiang

    2012-12-01

    Thin films of polystyrene (PS)/poly(ε-caprolactone) (PCL) blends were prepared by spin-coating and characterized by tapping mode force microscopy (AFM). Effects of the relative concentration of PS in polymer solution on the surface phase separation and dewetting feature size of the blend films were systematically studied. Due to the coupling of phase separation, dewetting, and crystallization of the blend films with the evaporation of solvent during spin-coating, different size of PS islands decorated with various PCL crystal structures including spherulite-like, flat-on individual lamellae, and flat-on dendritic crystal were obtained in the blend films by changing the film composition. The average distance of PS islands was shown to increase with the relative concentration of PS in casting solution. For a given ratio of PS/PCL, the feature size of PS appeared to increase linearly with the square of PS concentration while the PCL concentration only determined the crystal morphology of the blend films with no influence on the upper PS domain features. This is explained in terms of vertical phase separation and spinodal dewetting of the PS rich layer from the underlying PCL rich layer, leading to the upper PS dewetting process and the underlying PCL crystalline process to be mutually independent. Copyright © 2012 Elsevier Inc. All rights reserved.

  9. "Their Packaging Has Always Been Like a Power": A Qualitative Study of U.S. Smokers' Perceptions of Cigarette Pack Visual Design Features to Inform Product Regulation.

    Science.gov (United States)

    Lee, Joseph G L; Averett, Paige E; Blanchflower, Tiffany; Landi, Nunzio; Gregory, Kyle R

    2017-10-17

    Cigarette packaging matters to consumer behavior. However, it is less clear which changes to packaging design would be salient for adult smokers. Such information is critically important to regulators in the United States who are charged with reviewing new tobacco products for their impact on population health. In this qualitative study, U.S. adult smokers ( n = 33) participated in six telephone-based focus groups in March 2017. Separate groups were comprised of lesbian, gay, and bisexual (LGB) participants; participants with less than four years of post-secondary education; a mix of LGB and straight participants; and, the general population. All groups were purposely selected for diversity. Open thematic coding identified salient design elements used on cigarette packaging. Smokers articulated design elements' use, meaning, and links with consumer behaviors. Three themes were identified: (1) the power of color, (2) supporting color with other design elements (e.g., logos/images, typography, the pack itself), and (3) the combined product brand experience of multiple design elements. Participants linked design elements to product characteristics and to consumer behavior (e.g., purchase). As the Food and Drug Administration is charged with regulating tobacco products, these findings suggest the importance of considering the cigarette pack part of the characteristics of a product.

  10. The pursuit of perfect packing

    CERN Document Server

    Weaire, Denis

    2000-01-01

    In 1998 Thomas Hales dramatically announced the solution of a problem that has long teased eminent mathematicians: what is the densest possible arrangement of identical spheres? The Pursuit of Perfect Packing recounts the story of this problem and many others that have to do with packing things together. The examples are taken from mathematics, physics, biology, and engineering, including the arrangement of soap bubbles in foam, atoms in a crystal, the architecture of the bee''s honeycomb, and the structure of the Giant''s Causeway. Using an informal style and with key references, the book also includes brief accounts of the lives of many of the scientists who devoted themselves to problems of packing over many centuries, together with wry comments on their efforts. It is an entertaining introduction to the field for both specialists and the more general public.

  11. Performances and microbial features of an aerobic packed-bed biofilm reactor developed to post-treat an olive mill effluent from an anaerobic GAC reactor

    Directory of Open Access Journals (Sweden)

    Marchetti Leonardo

    2006-04-01

    Full Text Available Abstract Background Olive mill wastewater (OMW is the aqueous effluent of olive oil producing processes. Given its high COD and content of phenols, it has to be decontaminated before being discharged. Anaerobic digestion is one of the most promising treatment process for such an effluent, as it combines high decontamination efficiency with methane production. The large scale anaerobic digestion of OMWs is normally conducted in dispersed-growth reactors, where however are generally achieved unsatisfactory COD removal and methane production yields. The possibility of intensifying the performance of the process using a packed bed biofilm reactor, as anaerobic treatment alternative, was demonstrated. Even in this case, however, a post-treatment step is required to further reduce the COD. In this work, a biological post-treatment, consisting of an aerobic biological "Manville" silica bead-packed bed aerobic reactor, was developed, tested for its ability to complete COD removal from the anaerobic digestion effluents, and characterized biologically through molecular tools. Results The aerobic post-treatment was assessed through a 2 month-continuous feeding with the digested effluent at 50.42 and 2.04 gl-1day-1 of COD and phenol loading rates, respectively. It was found to be a stable process, able to remove 24 and 39% of such organic loads, respectively, and to account for 1/4 of the overall decontamination efficiency displayed by the anaerobic-aerobic integrated system when fed with an amended OMW at 31.74 and 1.70 gl-1day-1 of COD and phenol loading rates, respectively. Analysis of 16S rRNA gene sequences of biomass samples from the aerobic reactor biofilm revealed that it was colonized by Rhodobacterales, Bacteroidales, Pseudomonadales, Enterobacteriales, Rhodocyclales and genera incertae sedis TM7. Some taxons occurring in the influent were not detected in the biofilm, whereas others, such as Paracoccus, Pseudomonas, Acinetobacter and Enterobacter

  12. Depositional features and stratigraphic sections in granitic plutons: implications for the emplacement and crystallization of granitic magma

    Science.gov (United States)

    Wiebe, R. A.; Collins, W. J.

    1998-09-01

    Many granitic plutons contain sheet-like masses of dioritic to gabbroic rocks or swarms of mafic to intermediate enclaves which represent the input of higher temperature, more mafic magma during crystallization of the granitic plutons. Small-scale structures associated with these bodies (e.g. load-cast and compaction features, silicic pipes extending from granitic layers into adjacent gabbroic sheets) indicate that the sheets and enclave swarms were deposited on a floor of the magma chamber (on granitic crystal mush and beneath crystal-poor magma) while the mafic magma was incompletely crystallized. These structures indicate 'way up', typically toward the interior of the intrusions, and appear to indicate that packages of mafic sheets and enclave concentrations in these plutons are a record of sequential deposition. Hence, these plutons preserve a stratigraphic history of events involved in the construction (filling, replenishment) and crystallization of the magma chamber. The distinctive features of these depositional portions of plutons allow them to be distinguished from sheeted intrusions, which usually preserve mutual intrusive contacts and 'dike-sill' relations of different magma types. The considerable thickness of material that can be interpreted as depositional, and the evidence for replenishment, suggest that magma chamber volumes at any one time were probably much less than the final size of the pluton. Thus, magma chambers may be constructed much more slowly than presently envisaged. The present steep attitudes of these structures in many plutons may have developed gradually as the floor of the chamber (along with the underlying solidified granite and country rock) sank during continuing episodes of magma chamber replenishment. These internal magmatic structures support recent suggestions that the room problem for granites could be largely accommodated by downward movement of country rock beneath the magma chamber.

  13. Features of structure formation in the low modulus quasi-single crystal from Zr-25%Nb alloy at cold rolling

    Science.gov (United States)

    Isaenkova, M.; Perlovich, Yu.; Fesenko, V.; Babich, Y.; Zaripova, M.; Krapivka, N.

    2018-05-01

    The paper presents the results of investigation of the regularities of the structure and texture formation during rolling of single crystals of Zr-25%Nb alloy differing in their initial orientations relative to the external principal directions in the rolled plate: normal (ND) and rolling directions (RD). The features of rolled single crystals with initial orientations of planes {001}, {011} or {111} parallel to the rolling plane and different crystallographic directions along RD are considered. A comparison of the peculiarities of plastic deformation in a polycrystalline alloy of the same composition is made. For the samples studied, a decrease in the lattice parameter of the β-phase has been recorded, the minimum of the parameter being observed for different degrees of deformation, varying from 20 to 50%. Observed decrease in the unit cell parameter can be connected with the precipitation of the α(α')-Zr phase from the deformed nonequilibrium β-phase of the Zr-25%Nb alloy, i.e. change in the composition of the solid solution. Distributions of the increase in the dimensions of the deformed single crystal along RD and the transverse direction (TD) with its deformation up to 30% in thickness, which indicate the anisotropy of the plasticity of single crystals during their rolling, are constructed on stereographic projection. It is shown, that the deformation of single crystals occurs practically without increasing of their dimensions in the direction with a total thickness deformation of up to 30%. Direction is characterized by maximum hardening (microhardness) with indentation along it, which causes low plasticity of deformed and annealed foils from Zr-25%Nb alloy at the stretching along and across RD, that is connected with the features of their crystallographic texture.

  14. A triclinic crystal structure of the carboxy-terminal domain of HIV-1 capsid protein with four molecules in the asymmetric unit reveals a novel packing interface

    International Nuclear Information System (INIS)

    Lampel, Ayala; Yaniv, Oren; Berger, Or; Bacharach, Eran; Gazit, Ehud; Frolow, Felix

    2013-01-01

    The triclinic structure of the HIV-1 capsid protein contains four molecules in the asymmetric unit that form a novel packing interface that could conceivably resemble an intermediate structure that is involved in the early steps of HIV-1 assembly. The Gag precursor is the major structural protein of the virion of human immunodeficiency virus-1 (HIV-1). Capsid protein (CA), a cleavage product of Gag, plays an essential role in virus assembly both in Gag-precursor multimerization and in capsid core formation. The carboxy-terminal domain (CTD) of CA contains 20 residues that are highly conserved across retroviruses and constitute the major homology region (MHR). Genetic evidence implies a role for the MHR in interactions between Gag precursors during the assembly of the virus, but the structural basis for this role remains elusive. This paper describes a novel triclinic structure of the HIV-1 CA CTD at 1.6 Å resolution with two canonical dimers of CA CTD in the asymmetric unit. The canonical dimers form a newly identified packing interface where interactions of four conserved MHR residues take place. This is the first structural indication that these MHR residues participate in the putative CTD–CTD interactions. These findings suggest that the molecules forming this novel interface resemble an intermediate structure that participates in the early steps of HIV-1 assembly. This interface may therefore provide a novel target for antiviral drugs

  15. Features of light attenuation in crystals under violation of the Bouguer law

    International Nuclear Information System (INIS)

    Kolesnikov, A. I.; Kaplunov, I. A.; Talyzin, I. V.; Tret'yakov, S. A.; Gritsunova, O. V.; Vorontsova, E. Yu.

    2008-01-01

    A computer simulation and measurements of the light transmittance of germanium and paratellurite crystals of different thickness were used to show that, at scattering probabilities of photons comparable to their absorption probabilities, the standard methods for calculating light extinction coefficients on the basis of the Bouguer law lead to rough errors in estimation of the optical quality of a material.

  16. Recent developments in crystal calorimeters (featuring the CMS PbWO4 electromagnetic calorimeter)

    International Nuclear Information System (INIS)

    Gascon-Shotkin, S.

    2003-01-01

    In the mass range of 110-150 GeV the favored process for Higgs boson detection via p-p collisions is via its decay into two photons, which demands a very high-resolution electromagnetic calorimeter. This physics goal plus the Large Hadron Calorimeter (LHC)-imposed design constraints of 25ns bunch spacing and a hostile radiation environment have led the Compact Muon Solenoid (CMS) collaboration to the choice of lead tungstate (PbWO 4 ) crystals. These factors plus the presence of a 4T magnetic field and the relatively low room-temperature scintillation photon yield of PbWO 4 make photo detection a real challenge, which CMS has met via the choice of devices providing gain amplification: Avalanche photodiodes (APD) in the central barrel region and vacuum phototriodes (VPT) in the forward and backward endcap regions. In the past year the CMS electromagnetic calorimeter has entered the construction phase. We review progress in the areas of crystals, barrel and endcap photo detection devices, plans for detector calibration as well as the status of assembly and quality control. We also invoke relevant developments in other crystal calorimeters currently in operation or under development. Crystal calorimeters remain the medium of choice for precision energy and position measurements in high energy physics

  17. crystal

    Science.gov (United States)

    Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

    2014-07-01

    A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

  18. Specific features of the temperature dependence of the exciton absorption integral in CdS crystals

    International Nuclear Information System (INIS)

    Novikov, A.B.; Solov'ev, L.E.; Talalaev, V.G.

    1986-01-01

    Cadmium sulfide crystals 0.4-2 μm thick in the 4.2-120 K temperature range are investigated experimentally. The shape of the first exciton absorption line in CdS and dependence of integral exciton absorption factor (IEAF) on the quenching constant j are calculated. Rapid growth of the absorption factor in the maximum of the absorption line and decrease of halfwidth of the factor are shown to take place with j increase. The calculation has disclosed that the Bouguer law is observed excluding negligible IEAF oscillations at variation of crystal thickness. Non-monotonous temperature dependence of IEAF is disclosed in some investigated samples; it, obviously, testifies to non-monotonous temperature dependence of j. Depolarization of the absorption line of high-energy exciton states with n=2 and n=3 is discovered in some samples for the first time

  19. Specific features of doping with antimony during the ion-beam crystallization of silicon

    Energy Technology Data Exchange (ETDEWEB)

    Pashchenko, A. S., E-mail: as.pashchenko@gmail.com; Chebotarev, S. N.; Lunin, L. S. [Russian Academy of Sciences, Southern Scientific Center (Russian Federation); Irkha, V. A. [Special Engineering and Technology Department “Inversiya” Ltd. (Russian Federation)

    2016-04-15

    A method of doping during the growth of thin films by ion-beam crystallization is proposed. By the example of Si and Sb, the possibility of controllably doping semiconductors during the ion-beam crystallization process is shown. A calibrated temperature dependence of the antimony vapor flow rate in the range from 150 to 400°C is obtained. It is established that, an increase in the evaporator temperature above 200°C brings about the accumulation of impurities in the layer growth direction. Silicon layers doped with antimony to a concentration of 10{sup 18} cm{sup –3} are grown. It is shown that, as the evaporator temperature is increased, the efficiency of the activation of antimony in silicon nonlinearly decreases from ~10{sup 0} to ~10{sup –3}.

  20. Electrical properties and features of the crystallization behaviour and the phase morphology of polyethylene blends

    International Nuclear Information System (INIS)

    Kolesov, I.S.; Radusch, H.-J.; Kolesov, S.N.

    1999-01-01

    It was discovered that polyethylene blends show a typical concentration dependence of the specific electrical resistance and the electrical strength measured by the surge voltage method. The concentration dependencies show two local maxima at definite blend compositions (ω LDPE = 0,2 to 0,4 and 0,7 to 0,8). The results of investigation of the melt and crystallization behavior as well as of the supermolecular structure of these blends point out that the changes caused by mixing in topology and packaging density of the inter-phases between the phases and crystallites have an influence on the electrical properties of the polyethylene blends in correspondence to the composition. The changed structure-property relationships are caused essentially by a possible co-crystallization of the components and by the interactions at separate seeds formation. (orig.)

  1. Thermoluminescence kinetic features of Lithium Iodide (LiI) single crystal grown by vertical Bridgman technique

    Science.gov (United States)

    Daniel, D. Joseph; Kim, H. J.; Kim, Sunghwan; Khan, Sajid

    2017-08-01

    Single crystal of pure Lithium Iodide (LiI) has been grown from melt by using the vertical Bridgman technique. Thermoluminescence (TL) Measurements were carried out at 1 K/s following X-ray irradiation. The TL glow curve consists of a dominant peak at (peak-maximum Tm) 393 K and one low temperature peak of weaker intensity at 343 K. The order of kinetics (b), activation energy (E), and the frequency factor (S) for a prominent TL glow peak observed around 393 K for LiI crystals are reported for the first time. The peak shape analysis of the glow peak indicates the kinetics to be of the first order. The value of E is calculated using various standard methods such as initial rise (IR), whole glow peak (WGP), peak shape (PS), computerized glow curve deconvolution (CGCD) and Variable Heating rate (VHR) methods. An average value of 1.06 eV is obtained in this case. In order to validate the obtained parameters, numerically integrated TL glow curve has been generated using experimentally determined kinetic parameters. The effective atomic number (Zeff) for this material was determined and found to be 52. X-ray induced emission spectra of pure LiI single crystal are studied at room temperature and it is found that the sample exhibit sharp emission at 457 nm and broad emission at 650 nm.

  2. Photorefractive features of non-stoichiometry codoped Hf:Fe:LiNbO3 single crystals

    International Nuclear Information System (INIS)

    Liu, Bo; Li, Chunliang; Bi, Jiancong; Sun, Liang; Xu, Yuheng

    2008-01-01

    Hf(2mol%):Fe(0.05wt%):LiNbO 3 crystals with various [Li]/[Nb] ratios of 0.94, 1.05, 1.2 and 1.38 have been grown. The photorefractive resistant ability increases with the accretion of [Li]/[Nb] ratio. When the ratio of [Li]/[Nb] is 1.20 or 1.38, the OH - absorption band shifts to about 3477cm -1 . The mechanisms of the photorefractive resistant ability increase and the absorption band shift have been discussed. The exponential gain coefficient (Γ) of the crystals was measured with two-beam coupling method and the effective charge carrier concentration (N eff ) was calculated. The results show that Γ and N eff increase with the accretion of [Li]/[Nb] ratio. The temperature effect of codoped Hf:Fe:LiNbO 3 crystals was also studied, it was found that the exponential gain coefficient increase dramatically at about 55 C, 70 C and 110 C, this is due to the inner electric field which is resulted from structure phase change. (copyright 2007 WILEY -VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Random close packing in protein cores

    OpenAIRE

    Gaines, Jennifer C.; Smith, W. Wendell; Regan, Lynne; O'Hern, Corey S.

    2015-01-01

    Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions $\\phi \\approx 0.75$, a value that is similar to close packing equal-sized spheres. A limitation of these analyses was the use of `extended atom' models, rather than the more physically accurate `explicit hydrogen' model. The validity of using the explicit hydrogen model is proved by its ability to predict the side chain dihedral angle distributions obs...

  4. Switching features of GMO single crystals by contrary motion of pair planar domain boundaries

    International Nuclear Information System (INIS)

    Alekseev, A.N.

    2003-01-01

    Gadolinium molybdate single crystal specimens in the form of square plates 1.2 mm thick, which provide similar conditions of nucleation of domains with differently oriented planar domain boundaries (PDB), are used to study processes of total change-over of orientation states by compressing mechanical action applied alternately to one of two pairs of opposite end faces of the specimen. It is revealed that successive acts of such change-over are always carried out by PDB pairs of alternating mutually orthogonal orientation. A closing stage for every successive change-over is realized through a collapse of either wedge-like or lenticular domain [ru

  5. Crystal structure of calcioburbankite and the characteristic features of the burbankite structure type

    International Nuclear Information System (INIS)

    Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Kabalov, Yu.K.; Subbotin, V.V.

    2001-01-01

    The crystal structure of calcioburbankite (Na,Ca) 3 (Ca,RE,Sr,Ba) 3 (CO 3 ) 5 found in carbonatites from Vuoriyarvi (North Kareliya) was solved by the Rietveld method. The experimental data were collected on an ADP-2 diffractometer (λCuK α radiation; Ni filter; 16.00 deg. 1 + α 2 ) reflections was 455). All the calculations were performed within the sp. gr. P6 3 mc; a = 10.4974(1) A, c = 6.4309(1) A, V = 613.72(1) A 3 ; R wp = 2.49%. The structure was refined with the use of the anisotropic thermal parameters for the (Na,Ca) and (Sr,Ba,Ce) cations. The comparison of the crystal structures of all of the known hexagonal representatives of the burbankite family demonstrates that the burbankite structure type (sp. gr. P6 3 mc) is stable, irrespectively of the occupancy of the ten-vertex polyhedra predominantly with Ca, Sr, or Ba cations and the occupancies of the positions in the eight-vertex polyhedra

  6. Study of 3-D stress development in parent and twin pairs of a hexagonal close-packed polycrystal: Part II – crystal plasticity finite element modeling

    International Nuclear Information System (INIS)

    Abdolvand, Hamidreza; Majkut, Marta; Oddershede, Jette; Wright, Jonathan P.; Daymond, Mark R.

    2015-01-01

    Stress heterogeneity within each individual grain of polycrystalline Zircaloy-2 is studied using a crystal plasticity finite element (CPFE) model. For this purpose, the weighted Voronoi tessellation method is used to construct 3D geometries of more than 2600 grains based on their center-of-mass positions and volumes as measured by three-dimensional X-ray diffraction (3DXRD) microscopy. The constructed microstructure is meshed with different element densities and for different numbers of grains. Then a selected group of twin and parent pairs are studied. It is shown that the measured average stress for each grain from the 3DXRD experiment is within the stress variation zone of the grain modeled in the CPFE simulation. Also, the CPFE average stress calculation for each grain is in good agreement with the measured average stress values. It is shown that upon considering the stress variations within each grain, stresses in the parent and twin are quite different if they are plotted in the global coordinate system. However, if the stress tensor is rotated into the local coordinate system of the twin habit plane, all the stress components averaged over the presented population are close, except for the shear acting on the twin plane and the transverse stress. This result is significant as it provides information needed to model such parent-twin interactions in crystal plasticity codes

  7. Study of 3-D stress development in parent and twin pairs of a hexagonal close-packed polycrystal: Part II - Crystal plasticity finite element modeling

    DEFF Research Database (Denmark)

    Abdolvand, Hamidreza; Majkut, Marta; Oddershede, Jette

    2015-01-01

    for each grain from the 3DXRD experiment is within the stress variation zone of the grain modeled in the CPFE simulation. Also, the CPFE average stress calculation for each grain is in good agreement with the measured average stress values. It is shown that upon considering the stress variations within......Stress heterogeneity within each individual grain of polycrystalline Zircaloy-2 is studied using a crystal plasticity finite element (CPFE) model. For this purpose, the weighted Voronoi tessellation method is used to construct 3D geometries of more than 2600 grains based on their center......-of-mass positions and volumes as measured by three-dimensional X-ray diffraction (3DXRD) microscopy. The constructed microstructure is meshed with different element densities and for different numbers of grains. Then a selected group of twin and parent pairs are studied. It is shown that the measured average stress...

  8. Magnetic feature and near-infrared absorption of a [Pt(mnt)2]-based H-bond supramolecular crystal

    International Nuclear Information System (INIS)

    Li, Cui-Ping; Nie, Li; Pei, Wen-Bo; Li, Li; Tian, Zheng-Fang; Liu, Jian-Lan; Gao, Xu-Sheng; Ren, Xiao-Ming

    2016-01-01

    A new salt [H 2 DABCO][Pt(mnt) 2 ] 2 (1) (mnt 2- =maleonitriledithiolate and H 2 DABCO 2+ is diprotonated 1,4-diazabicyclo[2.2.2]octane) has been synthesized; its crystal structure, magnetic and near-IR absorption properties have been investigated. Two different [Pt(mnt) 2 ] - anions form the strong π-dimers, labeled as Pt(1)-dimer and Pt(2)-dimer, with quite shorter Pt…Pt and S…S distances and molecular plane-to-plane distance (<3.5 Å) within a dimer. The [Pt(mnt) 2 ] 2 2- π-dimers are connected through the cations in the strong H-bond manner to form three-dimensional H-bond supramolecular crystal. The salt shows weak paramagnetism in 1.99–300 K and this is due to the existence of strong antiferromagnetic coupling within a π-dimer. In addition, a small thermal hysteresis loop is observed at ca. 120 K, indicating that a phase transition probably occurs that is further confirmed by variable-temperature IR spectra. Another fascinating functionality of 1 is the intense near-IR absorption in the region of 750–2500 nm, and this near-IR absorption feature makes it to be a promising optical material. - Graphical abstract: A H-bond supramolecular crystal of [H 2 DABCO][Pt(mnt) 2 ] 2 shows a magnetic phase transition at ca. 120 K with sizable thermal hysteresis loop and intense near-IR absorption in the region of 750–2500 nm.

  9. Common structural features of cholesterol binding sites in crystallized soluble proteins.

    Science.gov (United States)

    Bukiya, Anna N; Dopico, Alejandro M

    2017-06-01

    Cholesterol-protein interactions are essential for the architectural organization of cell membranes and for lipid metabolism. While cholesterol-sensing motifs in transmembrane proteins have been identified, little is known about cholesterol recognition by soluble proteins. We reviewed the structural characteristics of binding sites for cholesterol and cholesterol sulfate from crystallographic structures available in the Protein Data Bank. This analysis unveiled key features of cholesterol-binding sites that are present in either all or the majority of sites: i ) the cholesterol molecule is generally positioned between protein domains that have an organized secondary structure; ii ) the cholesterol hydroxyl/sulfo group is often partnered by Asn, Gln, and/or Tyr, while the hydrophobic part of cholesterol interacts with Leu, Ile, Val, and/or Phe; iii ) cholesterol hydrogen-bonding partners are often found on α-helices, while amino acids that interact with cholesterol's hydrophobic core have a slight preference for β-strands and secondary structure-lacking protein areas; iv ) the steroid's C21 and C26 constitute the "hot spots" most often seen for steroid-protein hydrophobic interactions; v ) common "cold spots" are C8-C10, C13, and C17, at which contacts with the proteins were not detected. Several common features we identified for soluble protein-steroid interaction appear evolutionarily conserved. Copyright © 2017 by the American Society for Biochemistry and Molecular Biology, Inc.

  10. The adsorption features between insecticidal crystal protein and nano-Mg(OH)2.

    Science.gov (United States)

    Pan, Xiaohong; Xu, Zhangyan; Zheng, Yilin; Huang, Tengzhou; Li, Lan; Chen, Zhi; Rao, Wenhua; Chen, Saili; Hong, Xianxian; Guan, Xiong

    2017-12-01

    Nano-Mg(OH) 2 , with low biological toxicity, is an ideal nano-carrier for insecticidal protein to improve the bioactivity. In this work, the adsorption features of insecticidal protein by nano-Mg(OH) 2 have been studied. The adsorption capacity could reach as high as 136 mg g -1 , and the adsorption isotherm had been fitted with Langmuir and Freundlich models. Moreover, the adsorption kinetics followed a pseudo-first or -second order rate model, and the adsorption was spontaneous and an exothermic process. However, high temperatures are not suitable for adsorption, which implies that the temperature would be a critical factor during the adsorption process. In addition, FT-IR confirmed that the protein was adsorbed on the nano-Mg(OH) 2 , zeta potential analysis suggested that insecticidal protein was loaded onto the nano-Mg(OH) 2 not by electrostatic adsorption but maybe by intermolecular forces, and circular dichroism spectroscopy of Cry11Aa protein before and after loading with nano-Mg(OH) 2 was changed. The study applied the adsorption information between Cry11Aa and nano-Mg(OH) 2 , which would be useful in the practical application of nano-Mg(OH) 2 as a nano-carrier.

  11. Dynamic crystallization of a eucrite basalt. [achondrite textural features produced by superheating and differing cooling rates

    Science.gov (United States)

    Walker, D.; Powell, M. A.; Hays, J. F.; Lofgren, G. E.

    1978-01-01

    The textural features produced in Stannern, a non-porpyritic representative of the eucrite basaltic achondrite class of meteorite, at differing cooling rates and various degrees of initial superheating were studied. Textures produced from mildly superheated melts were found to be fasciculate rather than porphyritic as the result of the cosaturated bulk chemistry of Stannern. The qualitative type of texture apparently depends mainly on the degree of initial superheating, whereas cooling rate exerts a strong influence on the coarseness of texture. Increasing the degree of superheating produces textures from intergranular/subophitic to fasciculate/porphyritic. With initial superheating to 1200 deg C the transition to quasi-porphyritic is controlled by cooling rate, but the development of phenocrysts is merely an overprint on the fasciculate background texture of the groundmass. The suppression of fasciculate texture is completed by a decrease of the degree of initial superheating below the plagioclast entry and suppression of quasi-porphyritic texture is completed by decrease of the degree of initial superheating below pyroxene entry; these qualitative changes do not seem to be produced by changes of cooling rate. A grain size/cooling rate dependence has been used to deduce the cooling rate of fasciculate-textured Stannern clasts (10.1 to 100 deg C/hr).

  12. Tunable random packings

    International Nuclear Information System (INIS)

    Lumay, G; Vandewalle, N

    2007-01-01

    We present an experimental protocol that allows one to tune the packing fraction η of a random pile of ferromagnetic spheres from a value close to the lower limit of random loose packing η RLP ≅0.56 to the upper limit of random close packing η RCP ≅0.64. This broad range of packing fraction values is obtained under normal gravity in air, by adjusting a magnetic cohesion between the grains during the formation of the pile. Attractive and repulsive magnetic interactions are found to affect stongly the internal structure and the stability of sphere packing. After the formation of the pile, the induced cohesion is decreased continuously along a linear decreasing ramp. The controlled collapse of the pile is found to generate various and reproducible values of the random packing fraction η

  13. Packing Degenerate Graphs Greedily

    Czech Academy of Sciences Publication Activity Database

    Allen, P.; Böttcher, J.; Hladký, J.; Piguet, Diana

    2017-01-01

    Roč. 61, August (2017), s. 45-51 ISSN 1571-0653 R&D Projects: GA ČR GJ16-07822Y Institutional support: RVO:67985807 Keywords : tree packing conjecture * graph packing * graph processes Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics

  14. Packing force data correlations

    International Nuclear Information System (INIS)

    Heiman, S.M.

    1994-01-01

    One of the issues facing valve maintenance personnel today deals with an appropriate methodology for installing and setting valve packing that will minimize leak rates, yet ensure functionality of the the valve under all anticipated operating conditions. Several variables can affect a valve packing's ability to seal, such as packing bolt torque, stem finish, and lubrication. Stem frictional force can be an excellent overall indicator of some of the underlying conditions that affect the sealing characteristics of the packing and the best parameter to use when adjusting the packing. This paper addresses stem friction forces, analytically derives the equations related to these forces, presents a methodology for measuring these forces on valve stems, and attempts to correlate the data directly to the underlying variables

  15. Optimized packings with applications

    CERN Document Server

    Pintér, János

    2015-01-01

    This volume presents a selection of case studies that address a substantial range of optimized object packings (OOP) and their applications. The contributing authors are well-recognized researchers and practitioners. The mathematical modelling and numerical solution aspects of each application case study are presented in sufficient detail. A broad range of OOP problems are discussed: these include various specific and non-standard container loading and object packing problems, as well as the stowing of hazardous and other materials on container ships, data centre resource management, automotive engineering design, space station logistic support, cutting and packing problems with placement constraints, the optimal design of LED street lighting, robust sensor deployment strategies, spatial scheduling problems, and graph coloring models and metaheuristics for packing applications. Novel points of view related to model development and to computational nonlinear, global, mixed integer optimization and heuristic st...

  16. Cell packing structures

    KAUST Repository

    Pottmann, Helmut; Jiang, Caigui; Hö binger, Mathias; Wang, Jun; Bompas, Philippe; Wallner, Johannes

    2015-01-01

    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

  17. Shelving 6 pack crisps

    OpenAIRE

    Garriga Torrecillas, Núria; Otrubova, Natalie; Worm, Robert; Larroque, Thibaut

    2017-01-01

    6-Pack crisps are one of the main products sold by PepsiCo using the standard shelf storage options offered by Tesco PLC. While presenting specific packaging involves a multitude of variables. This report focusses on cognitive recognition, brand confusion and product attractiveness. PepsiCo asked the research team to investigate innovative ways of presenting the crisp 6-pack variant on instore displays. research shows that attraction is crucial in the form of expected rewards. The combination...

  18. Random close packing in protein cores.

    Science.gov (United States)

    Gaines, Jennifer C; Smith, W Wendell; Regan, Lynne; O'Hern, Corey S

    2016-03-01

    Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ ≈ 0.75, a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ ≈ 0.56, which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.

  19. Analyses of significant features of L-Prolinium Picrate single crystal: An excellent material for non linear optical applications

    Energy Technology Data Exchange (ETDEWEB)

    Thukral, Kanika [Academy of Scientific and Innovative Research, CSIR- National Physical Laboratory, New Delhi, 110012 (India); CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Vijayan, N., E-mail: nvijayan@nplindia.org [CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Vij, Mahak [CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Nagaraja, C.M. [Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, 140001, Punjab (India); Jayaramakrishnan, V. [Centro De Investigations En Optica, Loma del Bosque 115, Colonia Lomas del Campestre, León, Guanajuato, Código Postal, 37150 (Mexico); Jayalakshmy, M.S. [International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala, 686560 (India); Kant, Rajni [Department of Physics and Electronics, University of Jammu, Jammu Tawi, 180006 (India)

    2017-06-15

    Today the fundamental aspect of the researchers is to explore maximum physical properties of the material for device fabrication. In the present article, single crystal X-ray diffraction has been carried out to verify the formation of the synthesized compound. In addition to that, powder X-ray diffraction has been performed to obtain diffraction pattern of L-Prolinium Picrate single crystal. The strain present inside the single crystal was measured using Hall-Williamson equation from PXRD measurements. The dark current and photon current was obtained from photoconductivity technique whose plot depicted that the sample was negative photoconducting material. Optical homogeneity of the single crystal was analyzed using birefringence technique. Its resistance towards Nd: YAG laser was scrutinized for L-Prolinium Picrate single crystal by applying 1 pulse per second. Different thermal parameters like thermal conductivity, thermal diffusivity, thermal effusivity and specific heat were computed using photo-pyroelectric technique. Solid state parameters were calculated from Clausius Mossotti relation by taking structural information of the title compound. Also, optical parameters like refractive index, reflectance etc were calculated through UV–Vis–NIR analysis. - Highlights: • An optically transparent L-Prolinium Picrate single crystal was harvested from slow evaporation solution growth technique. • The compound shows negative photoconducting nature. • Its optical homogeneity was analyzed using birefringence. • Single shot of laser was applied to sample to measure laser damage threshold value. • The thermal parameters were computed from Photopyroelectric technique.

  20. Battery Pack Thermal Design

    Energy Technology Data Exchange (ETDEWEB)

    Pesaran, Ahmad

    2016-06-14

    This presentation describes the thermal design of battery packs at the National Renewable Energy Laboratory. A battery thermal management system essential for xEVs for both normal operation during daily driving (achieving life and performance) and off-normal operation during abuse conditions (achieving safety). The battery thermal management system needs to be optimized with the right tools for the lowest cost. Experimental tools such as NREL's isothermal battery calorimeter, thermal imaging, and heat transfer setups are needed. Thermal models and computer-aided engineering tools are useful for robust designs. During abuse conditions, designs should prevent cell-to-cell propagation in a module/pack (i.e., keep the fire small and manageable). NREL's battery ISC device can be used for evaluating the robustness of a module/pack to cell-to-cell propagation.

  1. Diffraction symmetry in crystalline, close-packed C60

    International Nuclear Information System (INIS)

    Fleming, R.M.; Siegrist, T.; Marsh, P.M.; Hessen, B.; Kortan, A.R.; Murphy, D.W.; Haddon, R.C.; Tycko, R.; Dabbagh, G.; Mujsce, A.M.

    1991-01-01

    The authors have grown crystals of the carbon structure C 60 by sublimation. In contrast to solution-grown crystals, the sublimed crystals have long range order with no evidence of solvent inclusions. Sublimed C 60 forms three dimensional, faceted crystals with a close-packed, face centered cubic unit cell. The authors have refined a crystal structure using the soccer ball model of the C 60 molecule. The results from this paper indicate that the C 60 molecule has the expected spherical shape, however the data are not sufficiently accurate to unambiguously determine atomic positions

  2. Economics Action Pack.

    Science.gov (United States)

    McDonald's Corp., Oak Brook, IL.

    One of five McDonald's Action Packs, this learning package introduces intermediate grade students to basic economic concepts. The fourteen activities include the topics of consumption (4 activities), production (5), the market system (3), a pretest, and a posttest. Specific titles under consumption include The Wonderful Treasure Tree (introduction…

  3. Optimal Packed String Matching

    DEFF Research Database (Denmark)

    Ben-Kiki, Oren; Bille, Philip; Breslauer, Dany

    2011-01-01

    In the packed string matching problem, each machine word accommodates – characters, thus an n-character text occupies n/– memory words. We extend the Crochemore-Perrin constantspace O(n)-time string matching algorithm to run in optimal O(n/–) time and even in real-time, achieving a factor – speed...

  4. Influence of the reactor irradiation on the radiation-optical features of the PbWO4:La scintillation crystals

    International Nuclear Information System (INIS)

    Ashurov, M.Kh.; Ismoilov, Sh.Kh.; Khatamov, K.; Gasanov, Eh.M.; Rustamov, I.R.

    2001-01-01

    Within an International LHC project the lead tungstates (PbWO 4 ) scintillation crystals radiation stability activated by La ions was carried out. In the 400-700 nm length range the transmission spectra were measured on the different parts of the standard PbWO 4 :La crystals. The spectra were measured before and after irradiation by both fast neutrons and γ-radiation. On the base of obtained data the contribution of γ-quanta and neutrons in the radiation-induced losses value of optical radiation in the active media of the electromagnetic colorimeter was estimated

  5. Helium crystals

    International Nuclear Information System (INIS)

    Lipson, S.G.

    1987-01-01

    Hexagonal close-packed helium crystals in equilibrium with superfluid have been found to be one of the few systems in which an anisotropic solid comes into true thermodynamic equilibrium with its melt. The discovery of roughening transitions at the liquid-solid interface have shown this system to be ideal for the study of the statistical mechanics of interface structures. We describe the effect of roughening on the shape and growth of macroscopic crystals from both the theoretical and experimental points of view. (author)

  6. PredPPCrys: accurate prediction of sequence cloning, protein production, purification and crystallization propensity from protein sequences using multi-step heterogeneous feature fusion and selection.

    Directory of Open Access Journals (Sweden)

    Huilin Wang

    Full Text Available X-ray crystallography is the primary approach to solve the three-dimensional structure of a protein. However, a major bottleneck of this method is the failure of multi-step experimental procedures to yield diffraction-quality crystals, including sequence cloning, protein material production, purification, crystallization and ultimately, structural determination. Accordingly, prediction of the propensity of a protein to successfully undergo these experimental procedures based on the protein sequence may help narrow down laborious experimental efforts and facilitate target selection. A number of bioinformatics methods based on protein sequence information have been developed for this purpose. However, our knowledge on the important determinants of propensity for a protein sequence to produce high diffraction-quality crystals remains largely incomplete. In practice, most of the existing methods display poorer performance when evaluated on larger and updated datasets. To address this problem, we constructed an up-to-date dataset as the benchmark, and subsequently developed a new approach termed 'PredPPCrys' using the support vector machine (SVM. Using a comprehensive set of multifaceted sequence-derived features in combination with a novel multi-step feature selection strategy, we identified and characterized the relative importance and contribution of each feature type to the prediction performance of five individual experimental steps required for successful crystallization. The resulting optimal candidate features were used as inputs to build the first-level SVM predictor (PredPPCrys I. Next, prediction outputs of PredPPCrys I were used as the input to build second-level SVM classifiers (PredPPCrys II, which led to significantly enhanced prediction performance. Benchmarking experiments indicated that our PredPPCrys method outperforms most existing procedures on both up-to-date and previous datasets. In addition, the predicted crystallization

  7. Crystal structure and nanotopographical features on the surface of heat-treated and anodized porous titanium biomaterials produced using selective laser melting

    Energy Technology Data Exchange (ETDEWEB)

    Amin Yavari, S., E-mail: s.aminyavari@tudelft.nl [Faculty of Mechanical, Maritime, and Materials Engineering, Delft University of Technology (TU Delft), Mekelweg 2, 2628 CD Delft (Netherlands); FT Innovations BV, Braamsluiper 1, 5831 PW Boxmeer (Netherlands); Wauthle, R. [KU Leuven, Department of Mechanical Engineering, Section Production Engineering, Machine Design and Automation (PMA), Celestijnenlaan 300B, 3001 Leuven (Belgium); LayerWise NV, Kapeldreef 60, Leuven (Belgium); Böttger, A.J. [Faculty of Mechanical, Maritime, and Materials Engineering, Delft University of Technology (TU Delft), Mekelweg 2, 2628 CD Delft (Netherlands); Schrooten, J. [Department of Metallurgy and Materials Engineering, KU Leuven, Kasteelpark Arenberg 44 PB 2450, 3001 Heverlee (Belgium); Weinans, H. [Faculty of Mechanical, Maritime, and Materials Engineering, Delft University of Technology (TU Delft), Mekelweg 2, 2628 CD Delft (Netherlands); Department of Orthopedics and Department of Rheumatology, UMC Utrecht, Heidelberglaan 100, 3584 CX Utrecht (Netherlands); Zadpoor, A.A. [Faculty of Mechanical, Maritime, and Materials Engineering, Delft University of Technology (TU Delft), Mekelweg 2, 2628 CD Delft (Netherlands)

    2014-01-30

    Porous titanium biomaterials manufactured using additive manufacturing techniques such as selective laser melting are considered promising materials for orthopedic applications where the biomaterial needs to mimic the properties of bone. Despite their appropriate mechanical properties and the ample pore space they provide for bone ingrowth and osseointegration, porous titanium structures have an intrinsically bioinert surface and need to be subjected to surface bio-functionalizing procedures to enhance their in vivo performance. In this study, we used a specific anodizing process to build a hierarchical oxide layer on the surface of porous titanium structures made by selective laser melting of Ti6Al4V ELI powder. The hierarchical structure included both nanotopographical features (nanotubes) and micro-features (micropits). After anodizing, the biomaterial was heat treated in Argon at different temperatures ranging between 400 and 600 °C for either 1 or 2 h to improve its bioactivity. The effects of applied heat treatment on the crystal structure of TiO{sub 2} nanotubes and the nanotopographical features of the surface were studied using scanning electron microscopy and X-ray diffraction. It was shown that the transition from the initial crystal structure, i.e. anatase, to rutile occurs between 500 and 600 °C and that after 2 h of heat treatment at 600 °C the crystal structure is predominantly rutile. The nanotopographical features of the surface were found to be largely unchanged for heat treatments carried out at 500 °C or below, whereas they were partially or largely disrupted after heat treatment at 600 °C. The possible implications of these findings for the bioactivity of porous titanium structures are discussed.

  8. Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group

    Czech Academy of Sciences Publication Activity Database

    Du, J.; Hua, G.; Beier, Petr; Slawin, A. M. Z.; Woollins, J. D.

    2017-01-01

    Roč. 28, č. 3 (2017), s. 723-733 ISSN 1040-0400 Institutional support: RVO:61388963 Keywords : pentafluorosulfuranyl (SF5) group * aromatic compounds * single crystal X-ray structure * intramolecular interactions * intermolecular interactions Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 1.582, year: 2016

  9. Specific features of slow neutron coherent scattering by crystals with substitution impurities and selection rules for the mass operator of phonons

    International Nuclear Information System (INIS)

    Dzyub, I.P.; Kochmarskij, V.Z.

    1978-01-01

    The specific features of coherent slow-neutron scattering in the neighbourhood of the quasilocal oscillation (QLO) frequency are investigated. By means of the calculation for a simple cubic crystal containing substitutional impurities it is demonstrated that the dispersion curves are discontinuous in the QLO frequency range. This dispersion curve discontinuity is associated with one-phonon peak in the neighbourhood of the QLO frequency. The results of neutron scattering experiments on Crsub(1-x)Wsub(x) and Cusub(1-x)Ausub(x) solutions are then considered from this standpoint. Selection rules for the phonon mass operator are established which allow to determine the symmetry of QLO which contribute to the broadening and shift of one-phonon peaks in the directions of high symmetry, depending on the transfer neutron-momentum orientation with respect to the principal axes of a crystal

  10. Spectral dependence of backscattering coefficient of mixed phase clouds over West Africa measured with two-wavelength Raman polarization lidar: Features attributed to ice-crystals corner reflection

    Science.gov (United States)

    Veselovskii, I.; Goloub, P.; Podvin, T.; Tanre, D.; Ansmann, A.; Korenskiy, M.; Borovoi, A.; Hu, Q.; Whiteman, D. N.

    2017-11-01

    The existing models predict that corner reflection (CR) of laser radiation by simple ice crystals of perfect shape, such as hexagonal columns or plates, can provide a significant contribution to the ice cloud backscattering. However in real clouds the CR effect may be suppressed due to crystal deformation and surface roughness. In contrast to the extinction coefficient, which is spectrally independent, consideration of diffraction associated with CR results in a spectral dependence of the backscattering coefficient. Thus measuring the spectral dependence of the cloud backscattering coefficient, the contribution of CR can be identified. The paper presents the results of profiling of backscattering coefficient (β) and particle depolarization ratio (δ) of ice and mixed-phase clouds over West Africa by means of a two-wavelength polarization Mie-Raman lidar operated at 355 nm and 532 nm during the SHADOW field campaign. The lidar observations were performed at a slant angle of 43 degree off zenith, thus CR from both randomly oriented crystals and oriented plates could be analyzed. For the most of the observations the cloud backscatter color ratio β355/β532 was close to 1.0, and no spectral features that might indicate the presence of CR of randomly oriented crystals were revealed. Still, in two measurement sessions we observed an increase of backscatter color ratio to a value of nearly 1.3 simultaneously with a decrease of the spectral depolarization ratio δ355/δ532 ratio from 1.0 to 0.8 inside the layers containing precipitating ice crystals. We attribute these changes in optical properties to corner reflections by horizontally oriented ice plates.

  11. The Six Pack Model

    DEFF Research Database (Denmark)

    Andersen, Henrik; Ritter, Thomas

    Ever seen a growth strategies fail because it was not connect ed to the firm’s customer base? Or a customer relationship strategy falters just because it was the wrong thing to do with that given customer? This article presents the six pack model, a tool that makes growth profitable and predictable....... Not all customers can and should grow – thus a firm needs to classify its customers in order to implement the right customer strategy....

  12. Nb3Sn single crystals, polycrystals and multifilamentary wires: common and different features in the magnetic response

    International Nuclear Information System (INIS)

    Adesso, M G; Uglietti, D; Fluekiger, R; Polichetti, M; Pace, S

    2006-01-01

    The magnetic response of different Nb 3 Sn samples has been investigated studying the temperature dependence of both the 1st and 3rd harmonics of the AC magnetic susceptibility, in presence of a DC field up to 19 T. In single crystal and in polycrystalline samples, the occurrence of a Peak Effect was observed within DC magnetic fields ranging from 3 T to about 13 T. It corresponds to a transition in the vortex lattice between the Bragg Glass phase and a disordered phase. This transition has been also detected at higher magnetic fields in both the samples, thanks to the 3rd harmonics measurements. In contrast to single crystals and polycrystals, no Peak Effect and no indications about the Bragg/disordered phase transition have been detected in the analysed multifilamentary wires

  13. Peculiar features of thermal emission of GdB4 and GdB6 single crystals

    International Nuclear Information System (INIS)

    Ostrovskij, E.K.; Taran, A.A.; Kovalev, A.V.; Tkachenko, V.F.; Dudnik, E.M.; Matvienko, A.A.

    1990-01-01

    Thermoemission parameters of single crystals (410) GdB 4 and (110) GdB 6 are studied. Work function is calculated by total current. It is stated that work function of GdB 6 within temperature range of 1500-1880 K after 80 h of annealing varies from 2.95 to 3.10 eV practically with the same temperature coefficient as GdB 4 , i.e. 4.1x10 -4 eV/K. It is shown that single crystal gadolinium hexaboride during the high-temperature annealing in the surface region (∼70 mm) is transformed into gadolinium tetraboride. Influence of free air has been first studied on the GdB 4 emissivity which is determined to increase to p=1.3x10 -2 Pa within the range of T=1640-1840 K

  14. Argo packing friction research update

    International Nuclear Information System (INIS)

    VanTassell, D.M.

    1994-01-01

    This paper focuses on the issue of valve packing friction and its affect on the operability of motor- and air-operated valves (MOVs and AOVs). At this time, most nuclear power plants are required to perform postmaintenance testing following a packing adjustment or replacement. In many cases, the friction generated by the packing does not impact the operability window of a valve. However, to date there has not been a concerted effort to substantiate this claim. To quantify the effects of packing friction, it has become necessary to develop a formula to predict the friction effects accurately. This formula provides a much more accurate method of predicting packing friction than previously used factors based strictly on stem diameter. Over the past 5 years, Argo Packing Company has been developing and testing improved graphite packing systems at research facilities, such as AECL Chalk River and Wyle Laboratories. Much of this testing has centered around reducing and predicting friction that is related to packing. In addition, diagnostic testing for Generic Letter 89-10 MOVs and AOVs has created a significant data base. In July 1992 Argo asked several utilities to provide running load data that could be used to quantify packing friction repeatability and predictability. This technical paper provides the basis to predict packing friction, which will improve calculations for thrust requirements for Generic Leter 89-10 and future AOV programs. In addition, having an accurate packing friction formula will improve packing performance when low running loads are identified that would indicate insufficient sealing force

  15. Features of the structural states of KNbO{sub 3} single crystals before and after fast-neutron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Stash, A. I., E-mail: astas@yandex.ru; Ivanov, S. A.; Stefanovich, S. Yu.; Mosunov, A. V.; Boyko, V. M.; Ermakov, V. S.; Korulin, A. V.; Kalyukanov, A. I. [State Scientific Center of the Russian Federation Karpov Institute of Physical Chemistry (Russian Federation)

    2017-01-15

    Neutron irradiation is a unique tool for forming new structural states of ferroelectrics, which cannot be obtained by conventional methods. The inf luence of the irradiation by two doses of fast neutrons (F = 1 × 10{sup 17} and 3 × 10{sup 17} cm{sup –2}) on the structure and properties of KNbO{sub 3} single crystals has been considered for the first time. The developed method for taking into account the experimental correction to the diffuse scattering has been used to analyze the structural changes occurring in KNbO{sub 3} samples at T = 295 K and their correlations with the behavior of dielectric and nonlinear optical characteristics. The irradiation to the aforementioned doses retains the KNbO{sub 3} polar structure, shifting Т{sub Ð}¡ to lower temperatures and significantly affecting only the thermal parameters and microstructure of single crystals. Neutron irradiation with small atomic displacements provides a structure similar to the high-temperature modification of an unirradiated KNbO{sub 3} crystal.

  16. Significant Enhancement of the Chiral Correlation Length in Nematic Liquid Crystals by Gold Nanoparticle Surfaces Featuring Axially Chiral Binaphthyl Ligands.

    Science.gov (United States)

    Mori, Taizo; Sharma, Anshul; Hegmann, Torsten

    2016-01-26

    Chirality is a fundamental scientific concept best described by the absence of mirror symmetry and the inability to superimpose an object onto its mirror image by translation and rotation. Chirality is expressed at almost all molecular levels, from single molecules to supramolecular systems, and present virtually everywhere in nature. Here, to explore how chirality propagates from a chiral nanoscale surface, we study gold nanoparticles functionalized with axially chiral binaphthyl molecules. In particular, we synthesized three enantiomeric pairs of chiral ligand-capped gold nanoparticles differing in size, curvature, and ligand density to tune the chirality transfer from nanoscale solid surfaces to a bulk anisotropic liquid crystal medium. Ultimately, we are examining how far the chirality from a nanoparticle surface reaches into a bulk material. Circular dichroism spectra of the gold nanoparticles decorated with binaphthyl thiols confirmed that the binaphthyl moieties form a cisoid conformation in isotropic organic solvents. In the chiral nematic liquid crystal phase, induced by dispersing the gold nanoparticles into an achiral anisotropic nematic liquid crystal solvent, the binaphthyl moieties on the nanoparticle surface form a transoid conformation as determined by imaging the helical twist direction of the induced cholesteric phase. This suggests that the ligand density on the nanoscale metal surfaces provides a dynamic space to alter and adjust the helicity of binaphthyl derivatives in response to the ordering of the surrounding medium. The helical pitch values of the induced chiral nematic phase were determined, and the helical twisting power (HTP) of the chiral gold nanoparticles calculated to elucidate the chirality transfer efficiency of the binaphthyl ligand capped gold nanoparticles. Remarkably, the HTP increases with increasing diameter of the particles, that is, the efficiency of the chirality transfer of the binaphthyl units bound to the nanoparticle

  17. L-Asparagine crystals with wide gap semiconductor features: optical absorption measurements and density functional theory computations.

    Science.gov (United States)

    Zanatta, G; Gottfried, C; Silva, A M; Caetano, E W S; Sales, F A M; Freire, V N

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p-carboxyl, C 2p-side chain, and C 2p-carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical

  18. L-asparagine crystals with wide gap semiconductor features: Optical absorption measurements and density functional theory computations

    Energy Technology Data Exchange (ETDEWEB)

    Zanatta, G.; Gottfried, C. [Departamento de Bioquímica, Universidade Federal do Rio Grande do Sul, 90035-003 Porto Alegre-RS (Brazil); Silva, A. M. [Universidade Estadual do Piauí, 64260-000 Piripiri-Pi (Brazil); Caetano, E. W. S., E-mail: ewcaetano@gmail.com [Instituto de Educação, Ciência e Tecnologia do Ceará, 60040-531 Fortaleza-CE (Brazil); Sales, F. A. M.; Freire, V. N. [Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, 60455-760 Fortaleza-CE (Brazil)

    2014-03-28

    Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p–carboxyl, C 2p–side chain, and C 2p–carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical

  19. Condensation in Nanoporous Packed Beds.

    Science.gov (United States)

    Ally, Javed; Molla, Shahnawaz; Mostowfi, Farshid

    2016-05-10

    In materials with tiny, nanometer-scale pores, liquid condensation is shifted from the bulk saturation pressure observed at larger scales. This effect is called capillary condensation and can block pores, which has major consequences in hydrocarbon production, as well as in fuel cells, catalysis, and powder adhesion. In this study, high pressure nanofluidic condensation studies are performed using propane and carbon dioxide in a colloidal crystal packed bed. Direct visualization allows the extent of condensation to be observed, as well as inference of the pore geometry from Bragg diffraction. We show experimentally that capillary condensation depends on pore geometry and wettability because these factors determine the shape of the menisci that coalesce when pore filling occurs, contrary to the typical assumption that all pore structures can be modeled as cylindrical and perfectly wetting. We also observe capillary condensation at higher pressures than has been done previously, which is important because many applications involving this phenomenon occur well above atmospheric pressure, and there is little, if any, experimental validation of capillary condensation at such pressures, particularly with direct visualization.

  20. To Pack or Not to Pack? A Randomized Trial of Vaginal Packing After Vaginal Reconstructive Surgery.

    Science.gov (United States)

    Westermann, Lauren B; Crisp, Catrina C; Oakley, Susan H; Mazloomdoost, Donna; Kleeman, Steven D; Benbouajili, Janine M; Ghodsi, Vivian; Pauls, Rachel N

    2016-01-01

    Placement of vaginal packing after pelvic reconstructive surgery is common; however, little evidence exists to support the practice. Furthermore, patients have reported discomfort from the packs. We describe pain and satisfaction in women treated with and without vaginal packing. This institutional review board-approved randomized-controlled trial enrolled patients undergoing vaginal hysterectomy with prolapse repairs. The primary outcome was visual analog scales (VASs) for pain on postoperative day 1. Allocation to "packing" ("P") or "no-packing" ("NP") arms occurred intraoperatively at the end of surgery. Visual analog scales regarding pain and satisfaction were completed early on postoperative day 1 before packing removal. Visual analog scale scores for pain, satisfaction, and bother attributable to packing were recorded before discharge. All packing and perineal pads were weighed to calculate a "postoperative vaginal blood loss." Perioperative data were collected from the hospital record. Our sample size estimation required 74 subjects. Ninety-three women were enrolled. After exclusions, 77 were randomized (P, 37; NP, 40). No differences were found in surgical information, hemoglobin levels, or narcotic use between groups. However, "postoperative vaginal blood loss" was greater in packed subjects (P discharge (P, 35.0 vs NP, 40.0; P = 0.43] were not significantly different between treatment arms. Likewise, VAS scores for satisfaction before removal of packing (P, 81.0 vs NP, 90.0; P = 0.08] and before discharge (P, 90.0 vs NP, 90.5; P = 0.60] were not significantly different. Packed patients noted lower nursing verbal pain scores (P = 0.04) and used less ketorolac (P = 0.01). Bother from packing was low overall. Although there was no difference based on VAS, women receiving vaginal packing had lower nursing documented pain and used less ketorolac than packed women. Vaginal packing may provide benefit and can remain part of the surgical practice.

  1. “Their Packaging Has Always Been Like a Power”: A Qualitative Study of U.S. Smokers’ Perceptions of Cigarette Pack Visual Design Features to Inform Product Regulation

    Science.gov (United States)

    Blanchflower, Tiffany; Landi, Nunzio; Gregory, Kyle R.

    2017-01-01

    Cigarette packaging matters to consumer behavior. However, it is less clear which changes to packaging design would be salient for adult smokers. Such information is critically important to regulators in the United States who are charged with reviewing new tobacco products for their impact on population health. In this qualitative study, U.S. adult smokers (n = 33) participated in six telephone-based focus groups in March 2017. Separate groups were comprised of lesbian, gay, and bisexual (LGB) participants; participants with less than four years of post-secondary education; a mix of LGB and straight participants; and, the general population. All groups were purposely selected for diversity. Open thematic coding identified salient design elements used on cigarette packaging. Smokers articulated design elements’ use, meaning, and links with consumer behaviors. Three themes were identified: (1) the power of color, (2) supporting color with other design elements (e.g., logos/images, typography, the pack itself), and (3) the combined product brand experience of multiple design elements. Participants linked design elements to product characteristics and to consumer behavior (e.g., purchase). As the Food and Drug Administration is charged with regulating tobacco products, these findings suggest the importance of considering the cigarette pack part of the characteristics of a product. PMID:29039769

  2. “Their Packaging Has Always Been Like a Power”: A Qualitative Study of U.S. Smokers’ Perceptions of Cigarette Pack Visual Design Features to Inform Product Regulation

    Directory of Open Access Journals (Sweden)

    Joseph G. L. Lee

    2017-10-01

    Full Text Available Cigarette packaging matters to consumer behavior. However, it is less clear which changes to packaging design would be salient for adult smokers. Such information is critically important to regulators in the United States who are charged with reviewing new tobacco products for their impact on population health. In this qualitative study, U.S. adult smokers (n = 33 participated in six telephone-based focus groups in March 2017. Separate groups were comprised of lesbian, gay, and bisexual (LGB participants; participants with less than four years of post-secondary education; a mix of LGB and straight participants; and, the general population. All groups were purposely selected for diversity. Open thematic coding identified salient design elements used on cigarette packaging. Smokers articulated design elements’ use, meaning, and links with consumer behaviors. Three themes were identified: (1 the power of color, (2 supporting color with other design elements (e.g., logos/images, typography, the pack itself, and (3 the combined product brand experience of multiple design elements. Participants linked design elements to product characteristics and to consumer behavior (e.g., purchase. As the Food and Drug Administration is charged with regulating tobacco products, these findings suggest the importance of considering the cigarette pack part of the characteristics of a product.

  3. Packing C60 in Boron Nitride Nanotubes

    Science.gov (United States)

    Mickelson, W.; Aloni, S.; Han, Wei-Qiang; Cumings, John; Zettl, A.

    2003-04-01

    We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride nanotubes (BNNTs). For small-diameter BNNTs, the wire consists of a linear chain of C60 molecules. With increasing BNNT inner diameter, unusual C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) that are unknown for bulk or thin-film forms of C60. C60 in BNNTs thus presents a model system for studying the properties of dimensionally constrained ``silo'' crystal structures. For the linear-chain case, we have fused the C60 molecules to form a single-walled carbon nanotube inside the insulating BNNT.

  4. Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonatecobalt(II

    Directory of Open Access Journals (Sweden)

    Mouhamadou Birame Diop

    2016-01-01

    Full Text Available The structure of the mononuclear title complex, [{(H3CS2C=NC[triple-bond] N}2CoCl2], consists of a CoII atom coordinated in a distorted tetrahedral manner by two Cl− ligands and the terminal N atoms of two dimethyl N-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515 (su? Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

  5. Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis

    Science.gov (United States)

    Sharma, Raj Pal; Saini, Anju; Kumar, Santosh; Kumar, Jitendra; Sathishkumar, Ranganathan; Venugopalan, Paloth

    2017-01-01

    A new anionic copper(II) complex, (MeImH)2 [Cu(pfbz)4] (1) where, MeImH = 2-methylimidazolium and pfbz = pentafluorobenzoate has been isolated by reacting copper(II) sulfate pentahydrate, pentafluorobenzoic acid and 2-methylimidazole in ethanol: water mixture in 1:2:2 molar ratio. This complex 1 has been characterized by elemental analysis, thermogravimetric analysis, spectroscopic techniques (UV-Vis, FT-IR) and conductance measurements. The complex salt crystallizes in monoclinic crystal system with space group C2/c. Single crystal X-ray structure determination revealed the presence of discrete ions: [Cu(pfbz)4]2- anion and two 2-methylimidazolium cation (C4H7N2)+. The crystal lattice is stabilized by strong hydrogen bonding and F⋯F interactions between cationic-anionic and the anionic-anionic moieties respectively, besides π-π interactions.

  6. 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.

  7. ExactPack Documentation

    Energy Technology Data Exchange (ETDEWEB)

    Singleton, Robert Jr. [Los Alamos National Laboratory; Israel, Daniel M. [Los Alamos National Laboratory; Doebling, Scott William [Los Alamos National Laboratory; Woods, Charles Nathan [Los Alamos National Laboratory; Kaul, Ann [Los Alamos National Laboratory; Walter, John William Jr [Los Alamos National Laboratory; Rogers, Michael Lloyd [Los Alamos National Laboratory

    2016-05-09

    For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returned at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.

  8. Packing Nonspherical Particles: All Shapes Are Not Created Equal

    Science.gov (United States)

    Torquato, Salvatore

    2012-02-01

    Over the past decade there has been increasing interest in the effects of particle shape on the characteristics of dense particle packings, since deviations from sphericity can lead to more realistic models of granular media, nanostructured materials, and tissue architecture. It is clear the that the broken rotational symmetry of a nonspherical particle is a crucial aspect in determining its resulting packing characteristics, but given the infinite variety of possible shapes (ellipsoids, superballs, regular and irregular polyhedra, etc.) it is desirable to formulate packing organizing principles based the particle shape. Such principles are beginning to be elucidated; see Refs. 1 and 2 and references therein. Depending upon whether the particle has central symmetry, inequivalent principle axes, and smooth or flat surfaces, we can describe the nature of its densest packing (which is typically periodic) as well as its disordered jammed states (which may or may not be isostatic). Changing the shape of a particle can dramatically alter its packing attributes. This tunability capability via particle shape could be used to tailor many-particle systems (e.g., colloids and granular media) to have designed crystal, liquid and glassy states. [4pt] [1] S. Torquato and F. H. Stillinger, ``Jammed Hard-Particle Packings: From Kepler to Bernal and Beyond," Rev. Modern Phys. 82, 2633 (2010). [0pt] [2] Y. Jiao and S. Torquato, Communication: ``A Packing of Truncated Tetrahedra That Nearly Fills All of Space and its Melting Properties," J. Chem. Phys. 135, 151101 (2011).

  9. Flooding characteristics of Goodloe packing

    International Nuclear Information System (INIS)

    Begovich, J.M.; Watson, J.S.

    1976-08-01

    Experimental flooding data for the countercurrent flow of air and water in a 7.62-cm-diam glass column filled with Goodloe packing were compared with a correlation reported by the packing manufacturer. Flooding rates observed in this study were as low as one-half those predicted by the correlation. Rearranging the packing by inverting the column and removing some packing segments yielded results similar to the correlation for liquid-to-gas (L/G) mass flow rate ratios greater than 10, but the experimental flooding curve fell significantly below the correlation at lower L/G ratios. When the column was repacked with new packing, the results were essentially the same as those obtained in the inverted column. Thus, it is believed that a carefully packed column is more likely to yield flooding rates similar to those obtained in the new or inverted columns rather than rates predicted by the original correlation

  10. The generic geometry of helices and their close-packed structures

    DEFF Research Database (Denmark)

    Olsen, Kasper; Bohr, Jakob

    2010-01-01

    The formation of helices is an ubiquitous phenomenon for molecular structures whether they are biological, organic, or inorganic, in nature. Helical structures have geometrical constraints analogous to close packing of three-dimensional crystal structures. For helical packing the geometrical cons...

  11. Characterization of metallic surfaces in phosphorous-bronze ordered packings

    International Nuclear Information System (INIS)

    Sandru, Claudia; Titescu, Gh.

    1997-01-01

    Copper and its alloys, particularly the phosphorous bronze, are characterized by a high water wettability as compared with other materials. This feature led to utilization of phosphorous bronze in fabrication of contact elements, a packing type equipping the distillation columns. For heavy water separation by isotopic distillation under vacuum, ordered packings of phosphorous bronze networks were fabricated. The superior performances of these packings are determined by the material and also by the geometrical form and the state of the metallic surface. Thus, a procedure of evaluating the wettability has been developed, based on tests of the network material. The results of the tests constitute a criterion of rating the functional performances of packings, particularly of their efficiencies. Also, investigation techniques of the chemical composition and of the thickness of superficial layer on the packing were developed. It was found that the packing surface presents a layer of about 5-20 μm formed mainly by oxides of copper, tin, and, depending on the packing treatment, of oxides of other elements coming from the treatment agent. The paper presents characterization of phosphorous bronze treated with potassium permanganate, a specific treatment for improving the functional performances of the packings used in the heavy water concentration and re-concentration installations

  12. Packing for food irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Chmielewski, A G [Institute of Nuclear Chemistry and Technology, Warsaw (Poland)

    2006-07-01

    Joint FAO/IAEA/WHO Expert Committee approved the use of radiation treatment of foods. Nowadays food packaging are mostly made of plastics, natural or synthetic, therefore effect of irradiation on these materials is crucial for packing engineering for food irradiation technology. By selecting the right polymer materials for food packaging it can be ensured that the critical elements of material and product performance are not compromised. When packaging materials are in contact with food at the time of irradiation that regulatory approvals sometimes apply. The review of the R-and-D and technical papers regarding material selection, testing and approval is presented in the report. The most information come from the USA where this subject is well elaborated, the International Atomic Energy Agency (IAEA) reports are reviewed as well. The report can be useful for scientists and food irradiation plants operators. (author)

  13. Packing for food irradiation

    International Nuclear Information System (INIS)

    Chmielewski, A.G.

    2006-01-01

    Joint FAO/IAEA/WHO Expert Committee approved the use of radiation treatment of foods. Nowadays food packaging are mostly made of plastics, natural or synthetic, therefore effect of irradiation on these materials is crucial for packing engineering for food irradiation technology. By selecting the right polymer materials for food packaging it can be ensured that the critical elements of material and product performance are not compromised. When packaging materials are in contact with food at the time of irradiation that regulatory approvals sometimes apply. The review of the R-and-D and technical papers regarding material selection, testing and approval is presented in the report. The most information come from the USA where this subject is well elaborated, the International Atomic Energy Agency (IAEA) reports are reviewed as well. The report can be useful for scientists and food irradiation plants operators. (author)

  14. Polarizable protein packing

    KAUST Repository

    Ng, Albert H.

    2011-01-24

    To incorporate protein polarization effects within a protein combinatorial optimization framework, we decompose the polarizable force field AMOEBA into low order terms. Including terms up to the third-order provides a fair approximation to the full energy while maintaining tractability. We represent the polarizable packing problem for protein G as a hypergraph and solve for optimal rotamers with the FASTER combinatorial optimization algorithm. These approximate energy models can be improved to high accuracy [root mean square deviation (rmsd) < 1 kJ mol -1] via ridge regression. The resulting trained approximations are used to efficiently identify new, low-energy solutions. The approach is general and should allow combinatorial optimization of other many-body problems. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 Copyright © 2011 Wiley Periodicals, Inc.

  15. The special features of the crystal structure and properties of oxides with mixed conductivity based on lanthanum gallate

    Science.gov (United States)

    Politova, E. D.; Ivanov, S. A.; Kaleva, G. M.; Mosunov, A. V.; Rusakov, V. S.

    2008-10-01

    The paper presents a review of works on the synthesis, structural composition effects, phase transitions, and electrical conductivity properties of multicomponent solid solutions based on heterosubstituted lanthanum gallate (La,A)(Ga,M)O3 - y . High-temperature phase transitions and structural and charge ordering effects were studied. The presence of iron cations in different valence states was proved; the relative contents of these cations depended on the x parameter and nonstoichiometry parameter y of the base composition. For M = Fe, antiferromagnetic ordering was observed; its temperature interval was determined by the concentration of iron cations in the high-spin state. The total conductivity was found to increase as the concentration of transition metal cations grew because of an increase in the electronic conductivity component. The data on structural parameters and dc and ac conductivity substantiated the conclusion that the highest ionic conductivity and permeability to oxygen were characteristic of iron-containing oxides. The results obtained are evidence that crystal chemical factors play a determining role in the formation of the ion-conducting properties of anion-deficient perovskite-like oxides.

  16. On the perfect hexagonal packing of rods

    International Nuclear Information System (INIS)

    Starostin, E L

    2006-01-01

    In most cases the hexagonal packing of fibrous structures or rods extremizes the energy of interaction between strands. If the strands are not straight, then it is still possible to form a perfect hexatic bundle. Conditions under which the perfect hexagonal packing of curved tubular structures may exist are formulated. Particular attention is given to closed or cycled arrangements of the rods like in the DNA toroids and spools. The closure or return constraints of the bundle result in an allowable group of automorphisms of the cross-sectional hexagonal lattice. The structure of this group is explored. Examples of open helical-like and closed toroidal-like bundles are presented. An expression for the elastic energy of a perfectly packed bundle of thin elastic rods is derived. The energy accounts for both the bending and torsional stiffnesses of the rods. It is shown that equilibria of the bundle correspond to solutions of a variational problem formulated for the curve representing the axis of the bundle. The functional involves a function of the squared curvature under the constraints on the total torsion and the length. The Euler-Lagrange equations are obtained in terms of curvature and torsion and due to the existence of the first integrals the problem is reduced to the quadrature. The three-dimensional shape of the bundle may be readily reconstructed by integration of the Ilyukhin-type equations in special cylindrical coordinates. The results are of universal nature and are applicable to various fibrous structures, in particular, to intramolecular liquid crystals formed by DNA condensed in toroids or packed inside the viral capsids

  17. Random packing of digitized particles

    NARCIS (Netherlands)

    Korte, de A.C.J.; Brouwers, H.J.H.

    2013-01-01

    The random packing of regularly and irregularly shaped particles has been studied extensively. Within this paper, packing is studied from the perspective of digitized particles. These digitized particles are developed for and used in cellular automata systems, which are employed for the simple

  18. Random packing of digitized particles

    NARCIS (Netherlands)

    de Korte, A.C.J.; Brouwers, Jos

    2012-01-01

    The random packing of regularly and irregularly shaped particles has been studied extensively. Within this paper, packing is studied from the perspective of digitized particles. These digitized particles are developed for and used in cellular automata systems, which are employed for the simple

  19. BNGS B valve packing program

    International Nuclear Information System (INIS)

    Cumming, D.

    1995-01-01

    The Bruce B Valve Packing Program began in 1987. The early history and development were presented at the 1992 International CANDU Maintenance conference. This presentation covers the evolution of the Bruce B Valve Packing Program over the period 1992 to 1995. (author)

  20. Crystal structures of two transcriptional regulators from Bacillus cereus define the conserved structural features of a PadR subfamily.

    Directory of Open Access Journals (Sweden)

    Guntur Fibriansah

    Full Text Available PadR-like transcriptional regulators form a structurally-related family of proteins that control the expression of genes associated with detoxification, virulence and multi-drug resistance in bacteria. Only a few members of this family have been studied by genetic, biochemical and biophysical methods, and their structure/function relationships are still largely undefined. Here, we report the crystal structures of two PadR-like proteins from Bacillus cereus, which we named bcPadR1 and bcPadR2 (products of gene loci BC4206 and BCE3449 in strains ATCC 14579 and ATCC 10987, respectively. BC4206, together with its neighboring gene BC4207, was previously shown to become significantly upregulated in presence of the bacteriocin AS-48. DNA mobility shift assays reveal that bcPadR1 binds to a 250 bp intergenic region containing the putative BC4206-BC4207 promoter sequence, while in-situ expression of bcPadR1 decreases bacteriocin tolerance, together suggesting a role for bcPadR1 as repressor of BC4206-BC4207 transcription. The function of bcPadR2 (48% identical in sequence to bcPadR1 is unknown, but the location of its gene just upstream from genes encoding a putative antibiotic ABC efflux pump, suggests a role in regulating antibiotic resistance. The bcPadR proteins are structurally similar to LmrR, a PadR-like transcription regulator in Lactococcus lactis that controls expression of a multidrug ABC transporter via a mechanism of multidrug binding and induction. Together these proteins define a subfamily of conserved, relatively small PadR proteins characterized by a single C-terminal helix for dimerization. Unlike LmrR, bcPadR1 and bcPadR2 lack a central pore for ligand binding, making it unclear whether the transcriptional regulatory roles of bcPadR1 and bcPadR2 involve direct ligand recognition and induction.

  1. Heuristics for Multidimensional Packing Problems

    DEFF Research Database (Denmark)

    Egeblad, Jens

    for a minimum height container required for the items. The main contributions of the thesis are three new heuristics for strip-packing and knapsack packing problems where items are both rectangular and irregular. In the two first papers we describe a heuristic for the multidimensional strip-packing problem...... that is based on a relaxed placement principle. The heuristic starts with a random overlapping placement of items and large container dimensions. From the overlapping placement overlap is reduced iteratively until a non-overlapping placement is found and a new problem is solved with a smaller container size...... of this heuristic are among the best published in the literature both for two- and three-dimensional strip-packing problems for irregular shapes. In the third paper, we introduce a heuristic for two- and three-dimensional rectangular knapsack packing problems. The two-dimensional heuristic uses the sequence pair...

  2. Nasal packing with ventilated nasal packs; a comparison with traditional vaseline nasal pack

    International Nuclear Information System (INIS)

    Alam, J.; Siddiqui, M.W.; Abbas, A.; Sami, M.; Ayub, Z.

    2017-01-01

    To compare the benefits of ventilated nasal packing with traditional vaseline guaze nasal packing. Study Design: Randomized controlled trial. Place and Duration of Study: This study was conducted at CMH Multan, from Jun 2014 to Dec 2014. Material and Methods: In this study, sample size of 80 patients was calculated using WHO calculator. Patients were divided in two groups using lottery method endotracheal tube and piece of surgical glove filled with ribbon guaze was utilized for fabricated ventilated nasal pack and compared with traditional nasal packs. Nasal obstruction and sleep disturbance were studied at eight hours and twenty-four hours following surgery using visual analog scale. Results: Mean nasal obstruction with ventilated nasal pack was 45.62 +- 6.17 and with Vaseline nasal pack was 77.67 +- 4.85 which was statistically significant (p=0.001) in both the groups. Mean sleep disturbance in both the groups was 46.32 +- 5.23 and 68.75 +- 2.70 respectively which was statistically significant (p=0.001) in both the groups. Conclusion: Patients with ventilated nasal packs were found to have better tolerance to nasal packs due to less nasal obstruction and sleep disturbance

  3. 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state

    International Nuclear Information System (INIS)

    Chojnowski, Grzegorz; Breer, Katarzyna; Narczyk, Marta; Wielgus-Kutrowska, Beata; Czapinska, Honorata; Hashimoto, Mariko; Hikishima, Sadao; Yokomatsu, Tsutomu; Bochtler, Matthias; Girstun, Agnieszka; Staron, Krzysztof; Bzowska, Agnieszka

    2010-01-01

    Low molecular mass purine nucleoside phosphorylases (PNPs, E.C. 2.4.2.1) are homotrimeric enzymes that are tightly inhibited by immucillins. Due to the positive charge on the ribose like part (iminoribitol moiety) and protonation of the N7 atom of the purine ring, immucillins are believed to act as transition state analogues. Over a wide range of concentrations, immucillins bind with strong negative cooperativity to PNPs, so that only every third binding site of the enzyme is occupied (third-of-the-sites binding). 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine (DFPP-DG) shares with immucillins the protonation of the N7, but not the positive charge on the ribose like part of the molecule. We have previously shown that DFPP-DG interacts with PNPs with subnanomolar inhibition constant. Here, we report additional biochemical experiments to demonstrate that the inhibitor can be bound with the same K d (∼190 pM) to all three substrate binding sites of the trimeric PNP, and a crystal structure of PNP in complex with DFPP-DG at 1.45 A resolution, the highest resolution published for PNPs so far. The crystals contain the full PNP homotrimer in the asymmetric unit. DFPP-DG molecules are bound in superimposable manner and with full occupancies to all three PNP subunits. Thus the postulated third-of-the-sites binding of immucillins should be rather attribute to the second feature of the transition state, ribooxocarbenium ion character of the ligand or to the coexistence of both features characteristic for the transition state. The DFPP-DG/PNP complex structure confirms the earlier observations, that the loop from Pro57 to Gly66 covering the phosphate-binding site cannot be stabilized by phosphonate analogues. The loop from Glu250 to Gln266 covering the base-binding site is organized by the interactions of Asn243 with the Hoogsteen edge of the purine base of analogues bearing one feature of the postulated transition state (protonated N7 position).

  4. Deterministic indexing for packed strings

    DEFF Research Database (Denmark)

    Bille, Philip; Gørtz, Inge Li; Skjoldjensen, Frederik Rye

    2017-01-01

    Given a string S of length n, the classic string indexing problem is to preprocess S into a compact data structure that supports efficient subsequent pattern queries. In the deterministic variant the goal is to solve the string indexing problem without any randomization (at preprocessing time...... or query time). In the packed variant the strings are stored with several character in a single word, giving us the opportunity to read multiple characters simultaneously. Our main result is a new string index in the deterministic and packed setting. Given a packed string S of length n over an alphabet σ...

  5. Radiation sterilization of plastic packing materials and aseptic packaging

    International Nuclear Information System (INIS)

    Tokuoka, Keiko

    1986-01-01

    In the present day of 'satiation', quality, not quantity, is emphasized for foods, the consumers being oriented toward raw and healthy foodstuff. Aseptic Packaging is excellent means of conservation. While conventionally chemicals have been used for sterilization of packing materials for aseptic packaging, the sterilization by radiation is used in part recently. The following are described : history of aseptic packaging and its features, sterilization by radiation, γ-ray sterilization of large-sized containers, the development of an aseptic packaging system using electron rays, the occurrence of offensive odors from packing materials (comparison of odors from various materials, volatile substances occurring in irradiated polyethylene, influence of film grade upon the formation of carboxylic acid, influence of the irradiation conditions upon the occurrences of volatile substances, volatile substances occurring in the irradiation of bag-in-box packing materials), changes in properties of the packing materials. (Mori, K.)

  6. Calorimetric features of release of plastic deformation induced internal stresses, and approach to equilibrium state on annealing of crystals and glasses

    Energy Technology Data Exchange (ETDEWEB)

    Johari, G.P., E-mail: joharig@mcmaster.ca

    2014-04-01

    Highlights: • Stress release in a glass occurs at a faster rate than structural relaxation. • Plastically-deformed glass would show two exothermic minima, and no glass transition. • Enthalpy matching procedure would yield an inaccurate fictive temperature. • Complex heat capacity may distinguish plastically-deformed from quench-formed glass. - Abstract: Plastic deformation of crystals and glasses produces internal strains (stresses), which change their energy and other thermodynamic properties. On annealing, these stresses decrease at a rate faster than the structure relaxes toward the equilibrium state. Mechanism of such relaxations in crystals differs from that in glasses and it also differs for glasses of different types. In all cases, the energy related properties decrease with time isothermally and on heating, resembling the structure relaxation of a stress-free glass. We consider these features and argue that kinetics of enthalpy loss with time yields the rate constants of the stress release and of the structure change, and not the viscosity determining α-relaxation time. Since thermal cycling does not recover the enthalpy from internal stresses, a glass with stresses has neither a glass-softening temperature, T{sub g}, nor a fictive temperature, T{sub f}. Plastic deformation would not rejuvenate a physically aged glass to the properties of its un-aged state. The Prigogine–Defay ratio can be extended to all T{sub f}s, and used to investigate the effect of distribution of relaxation times on its value, but it can not be defined for an internally stressed glass. After discussing the effects of annealing on the heat capacity and DSC scans, we conclude that on slow heating, glass with deformation-induced stresses would show two exothermic minima, and normal glass would show only one such minimum. Temperature-modulated scanning calorimetry would also distinguish an internally stressed glass from an equally high-enthalpy, stress-free glass. Enthalpy

  7. The pursuit of perfect packing

    CERN Document Server

    Weaire, Denis

    2008-01-01

    Coauthored by one of the creators of the most efficient space packing solution, the Weaire-Phelan structure, The Pursuit of Perfect Packing, Second Edition explores a problem of importance in physics, mathematics, chemistry, biology, and engineering: the packing of structures. Maintaining its mathematical core, this edition continues and revises some of the stories from its predecessor while adding several new examples and applications. The book focuses on both scientific and everyday problems ranging from atoms to honeycombs. It describes packing models, such as the Kepler conjecture, Voronoï decomposition, and Delaunay decomposition, as well as actual structure models, such as the Kelvin cell and the Weaire-Phelan structure. The authors discuss numerous historical aspects and provide biographical details on influential contributors to the field, including emails from Thomas Hales and Ken Brakke. With examples from physics, crystallography, engineering, and biology, this accessible and whimsical bo...

  8. New iodine filter pack design

    International Nuclear Information System (INIS)

    Blackbee, B.A.

    1977-10-01

    To enable Naval Emergency Monitoring Teams to fulfil their role in the field it was necessary to locate or design a replacement filter pack for the collection of radioactive iodine air samples. Collaboration with the Berkeley Laboratories of the Central Electricity Generating Board provided the necessary starting point for a suitable type of package. Further development by NGTE (West Drayton) yielded the improved filter pack which is the subject of this memorandum. (author)

  9. Nonlinear coherent structures in granular crystals

    Science.gov (United States)

    Chong, C.; Porter, Mason A.; Kevrekidis, P. G.; Daraio, C.

    2017-10-01

    The study of granular crystals, which are nonlinear metamaterials that consist of closely packed arrays of particles that interact elastically, is a vibrant area of research that combines ideas from disciplines such as materials science, nonlinear dynamics, and condensed-matter physics. Granular crystals exploit geometrical nonlinearities in their constitutive microstructure to produce properties (such as tunability and energy localization) that are not conventional to engineering materials and linear devices. In this topical review, we focus on recent experimental, computational, and theoretical results on nonlinear coherent structures in granular crystals. Such structures—which include traveling solitary waves, dispersive shock waves, and discrete breathers—have fascinating dynamics, including a diversity of both transient features and robust, long-lived patterns that emerge from broad classes of initial data. In our review, we primarily discuss phenomena in one-dimensional crystals, as most research to date has focused on such scenarios, but we also present some extensions to two-dimensional settings. Throughout the review, we highlight open problems and discuss a variety of potential engineering applications that arise from the rich dynamic response of granular crystals.

  10. Multilayer Photonic Crystal for Spectral Narrowing of Emission

    Directory of Open Access Journals (Sweden)

    Zhanfang LIU

    2017-08-01

    Full Text Available Multilayer colloidal crystal has been prepared by the layer-by-layer deposition of silica microspheres on a glass slide. Each layer is a slab consisting of a fcc close-packed colloidal arrays. By properly choosing the sizes of spheres, the whole spectral feature of multilayer colloidal crystal can be tuned. Here, we engineered a multilayer superlattice structure with an effective passband between two stop bands. This gives a strong narrowing effect on emission spectrum. With the stop bands at the shortwave and longwave edges of emission spectrum, the passband in the central wavelength region can be regarded as a strong decrease of suppression effect and enhancement of a narrow wavelength region of emission. The spectral narrowing modification effect of suitably engineered colloidal crystals shows up their importance in potential application as optical filters and lasing devices.DOI: http://dx.doi.org/10.5755/j01.ms.23.3.16320

  11. Broadband pH-Sensing Organic Transistors with Polymeric Sensing Layers Featuring Liquid Crystal Microdomains Encapsulated by Di-Block Copolymer Chains.

    Science.gov (United States)

    Seo, Jooyeok; Song, Myeonghun; Jeong, Jaehoon; Nam, Sungho; Heo, Inseok; Park, Soo-Young; Kang, Inn-Kyu; Lee, Joon-Hyung; Kim, Hwajeong; Kim, Youngkyoo

    2016-09-14

    We report broadband pH-sensing organic field-effect transistors (OFETs) with the polymer-dispersed liquid crystal (PDLC) sensing layers. The PDLC layers are prepared by spin-coating using ethanol solutions containing 4-cyano-4'-pentyl-biphenyl (5CB) and a diblock copolymer (PAA-b-PCBOA) that consists of LC-philic block [poly(4-cyano-biphenyl-4-oxyundecyl acrylate) (PCBOA)] and acrylic acid block [poly(acrylic acid) (PAA)]. The spin-coated sensing layers feature of 5CB microdomains (pH with only small amounts (10-40 μL) of analyte solutions in both static and dynamic perfusion modes. The positive drain current change is measured for acidic solutions (pH pH > 7) result in the negative change of drain current. The drain current trend in the present PDLC-i-OFET devices is explained by the shrinking-expanding mechanism of the PAA chains in the diblock copolymer layers.

  12. High-Throughput Image Analysis of Fibrillar Materials: A Case Study on Polymer Nanofiber Packing, Alignment, and Defects in Organic Field Effect Transistors.

    Science.gov (United States)

    Persson, Nils E; Rafshoon, Joshua; Naghshpour, Kaylie; Fast, Tony; Chu, Ping-Hsun; McBride, Michael; Risteen, Bailey; Grover, Martha; Reichmanis, Elsa

    2017-10-18

    High-throughput discovery of process-structure-property relationships in materials through an informatics-enabled empirical approach is an increasingly utilized technique in materials research due to the rapidly expanding availability of data. Here, process-structure-property relationships are extracted for the nucleation, growth, and deposition of semiconducting poly(3-hexylthiophene) (P3HT) nanofibers used in organic field effect transistors, via high-throughput image analysis. This study is performed using an automated image analysis pipeline combining existing open-source software and new algorithms, enabling the rapid evaluation of structural metrics for images of fibrillar materials, including local orientational order, fiber length density, and fiber length distributions. We observe that microfluidic processing leads to fibers that pack with unusually high density, while sonication yields fibers that pack sparsely with low alignment. This is attributed to differences in their crystallization mechanisms. P3HT nanofiber packing during thin film deposition exhibits behavior suggesting that fibers are confined to packing in two-dimensional layers. We find that fiber alignment, a feature correlated with charge carrier mobility, is driven by increasing fiber length, and that shorter fibers tend to segregate to the buried dielectric interface during deposition, creating potentially performance-limiting defects in alignment. Another barrier to perfect alignment is the curvature of P3HT fibers; we propose a mechanistic simulation of fiber growth that reconciles both this curvature and the log-normal distribution of fiber lengths inherent to the fiber populations under consideration.

  13. Domain Discretization and Circle Packings

    DEFF Research Database (Denmark)

    Dias, Kealey

    A circle packing is a configuration of circles which are tangent with one another in a prescribed pattern determined by a combinatorial triangulation, where the configuration fills a planar domain or a two-dimensional surface. The vertices in the triangulation correspond to centers of circles...... to domain discretization problems such as triangulation and unstructured mesh generation techniques. We wish to ask ourselves the question: given a cloud of points in the plane (we restrict ourselves to planar domains), is it possible to construct a circle packing preserving the positions of the vertices...... and constrained meshes having predefined vertices as constraints. A standard method of two-dimensional mesh generation involves conformal mapping of the surface or domain to standardized shapes, such as a disk. Since circle packing is a new technique for constructing discrete conformal mappings, it is possible...

  14. Disordered strictly jammed binary sphere packings attain an anomalously large range of densities

    Science.gov (United States)

    Hopkins, Adam B.; Stillinger, Frank H.; Torquato, Salvatore

    2013-08-01

    Previous attempts to simulate disordered binary sphere packings have been limited in producing mechanically stable, isostatic packings across a broad spectrum of packing fractions. Here we report that disordered strictly jammed binary packings (packings that remain mechanically stable under general shear deformations and compressions) can be produced with an anomalously large range of average packing fractions 0.634≤ϕ≤0.829 for small to large sphere radius ratios α restricted to α≥0.100. Surprisingly, this range of average packing fractions is obtained for packings containing a subset of spheres (called the backbone) that are exactly strictly jammed, exactly isostatic, and also generated from random initial conditions. Additionally, the average packing fractions of these packings at certain α and small sphere relative number concentrations x approach those of the corresponding densest known ordered packings. These findings suggest for entropic reasons that these high-density disordered packings should be good glass formers and that they may be easy to prepare experimentally. We also identify an unusual feature of the packing fraction of jammed backbones (packings with rattlers excluded). The backbone packing fraction is about 0.624 over the majority of the α-x plane, even when large numbers of small spheres are present in the backbone. Over the (relatively small) area of the α-x plane where the backbone is not roughly constant, we find that backbone packing fractions range from about 0.606 to 0.829, with the volume of rattler spheres comprising between 1.6% and 26.9% of total sphere volume. To generate isostatic strictly jammed packings, we use an implementation of the Torquato-Jiao sequential linear programming algorithm [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.82.061302 82, 061302 (2010)], which is an efficient producer of inherent structures (mechanically stable configurations at the local maxima in the density landscape). The identification and

  15. Cylinder valve packing nut studies

    Energy Technology Data Exchange (ETDEWEB)

    Blue, S.C. [Martin Marietta Energy Systems, Inc., Paducah, KY (United States)

    1991-12-31

    The design, manufacture, and use of cylinder valve packing nuts have been studied to improve their resistance to failure from stress corrosion cracking. Stress frozen photoelastic models have been analyzed to measure the stress concentrations at observed points of failure. The load effects induced by assembly torque and thermal expansion of stem packing were observed by strain gaging nuts. The effects of finishing operations and heat treatment were studied by the strain gage hole boring and X-ray methods. Modifications of manufacturing and operation practices are reducing the frequency of stress corrosion failures.

  16. Singlet Fission in Rubrene Derivatives: Impact of Molecular Packing

    KAUST Repository

    Sutton, Christopher

    2017-03-13

    We examine the properties of six recently synthesized rubrene derivatives (with substitutions on the side phenyl rings) that show vastly different crystal structures. In order to understand how packing in the solid state affects the excited states and couplings relevant for singlet fission, the lowest excited singlet (S), triplet (T), multiexciton (TT), and charge-transfer (CT) states of the rubrene derivatives are compared to known singlet fission materials [tetracene, pentacene, 5,12-diphenyltetracene (DPT), and rubrene itself]. While a small difference of less than 0.2 eV is calculated for the S and TT energies, a range of 0.50 to 1.2 eV in the CT energies and nearly 3 orders of magnitude in the electronic couplings are computed for the rubrene derivatives in their crystalline packings, which strongly affects the role of the CT state in facilitating SF. To rationalize experimental observations of singlet fission occurring in amorphous phases of rubrene, DPT, and tetracene, we use molecular dynamics (MD) simulations to assess the impact of molecular packing and orientations and to gain a better understanding of the parameters that control singlet fission in amorphous films compared to crystalline packings. The MD simulations point to a crystalline-like packing for thin films of tetracene; on the other hand, DPT, rubrene, and the rubrene derivatives all show various degrees of disorder with a number of sites that have larger electronic couplings than in the crystal, which can facilitate singlet fission in such thin films. Our analysis underlines the potential of these materials as promising candidates for singlet fission and helps understand how various structural motifs affect the critical parameters that control the ability of a system to undergo singlet fission.

  17. A comparative study on the crystal structure of bicycle analogues to the natural phytotoxin helminthosporins

    Science.gov (United States)

    Barbosa, Luiz Cláudio de Almeida; Teixeira, Robson Ricardo; Nogueira, Leonardo Brandão; Maltha, Celia Regina Alvares; Doriguetto, Antônio Carlos; Martins, Felipe Terra

    2016-02-01

    Herein we described structural insights of a series of analogues to helminthosporin phytotoxins. The key reaction used to prepare the compounds corresponded to the [3 + 4] cycloaddition between the oxyallyl cation generated from 2,4-dibromopentan-3-one and different furans. Their structures were confirmed upon IR, NMR and X-ray diffraction analyses. While bicycles 7, 8 and 9 crystallize in the centrosymmetric monoclinic space group P21/c, compound 10 was solved in the noncentrosymmetric orthorhombic space group P212121. The solid materials obtained were shown to be racemic crystals (7, 8, 9) or racemic conglomerate (10). In all compounds, there is formation of a bicycle featured by fused tetrahydropyranone and 2,5-dihydrofuran rings. They adopt chair and envelope conformations, respectively. Crystal packing of all compounds is stabilized through C-H•••O contacts. Conformational aspects as well as similarities and differences among the crystal structures of the synthesized analogues are discussed.

  18. Towards optimal packed string matching

    DEFF Research Database (Denmark)

    Ben-Kiki, Oren; Bille, Philip; Breslauer, Dany

    2014-01-01

    -size string-matching instruction wssm is available in contemporary commodity processors. The other word-size maximum-suffix instruction wslm is only required during the pattern pre-processing. Benchmarks show that our solution can be efficiently implemented, unlike some prior theoretical packed string...

  19. SPREADING OF A FLUID JET ON THE CORRUGATED SURFACE OF THE STRUCTURED PACKING OF WET SCRUBBERS

    Directory of Open Access Journals (Sweden)

    Gorodilov A.A.

    2014-08-01

    Full Text Available The new packing for wet scrubbers for cooling exhaust gases of furnaces is presented. Spreading features of the fluid jet on the corrugated surface of the proposed packing have been studied. Flow rate of the liquid flowing through slits to the opposite side of the packing element was determined. Several regimes of a fluid flow on the surface of the proposed structured packing were determined. An optimal range of rational flow rates for more intense cooling of exhaust gases is proposed. It was discovered that the range of optimum flow rates may be extended if the surface of the packing element is pre-wetted. The way of increasing the rate of effective interfacial surface area for gas-liquid contact per unit volume of the packing of the scrubber is presented.

  20. The Maximum Resource Bin Packing Problem

    DEFF Research Database (Denmark)

    Boyar, J.; Epstein, L.; Favrholdt, L.M.

    2006-01-01

    Usually, for bin packing problems, we try to minimize the number of bins used or in the case of the dual bin packing problem, maximize the number or total size of accepted items. This paper presents results for the opposite problems, where we would like to maximize the number of bins used...... algorithms, First-Fit-Increasing and First-Fit-Decreasing for the maximum resource variant of classical bin packing. For the on-line variant, we define maximum resource variants of classical and dual bin packing. For dual bin packing, no on-line algorithm is competitive. For classical bin packing, we find...

  1. Hardness of approximation for strip packing

    DEFF Research Database (Denmark)

    Adamaszek, Anna Maria; Kociumaka, Tomasz; Pilipczuk, Marcin

    2017-01-01

    Strip packing is a classical packing problem, where the goal is to pack a set of rectangular objects into a strip of a given width, while minimizing the total height of the packing. The problem has multiple applications, for example, in scheduling and stock-cutting, and has been studied extensively......)-approximation by two independent research groups [FSTTCS 2016,WALCOM 2017]. This raises a questionwhether strip packing with polynomially bounded input data admits a quasi-polynomial time approximation scheme, as is the case for related twodimensional packing problems like maximum independent set of rectangles or two...

  2. Valve packing manual. A maintenance application guide

    International Nuclear Information System (INIS)

    Aikin, J.A.; McCutcheon, R.G.; Cumming, D.

    1997-01-01

    Since 1970, AECL Chalk River Mechanical Equipment Development (MED) branch has invested over 175 person years in testing related to improving valve packing performance. Successful developments, including, 'live-loading', reduced packing heights, and performance-based packing qualification testing have been implemented. Since 1986, MED and the Integrated Valve Actuator Program Task Force - Valve Packing Steering Committee (IVAP-VPSC) have been involved in the development of combination die-formed graphite packing for use in CANDU plants. Many reports, articles, and specifications have been issued. Due to the large amount of test data and reports, a more user-friendly document has been prepared for everyday use. The Valve Packing Manual is based on many years of MED research and testing, as well as operating experience from CANDU nuclear generating stations (NGS). Since 1986, packing research and testing has been funded by the CANDU Owners Group (COG), the Electric Power Research Institute (EPRI), and participating valve packing manufacturers. The Valve Packing Manual (VPM) provides topical summaries of all work related to valve packing done since 1985. It includes advances in configuration design, stem packing friction, materials specifications, and installation procedures. This paper provides an overview on the application of the VPM with a focus on qualification testing, packing configuration, and stem packing friction. (author)

  3. Lipovitellin-phosvitin crystals with orthorhombic features: thin-section electron microscopy, gel electrophoresis, and microanalysis in teleost and amphibian yolk platelets and a comparison with other vertebrates

    International Nuclear Information System (INIS)

    Lange, R.H.; Richter, H.P.; Riehl, R.; Zierold, K.; Trandaburu, T.; Magdowski, G.

    1983-01-01

    Yolk-platelet crystals in the teleosts Pelvicachromis pulcher and Noemacheilus barbatulus and the amphibians Xenopus laevis, Rana temporaria, R. esculenta, and Triturus sp. have been studied by electron diffraction and imaging using a standardized processing (glutaraldehyde-osmium tetroxide fixation, glutaraldehyde-urea embedding, thin-section staining), by X-ray microanalysis, and sodium dodecyl sulfate-polyacrylamide gel electrophoresis of their constituents. The crystal lattice is orthorhombic having. Crystal images in the three axial projections point to the presence of space group P212121 (or an approximation of it since the lipovitellin dimers cannot be fully equivalent in some cases), to differences between the phosvitins of the two teleosts, and to a highly unusual stain exclusion from large crystal constituents interpreted as representing lipovitellin dimers. Microanalysis in ultrathin cryosections and other preparations revealed K and Cl to be the prominent ions in the crystals (and in the superficial layer of the platelet). Gel electrophoresis (including data of cyclostomes) showed considerable molecular variations despite a closely similar crystal architecture, emphasizing a physiological significance of the architecture, which may have remained conserved for nearly 400 million years according to paleontologic views

  4. Hypostatic jammed packings of frictionless nonspherical particles

    OpenAIRE

    VanderWerf, Kyle; Jin, Weiwei; Shattuck, Mark D.; O'Hern, Corey S.

    2017-01-01

    We perform computational studies of static packings of a variety of nonspherical particles including circulo-lines, circulo-polygons, ellipses, asymmetric dimers, and dumbbells to determine which shapes form hypostatic versus isostatic packings and to understand why hypostatic packings of nonspherical particles can be mechanically stable despite having fewer contacts than that predicted from na\\"ive constraint counting. To generate highly accurate force- and torque-balanced packings of circul...

  5. Safer v. Estate of Pack.

    Science.gov (United States)

    1996-07-11

    The Superior Court of New Jersey, Appellate Division, recognized "a physician's duty to warn those known to be at risk of avoidable harm from a genetically transmissible condition." During the 1950s, Dr. George Pack treated Donna Shafer's father for a cancerous blockage of the colon and multiple polyposis. In 1990, Safer was diagnosed with the same condition, which she claims is inherited, and, if not diagnosed and treated, invariably will lead to metastic colorectal cancer. Safer alleged that Dr. Pack knew the hereditary nature of the disease, yet failed to warn the immediate family, thus breaching his professional duty to warn. The court did not follow the analysis of the trial court, that a physician has no legal duty to warn the child of a patient of the genetic risk of disease because no physician and patient relationship exists between the doctor and the child.

  6. Fast Searching in Packed Strings

    DEFF Research Database (Denmark)

    Bille, Philip

    2009-01-01

    Given strings P and Q the (exact) string matching problem is to find all positions of substrings in Q matching P. The classical Knuth-Morris-Pratt algorithm [SIAM J. Comput., 1977] solves the string matching problem in linear time which is optimal if we can only read one character at the time....... However, most strings are stored in a computer in a packed representation with several characters in a single word, giving us the opportunity to read multiple characters simultaneously. In this paper we study the worst-case complexity of string matching on strings given in packed representation. Let m...... word-RAM with logarithmic word size we present an algorithm using time O(n/log(sigma) n + m + occ) Here occ is the number of occurrences of P in Q. For m = o(n) this improves the O(n) bound...

  7. Random packing of colloids and granular matter

    NARCIS (Netherlands)

    Wouterse, A.

    2008-01-01

    This thesis deals with the random packing of colloids and granular matter. A random packing is a stable disordered collection of touching particles, without long-range positional and orientational order. Experimental random packings of particles with the same shape but made of different materials

  8. Complications of balloon packing in epistaxis

    NARCIS (Netherlands)

    Vermeeren, Lenka; Derks, Wynia; Fokkens, Wytske; Menger, Dirk Jan

    2015-01-01

    Although balloon packing appears to be efficient to control epistaxis, severe local complications can occur. We describe four patients with local lesions after balloon packing. Prolonged balloon packing can cause damage to nasal mucosa, septum and alar skin (nasal mucosa, the cartilaginous skeleton

  9. Features of the core-valence luminescence and electron energy band structure of A1-xCsxCaCl3 (A = K,Rb) crystals

    International Nuclear Information System (INIS)

    Chornodolskyy, Ya; Stryganyuk, G; Syrotyuk, S; Voloshinovskii, A; Rodnyi, P

    2007-01-01

    From luminescence spectroscopy of CsCaCl 3 , Rb 1-x Cs x CaCl 3 and K 1-x Cs x CaCl 3 crystals, we have found evidence for intrinsic and impurity core-valence luminescence due to the radiative recombination of valence electrons with the holes of intrinsic or impurity 5p Cs + core states. The structural similarity of core-valence luminescence spectra has been revealed for the A 1-x Cs x CaCl 3 (A = K,Rb) crystals investigated. The electron energy structure of the CsCaCl 3 crystal has been calculated using the pseudopotential approach taking into account the gradient corrections for the exchange-correlation energy. The calculated density of the electronic states of CsCaCl 3 has been compared with corresponding parameters obtained from the analysis of core-valence luminescence spectra

  10. Morphological Features of Diamond Crystals Dissolved in Fe0.7S0.3 Melt at 4 GPa and 1400°C

    Science.gov (United States)

    Sonin, V. M.; Zhimulev, E. I.; Pomazanskiy, B. S.; Zemnuhov, A. L.; Chepurov, A. A.; Afanasiev, V. P.; Chepurov, A. I.

    2018-01-01

    An experimental study of the dissolution of natural and synthetic diamonds in a sulfur-bearing iron melt (Fe0.7S0.3) with high P-T parameters (4 GPa, 1400°C) was performed. The results demonstrated that under these conditions, octahedral crystals with flat faces and rounded tetrahexahedral diamond crystals are transformed into rounded octahedroids, which have morphological characteristics similar to those of natural diamonds from kimberlite. It was suggested that, taking into account the complex history of individual natural diamond crystals, including the dissolution stages, sulfur-bearing metal melts up to sulfide melts were not only diamond-forming media during the early evolution of the Earth, but also natural solvents of diamond in the mantle environment before the formation of kimberlitic melts.

  11. Influence of organic cations on the crystal packing of decavanadate ...

    Indian Academy of Sciences (India)

    Administrator

    Polyoxometallates form a rich class of inorganic materials which exhibit a range of molecular and electronic structural versatility, reactivity and relevance to catalysis, biology, medicine, geochemistry, material science, and topology 1,2. The metal oxide clusters invariably contain highly symmetrical core assemblies of MOn ...

  12. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    KAUST Repository

    Shi, Dong; Qin, X.; Li, Yuan; He, Yao; Zhong, Cheng; Pan, Jun; Dong, H.; Xu, Wei; Li, T.; Hu, W.; Bredas, Jean-Luc; Bakr, Osman

    2016-01-01

    bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure

  13. Rectangular Full Packed Format for Cholesky's Algorithm: Factorization, Solution, and Inversion

    DEFF Research Database (Denmark)

    Gustavson, Fred G.; Wasniewski, Jerzy; Dongarra, Jack J

    2010-01-01

    of the storage space but provide high performance via the use of Level 3 BLAS. Standard packed format arrays fully utilize storage (array space) but provide low performance as there is no Level 3 packed BLAS. We combine the good features of packed and full storage using RFPF to obtain high performance via using...... Level 3 BLAS as RFPF is a standard full-format representation. Also, RFPF requires exactly the same minimal storage as packed the format. Each LAPACK full and/or packed triangular, symmetric, and Hermitian routine becomes a single new RFPF routine based on eight possible data layouts of RFPF. This new...... RFPF routine usually consists of two calls to the corresponding LAPACK full-format routine and two calls to Level 3 BLAS routines. This means no new software is required. As examples, we present LAPACK routines for Cholesky factorization, Cholesky solution, and Cholesky inverse computation in RFPF...

  14. Hypostatic jammed packings of frictionless nonspherical particles

    Science.gov (United States)

    VanderWerf, Kyle; Jin, Weiwei; Shattuck, Mark D.; O'Hern, Corey S.

    2018-01-01

    We perform computational studies of static packings of a variety of nonspherical particles including circulo-lines, circulo-polygons, ellipses, asymmetric dimers, dumbbells, and others to determine which shapes form packings with fewer contacts than degrees of freedom (hypostatic packings) and which have equal numbers of contacts and degrees of freedom (isostatic packings), and to understand why hypostatic packings of nonspherical particles can be mechanically stable despite having fewer contacts than that predicted from naive constraint counting. To generate highly accurate force- and torque-balanced packings of circulo-lines and cir-polygons, we developed an interparticle potential that gives continuous forces and torques as a function of the particle coordinates. We show that the packing fraction and coordination number at jamming onset obey a masterlike form for all of the nonspherical particle packings we studied when plotted versus the particle asphericity A , which is proportional to the ratio of the squared perimeter to the area of the particle. Further, the eigenvalue spectra of the dynamical matrix for packings of different particle shapes collapse when plotted at the same A . For hypostatic packings of nonspherical particles, we verify that the number of "quartic" modes along which the potential energy increases as the fourth power of the perturbation amplitude matches the number of missing contacts relative to the isostatic value. We show that the fourth derivatives of the total potential energy in the directions of the quartic modes remain nonzero as the pressure of the packings is decreased to zero. In addition, we calculate the principal curvatures of the inequality constraints for each contact in circulo-line packings and identify specific types of contacts with inequality constraints that possess convex curvature. These contacts can constrain multiple degrees of freedom and allow hypostatic packings of nonspherical particles to be mechanically

  15. Fast searching in packed strings

    DEFF Research Database (Denmark)

    Bille, Philip

    2011-01-01

    Given strings P and Q the (exact) string matching problem is to find all positions of substrings in Q matching P. The classical Knuth–Morris–Pratt algorithm [SIAM J. Comput. 6 (2) (1977) 323–350] solves the string matching problem in linear time which is optimal if we can only read one character...... at the time. However, most strings are stored in a computer in a packed representation with several characters in a single word, giving us the opportunity to read multiple characters simultaneously. In this paper we study the worst-case complexity of string matching on strings given in packed representation....... Let m⩽n be the lengths P and Q, respectively, and let σ denote the size of the alphabet. On a standard unit-cost word-RAM with logarithmic word size we present an algorithm using timeO(nlogσn+m+occ). Here occ is the number of occurrences of P in Q. For m=o(n) this improves the O(n) bound of the Knuth...

  16. The “Theoreticals” Pack

    CERN Multimedia

    CERN Bulletin

    2011-01-01

    The Particle Zoo is a colourful set of hand-made soft toys representing the particles in the Standard Model and beyond. It includes a “theoreticals” pack where you can find yet undiscovered particles: the best-selling Higgs boson, the graviton, the tachyon, and dark matter. Supersymmetric particle soft toys are also available on demand. But what would happen to the zoo if Nature had prepared some unexpected surprises? Julie Peasley, the zookeeper, is ready to sew new smiling faces…   The "Theoreticals" pack in the Particle Zoo. There is only one place in the world where you can buy a smiling Higgs boson and it’s not at CERN, although this is where scientists hope to observe it. The blue star-shaped particle is the best seller of Julie Peasley’s Particle Zoo – a collection of tens of soft toys representing all sorts of particles, including composite and decaying particles.  Over the years Julie’s zoo ...

  17. Imaging of body packing: errors and medico-legal issues.

    Science.gov (United States)

    Reginelli, Alfonso; Russo, Anna; Urraro, Fabrizio; Maresca, Duilia; Martiniello, Ciro; D'Andrea, Alfredo; Brunese, Luca; Pinto, Antonio

    2015-10-01

    Body packing is the ingestion or insertion in the human body of packed illicit substances. Over the last 20 years, drug smuggling has increased global and new means of transport of narcotics have emerged. Among these, the most frequent one is the gastrointestinal tract: from mouth to anus, vagina, and ears. Cocaine is one of the most traded drugs, followed by heroin. Condoms, latex gloves, and balloons are typically used as drug packets for retention in the body. There are different radiologic modalities to detect illicit drugs in body packing: Plain radiography, computed tomography (CT), ultrasound, and magnetic resonance. Current protocols recommend the use of radiography to confirm packet retention and, in case of doubt, the use of abdominal CT scan with reduced mAs. In case of packet rupture, catastrophic effects can occur. Management of patients carrying packets of drugs is a recurrent medico-legal problem. To improve diagnostic accuracy and prevent hazardous complications, radiologists and emergency physicians should be familiar with radiologic features of body packing. The radiologist plays both a social and a medico-legal role in their assessment, and it should not be limited only to the identification of the packages but must also provide accurate information about their number and their exact location. In this review, we focus on diagnostic errors and medico-legal issues related to the radiological assessment of body packers.

  18. The advantages of hydraulic packing extraction

    International Nuclear Information System (INIS)

    Baker, R.S.

    1991-01-01

    Today's competitive environment, coupled with industry's desire to improve the efficiency of plant maintenance and operations, has management continually seeking ways to save time, money, and, at nuclear plants, radiation exposure. One area where a tremendous improvement in efficiency can be realized is valve packing removal. For example, industry experience indicates that up to 70% of the time it takes to repack a valve can be spent just removing the old packing. In some case, the bonnets of small valves are removed to facilitate packing removal and prevent stem and stuffing box damage that can occur when using packing removal picks. In other cases, small valves are simply removed and discarded because it costs less to replace the valves than to remove the packing using conventional methods. Hydraulic packing extraction greatly reduces packing removal time and will not damage the stem nor stuffing box, thus eliminating the need for bonnet removal or valve replacement. This paper will review some of the more common problems associated with manual packing extraction techniques. It will explain how hydraulic packing extraction eliminates or greatly reduces the impact of each of the problem areas. A discussion will be provided of some actual industry operating experiences related to success stories using hydraulic packing extraction. The paper will also briefly describe the operating parameters associated with hydraulic packing extraction tools. Throughout the paper, actual operating experiences from the nuclear power, fossil power, petrochemical, and refinery industries will be used to support the conclusion that hydraulic packing extraction is an alternative that can save time, money, and exposure

  19. Structured packing: an opportunity for energy savings

    International Nuclear Information System (INIS)

    Chavez T, R.H.; Guadarrama G, J.J.

    1996-01-01

    This work emphasizes the advantages about the use of structured packing. This type of packings allows by its geometry to reduce the processing time giving energy savings and throw down the production costs in several industries such as heavy water production plants, petrochemical industry and all industries involved with separation processes. There is a comparative results of energy consumption utilizing the structured vs. Raschig packings. (Author)

  20. Gravel packing dual zones in one trip reduces offshore completion time

    International Nuclear Information System (INIS)

    Brannon, D.H.; Harrison, D.T.; van Sickle, E.W.

    1991-01-01

    A single trip, dual-zone gravel pack system was used to successfully gravel pack two wells on Green Canyon platform 52 A in the Gulf of Mexico. An average 56 hours was saved on each well, representing reductions of about 25% in completion time and 26% in completion cost per well. Time-sensitive costs had the largest impact on Green Canyon 52 A final well completion cost; therefore, new technology or more efficient operations were required to minimize completion time. One way to enhance project economics was to gravel pack two separate zones in one trip. In this paper, four objectives are addressed during development of a single trip tool to gravel pack the stacked zones of the Marquette project. These were time and cost reduction, removal of loss circulation material (LCM) prior to gravel packing, zone isolation during gravel packing and use of conventional gravel placement techniques. The design requirement that all LCM (salt and/or viscous polymer pills), perforation debris and formation sand be removed from the wellbore prior to gravel packing was accomplished by incorporating a washdown feature that allows circulation at the bottom of the gravel pack assembly prior to landing in the sump packer

  1. Magnetophotonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, M [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Fujikawa, R [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Baryshev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Khanikaev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Lim, P B [CREST, Japan Science and Technology Agency, Saitama 332-0012, Japan (Japan); Uchida, H [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Aktsipetrov, O [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Fedyanin, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Murzina, T [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Granovsky, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation)

    2006-04-21

    When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

  2. Magnetophotonic crystals

    International Nuclear Information System (INIS)

    Inoue, M; Fujikawa, R; Baryshev, A; Khanikaev, A; Lim, P B; Uchida, H; Aktsipetrov, O; Fedyanin, A; Murzina, T; Granovsky, A

    2006-01-01

    When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

  3. Crystal Structure of Human Dual-Specificity Tyrosine-Regulated Kinase 3 Reveals New Structural Features and Insights into its Auto-phosphorylation.

    Science.gov (United States)

    Kim, Kuglae; Cha, Jeong Seok; Cho, Yong-Soon; Kim, Hoyoung; Chang, Nienping; Kim, Hye-Jung; Cho, Hyun-Soo

    2018-04-07

    Dual-specificity tyrosine-regulated kinases (DYRKs) auto-phosphorylate a critical tyrosine residue in their activation loop and phosphorylate their substrate on serine and threonine residues. The auto-phosphorylation occurs intramolecularly and is a one-off event. DYRK3 is selectively expressed at a high level in hematopoietic cells and attenuates erythroblast development, leading to anemia. In the present study, we determined the crystal structure of the mature form of human DYRK3 in complex with harmine, an ATP competitive inhibitor. The crystal structure revealed a phosphorylation site, residue S350, whose phosphorylation increases the stability of DYRK3 and enhances its kinase activity. In addition, our structural and biochemical assays suggest that the N-terminal auto-phosphorylation accessory domain stabilizes the DYRK3 protein, followed by auto-phosphorylation of the tyrosine of the activation loop, which is important for kinase activity. Finally, our docking analysis provides information for the design of novel and potent therapeutics to treat anemia. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

    International Nuclear Information System (INIS)

    Johnson, C.K.

    1976-03-01

    A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds

  5. OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, C.K.

    1976-03-01

    A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds.

  6. Development of an effective valve packing program

    Energy Technology Data Exchange (ETDEWEB)

    Hart, K.A.

    1996-12-01

    Current data now shows that graphite valve packing installed within the guidance of a controlled program produces not only reliable stem sealing but predictable running loads. By utilizing recent technological developments in valve performance monitoring for both MOV`s and AOV`s, valve packing performance can be enhanced while reducing maintenance costs. Once known, values are established for acceptable valve packing loads, the measurement of actual valve running loads via the current MOV/AOV diagnostic techniques can provide indication of future valve stem sealing problems, improper valve packing installation or identify the opportunity for valve packing program improvements. At times the full benefit of these advances in material and predictive technology remain under utilized due to simple past misconceptions associated with valve packing. This paper will explore the basis for these misconceptions, provide general insight into the current understanding of valve packing and demonstrate how with this new understanding and current valve diagnostic equipment the key aspects required to develop an effective, quality valve packing program fit together. The cost and operational benefits provided by this approach can be significant impact by the: elimination of periodic valve repacking, reduction of maintenance costs, benefits of leak-free valve operation, justification for reduced Post Maintenance Test Requirements, reduced radiation exposure, improved plant appearance.

  7. The general packed column : an analytical solution

    NARCIS (Netherlands)

    Gielen, J.L.W.

    2000-01-01

    The transient behaviour of a packed column is considered. The column, uniformly packed on a macroscopic scale, is multi-structured on the microscopic level: the solid phase consists of particles, which may differ in incidence, shape or size, and other relevant physical properties. Transport in the

  8. On contact numbers in random rod packings

    NARCIS (Netherlands)

    Wouterse, A.; Luding, Stefan; Philipse, A.P.

    2009-01-01

    Random packings of non-spherical granular particles are simulated by combining mechanical contraction and molecular dynamics, to determine contact numbers as a function of density. Particle shapes are varied from spheres to thin rods. The observed contact numbers (and packing densities) agree well

  9. 7 CFR 982.11 - Pack.

    Science.gov (United States)

    2010-01-01

    ... according to size, internal quality, and external appearance and condition of hazelnuts packed in accordance... 7 Agriculture 8 2010-01-01 2010-01-01 false Pack. 982.11 Section 982.11 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and...

  10. Does Post Septoplasty Nasal Packing Reduce Complications?

    Directory of Open Access Journals (Sweden)

    Bijan Naghibzadeh

    2011-01-01

    Full Text Available The main issues in nasal surgery are to stabilize the nose in the good position after surgery and preserve the cartilages and bones in the favorable situation and reduce the risk of deviation recurrence. Also it is necessary to avoid the synechia formation, nasal valve narrowing, hematoma and bleeding. Due to the above mentioned problems and in order to solve and minimize them nasal packing, nasal splint and nasal mold have been advised. Patients for whom the nasal packing used may faced to some problems like naso-pulmonary reflex, intractable pain, sleep disorder, post operation infection and very dangerous complication like toxic shock syndrome. We have two groups of patients and three surgeons (one of the surgeons used post operative nasal packing in his patients and the two others surgeons did not.Complications and morbidities were compared in these two groups. Comparing the two groups showed that the rate of complication and morbidities between these two groups were same and the differences were not valuable, except the pain and discomfort post operatively and at the time of its removal. Nasal packing has several risks for the patients while its effects are not studied. Septoplasty can be safely performed without postoperative nasal packing. Nasal packing had no main findings that compensated its usage. Septal suture is one of the procedures that can be used as alternative method to nasal packing. Therefore the nasal packing after septoplasty should be reserved for the patients with increased risk of bleeding.

  11. Computational strain gradient crystal plasticity

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2014-01-01

    A numerical method for viscous strain gradient crystal plasticity theory is presented, which incorporates both energetic and dissipative gradient effects. The underlying minimum principles are discussed as well as convergence properties of the proposed finite element procedure. Three problems...... of plane crystal plasticity are studied: pure shear of a single crystal between rigid platens as well as plastic deformation around cylindrical voids in hexagonal close packed and face centered cubic crystals. Effective in-plane constitutive slip parameters for plane strain deformation of specifically...... oriented face centered cubic crystals are developed in terms of the crystallographic slip parameters. The effect on geometrically necessary dislocation structures introduced by plastic deformation is investigated as a function of the ratio of void radius to plasticity length scale....

  12. Fabricating colloidal crystals and construction of ordered nanostructures

    Directory of Open Access Journals (Sweden)

    Sun Zhiqiang

    2006-01-01

    Full Text Available AbstractColloidal crystals of polymeric or inorganic microspheres are of extensive interest due to their potential applications in such as sensing, optics, photonic bandgap and surface patterning. The article highlights a set of approaches developed in our group, which are efficient to prepare colloidal crystals with ordered voids, patterned colloidal crystals on non-planar surfaces, heterogeneous colloidal crystals of different building blocks, colloidal crystals composed of non-spherical polyhedrons, and colloidal crystals of non-close-packed colloidal microspheres in particular. The use of these colloidal crystals as templates for different microstructures range from nanoscale to micron-scale is also summarized.

  13. Hawking Colloquium Packed CERN Auditoriums

    CERN Multimedia

    2006-01-01

    Stephen Hawking's week long visit to CERN included an 'exceptional CERN colloquium' which filled six auditoriums. Stephen Hawking during his visit to the ATLAS experiment. Stephen Hawking, Lucasian Professor of Cambridge University, visited the Theory Unit of the Physics Department from 24 September to 1 October 2006. As part of his visit, he gave two lectures in the main auditorium - a theoretical seminar on 'The Semi-Classical Birth of The Universe', attended by about 120 specialists; and a colloquium titled 'The Origin of The Universe'. As a key public figure in theoretical physics, his presence was eagerly awaited on both occasions. Those who wanted to attend the colloquium had to arrive early and be equipped with plenty of patience. An hour before it was due to begin, the 400 capacity of the main auditorium was already full. The lecture, simultaneously broadcast to five other fully packed CERN auditoriums, was attended by an estimated total of 850. Stephen Hawking attracted a large CERN crowd, filling ...

  14. Packing configuration performance for small stem diameters

    International Nuclear Information System (INIS)

    Aikin, J.A.; Spence, C.G.; Cumming, D.

    1997-01-01

    The extensive use of graphite packing and its excellent track record for large isolating valves in CANDU, Primary Heat Transfer (PHT) systems has resulted in an increased application of graphite packing on the conventional side. Many of these applications are in air operated valves (AOVs) where the packing sets are used on small stem diameters (<1 inch) with frequent short-cycling strokes (± 10% of full stroke). The direct application of the proven packing configurations for large isolated valves to control valve application has generated problems such as stiction, packing wear and, in isolated cases, stem stall. To address this issue, a test program was conducted at AECL, CRL by MED branch. The testing showed that by reconfiguring the packing sets and using PTFE wafers reductions in stem friction of 50% at ambient conditions, a 3 fold at hot conditions are achievable. The test program also demonstrated benefits gained in packing wear with different stem roughness finishes and the potential need to exercise small stems valves that see less than full stroke cycling. The paper describes the tests results and provides field support experience. (author)

  15. Hashish Body Packing: A Case Report

    Directory of Open Access Journals (Sweden)

    Manuel Jesus Soriano-Perez

    2009-01-01

    Full Text Available A 42-year-old African male was brought by the police to the emergency department under suspicion of drug smuggling by body-packing. Plain abdominal radiograph showed multiple foreign bodies within the gastrointestinal tract. Contrast-enhanced abdominal CT confirmed the findings, and the patient admitted to have swallowed “balls” of hashish. Body-packing is a recognized method of smuggling drugs across international borders. Body packers may present to the emergency department because of drug toxicity, intestinal obstruction, or more commonly, requested by law-enforcement officers for medical confirmation or exclusion of suspected body packing.

  16. Improved Taxation Rate for Bin Packing Games

    Science.gov (United States)

    Kern, Walter; Qiu, Xian

    A cooperative bin packing game is a N-person game, where the player set N consists of k bins of capacity 1 each and n items of sizes a 1, ⋯ ,a n . The value of a coalition of players is defined to be the maximum total size of items in the coalition that can be packed into the bins of the coalition. We present an alternative proof for the non-emptiness of the 1/3-core for all bin packing games and show how to improve this bound ɛ= 1/3 (slightly). We conjecture that the true best possible value is ɛ= 1/7.

  17. Crystal structure of pseudoguainolide

    Directory of Open Access Journals (Sweden)

    Noureddine Beghidja

    2015-03-01

    Full Text Available The lactone ring in the title molecule, C15H22O3 (systematic name: 3,4a,8-trimethyldodecahydroazuleno[6,5-b]furan-2,5-dione, assumes an envelope conformation with the methine C atom adjacent to the the methine C atom carrying the methyl substituent being the flap atom. The other five-membered ring adopts a twisted conformation with the twist being about the methine–methylene C—C bond. The seven-membered ring is based on a twisted boat conformation. No specific interactions are noted in the the crystal packing.

  18. Comparing the efficacy of mature mud pack and hot pack treatments for knee osteoarthritis.

    Science.gov (United States)

    Sarsan, Ayşe; Akkaya, Nuray; Ozgen, Merih; Yildiz, Necmettin; Atalay, Nilgun Simsir; Ardic, Fusun

    2012-01-01

    The objective of this study is to compare the efficacy of mature mud pack and hot pack therapies on patients with knee osteoarthritis. This study was designed as a prospective, randomized-controlled, and single-blinded clinical trial. Twenty-seven patients with clinical and radiologic evidence of knee osteoarthritis were randomly assigned into two groups and were treated with mature mud packs (n 15) or hot packs (n=12). Patients were evaluated for pain [based on the visual analog scale (VAS)], function (WOMAC, 6 min walking distance), quality of life [Short Form-36 (SF-36)], and serum levels of tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), and insulin-like growth factor-1 (IGF-1) at baseline, post-treatment, and 3 and 6~months after treatment. The mud pack group shows a significant improvement in VAS, pain, stifness, and physical function domains of WOMAC. The difference between groups of pain and physical activity domains is significant at post-treatment in favor of mud pack. For a 6 min walking distance, mud pack shows significant improvement, and the difference is significant between groups in favor of mud pack at post-treatment and 3 and 6 months after treatment. Mud pack shows significant improvement in the pain subscale of SF-36 at the third month continuing until the sixth month after the treatment. Significant improvements are found for the social function, vitality/energy, physical role disability, and general health subscales of SF-36 in favor of the mud pack compared with the hot pack group at post-treatment. A significant increase is detected for IGF-1 in the mud pack group 3 months after treatment compared with the baseline, and the difference is significant between groups 3 months after the treatment. Mud pack is a favorable option compared with hotpack for pain relief and for the improvement of functional conditions in treating patients with knee osteoarthritis.

  19. Macromolecular crystallization in microgravity

    International Nuclear Information System (INIS)

    Snell, Edward H; Helliwell, John R

    2005-01-01

    Density difference fluid flows and sedimentation of growing crystals are greatly reduced when crystallization takes place in a reduced gravity environment. In the case of macromolecular crystallography a crystal of a biological macromolecule is used for diffraction experiments (x-ray or neutron) so as to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal then the greater the molecular structure detail that can be extracted. It is this structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences, with major potential in understanding disease pathologies. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyse the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural advances. Finally, limitations and alternatives to microgravity and future directions for this research are covered. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry and mathematics meet to enable insight to the fundamentals of life. As the reader will see, there is a great deal of physics involved when the microgravity environment is applied to crystallization, some of it known, and undoubtedly much yet to

  20. Packing circles and spheres on surfaces

    KAUST Repository

    Schiftner, Alexander; Hö binger, Mathias; Wallner, Johannes; Pottmann, Helmut

    2009-01-01

    Inspired by freeform designs in architecture which involve circles and spheres, we introduce a new kind of triangle mesh whose faces' incircles form a packing. As it turns out, such meshes have a rich geometry and allow us to cover surfaces with circle patterns, sphere packings, approximate circle packings, hexagonal meshes which carry a torsion-free support structure, hybrid tri-hex meshes, and others. We show how triangle meshes can be optimized so as to have the incircle packing property. We explain their relation to conformal geometry and implications on solvability of optimization. The examples we give confirm that this kind of meshes is a rich source of geometric structures relevant to architectural geometry. © 2009 ACM.

  1. Packing in Two and Three Dimensions

    National Research Council Canada - National Science Library

    Martins, Gustavo H

    2003-01-01

    ...), the Multidimensional Knapsack Problem (MD-KP), and the Multidimensional Bin Packing Problem (MD-BPP). In these problems, there is a set of items, with rectangular dimensions, and a set of large containers, or bins, also with rectangular dimensions...

  2. Prevention and suppression of metal packing fires.

    Science.gov (United States)

    Roberts, Mark; Rogers, William J; Sam Mannan, M; Ostrowski, Scott W

    2003-11-14

    Structured packing has been widely used because of large surface area that makes possible columns with high capacity and efficiency. The large surface area also contributes to fire hazards because of hydrocarbon deposits that can easily combust and promote combustion of the thin metal packing materials. Materials of high surface area that can fuel fires include reactive metals, such as titanium, and materials that are not considered combustible, such as stainless steel. Column design and material selection for packing construction is discussed together with employee training and practices for safe column maintenance and operations. Presented also are methods and agents for suppression of metal fires. Guidance for prevention and suppression of metal fires is related to incidents involving packing fires in columns.

  3. Packing circles and spheres on surfaces

    KAUST Repository

    Schiftner, Alexander

    2009-12-01

    Inspired by freeform designs in architecture which involve circles and spheres, we introduce a new kind of triangle mesh whose faces\\' incircles form a packing. As it turns out, such meshes have a rich geometry and allow us to cover surfaces with circle patterns, sphere packings, approximate circle packings, hexagonal meshes which carry a torsion-free support structure, hybrid tri-hex meshes, and others. We show how triangle meshes can be optimized so as to have the incircle packing property. We explain their relation to conformal geometry and implications on solvability of optimization. The examples we give confirm that this kind of meshes is a rich source of geometric structures relevant to architectural geometry.

  4. Packing circles and spheres on surfaces

    KAUST Repository

    Schiftner, Alexander

    2009-01-01

    Inspired by freeform designs in architecture which involve circles and spheres, we introduce a new kind of triangle mesh whose faces\\' incircles form a packing. As it turns out, such meshes have a rich geometry and allow us to cover surfaces with circle patterns, sphere packings, approximate circle packings, hexagonal meshes which carry a torsion-free support structure, hybrid tri-hex meshes, and others. We show how triangle meshes can be optimized so as to have the incircle packing property. We explain their relation to conformal geometry and implications on solvability of optimization. The examples we give confirm that this kind of meshes is a rich source of geometric structures relevant to architectural geometry. © 2009 ACM.

  5. Packing circles and spheres on surfaces

    KAUST Repository

    Schiftner, Alexander; Hö binger, Mathias; Wallner, Johannes; Pottmann, Helmut

    2009-01-01

    Inspired by freeform designs in architecture which involve circles and spheres, we introduce a new kind of triangle mesh whose faces' incircles form a packing. As it turns out, such meshes have a rich geometry and allow us to cover surfaces with circle patterns, sphere packings, approximate circle packings, hexagonal meshes which carry a torsion-free support structure, hybrid tri-hex meshes, and others. We show how triangle meshes can be optimized so as to have the incircle packing property. We explain their relation to conformal geometry and implications on solvability of optimization. The examples we give confirm that this kind of meshes is a rich source of geometric structures relevant to architectural geometry.

  6. Agglomeration techniques for the production of spheres for packed beds

    International Nuclear Information System (INIS)

    Sullivan, J.D.

    1988-03-01

    One attractive fusion-breeder-blanket design features a lithium bearing ceramic in the form of spheres packed into a random array. The spheres have diameters of 3 mm and 0.3 mm. This report surveys techniques used to produce ceramic spheres on an industrial scale. The methods examined include tumbling and mixing granulation, extrusion, briquetting and pelletizing. It is concluded that the required quantities of 0.3 mm diameter spheres can be produced by the tumbling agglomeration of a feed powder. The 3 mm diameter spheres will be made using a process of extrusion, chopping and rolling

  7. Control of piezoelectricity in amino acids by supramolecular packing.

    Science.gov (United States)

    Guerin, Sarah; Stapleton, Aimee; Chovan, Drahomir; Mouras, Rabah; Gleeson, Matthew; McKeown, Cian; Noor, Mohamed Radzi; Silien, Christophe; Rhen, Fernando M F; Kholkin, Andrei L; Liu, Ning; Soulimane, Tewfik; Tofail, Syed A M; Thompson, Damien

    2018-02-01

    Piezoelectricity, the linear relationship between stress and induced electrical charge, has attracted recent interest due to its manifestation in biological molecules such as synthetic polypeptides or amino acid crystals, including gamma (γ) glycine. It has also been demonstrated in bone, collagen, elastin and the synthetic bone mineral hydroxyapatite. Piezoelectric coefficients exhibited by these biological materials are generally low, typically in the range of 0.1-10 pm V -1 , limiting technological applications. Guided by quantum mechanical calculations we have measured a high shear piezoelectricity (178 pm V -1 ) in the amino acid crystal beta (β) glycine, which is of similar magnitude to barium titanate or lead zirconate titanate. Our calculations show that the high piezoelectric coefficients originate from an efficient packing of the molecules along certain crystallographic planes and directions. The highest predicted piezoelectric voltage constant for β-glycine crystals is 8 V mN -1 , which is an order of magnitude larger than the voltage generated by any currently used ceramic or polymer.

  8. Control of piezoelectricity in amino acids by supramolecular packing

    Science.gov (United States)

    Guerin, Sarah; Stapleton, Aimee; Chovan, Drahomir; Mouras, Rabah; Gleeson, Matthew; McKeown, Cian; Noor, Mohamed Radzi; Silien, Christophe; Rhen, Fernando M. F.; Kholkin, Andrei L.; Liu, Ning; Soulimane, Tewfik; Tofail, Syed A. M.; Thompson, Damien

    2018-02-01

    Piezoelectricity, the linear relationship between stress and induced electrical charge, has attracted recent interest due to its manifestation in biological molecules such as synthetic polypeptides or amino acid crystals, including gamma (γ) glycine. It has also been demonstrated in bone, collagen, elastin and the synthetic bone mineral hydroxyapatite. Piezoelectric coefficients exhibited by these biological materials are generally low, typically in the range of 0.1-10 pm V-1, limiting technological applications. Guided by quantum mechanical calculations we have measured a high shear piezoelectricity (178 pm V-1) in the amino acid crystal beta (β) glycine, which is of similar magnitude to barium titanate or lead zirconate titanate. Our calculations show that the high piezoelectric coefficients originate from an efficient packing of the molecules along certain crystallographic planes and directions. The highest predicted piezoelectric voltage constant for β-glycine crystals is 8 V mN-1, which is an order of magnitude larger than the voltage generated by any currently used ceramic or polymer.

  9. Granular packing as model glass formers

    International Nuclear Information System (INIS)

    Wang Yujie

    2017-01-01

    Static granular packings are model hard-sphere glass formers. The nature of glass transition has remained a hotly debated issue. We review recent experimental progresses in using granular materials to study glass transitions. We focus on the growth of glass order with five-fold symmetry in granular packings and relate the findings to both geometric frustration and random first-order phase transition theories. (paper)

  10. Integrality gap analysis for bin packing games

    NARCIS (Netherlands)

    Kern, Walter; Qui, X.

    A cooperative bin packing game is an $N$-person game, where the player set $N$ consists of $k$ bins of capacity 1 each and $n$ items of sizes $a_1,\\dots,a_n$. The value $v(S)$ of a coalition $S$ of players is defined to be the maximum total size of items in $S$ that can be packed into the bins of

  11. Development of a leadership resource pack

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    The pack contains notes and presentation material for OSD inspectors to help them prepare for health and safety discussions with senior managers. The successful application of the leadership resource pack depends on an inspector gaining familiarity with the contents of the pack. Flexibility and adaptability were considered crucial factors in developing the contents. The pack is not considered a substitute for an inspector's own experience, knowledge or substitute for prior research. The leadership resource pack is intended as a source of knowledge and good practice that demonstrates how positive leadership can drive a health and safety agenda alongside business considerations. The benefits of the leadership resource pack include: the creation of a flexible tool that inspectors can use to highlight key leadership messages in health and safety; the development of a seven-stage model for characterising senior management commitment; practical examples of how leadership in health and safety management was felt throughout nine organisations; ideas for devising an aide memoire for specific discussions with senior managers. (author)

  12. Decontamination of pesticide packing using ionizing radiation

    International Nuclear Information System (INIS)

    Duarte, C.L.; Mori, M.N.; Kodama, Yasko; Oikawa, H.; Sampa, M.H.O.

    2007-01-01

    The Brazilian agriculture activities have consumed about 288,000 tons of pesticides per year conditioned in about 107,000,000 packing with weight of approximately 23,000 tons. The discharge of empty plastic packing of pesticides can be an environmental concern causing problems to human health, animals, and plants if done without inspection and monitoring. The objective of this work is to study the ionizing radiation effect in the main pesticides used in Brazil for plastic packing decontamination. Among the commercial pesticides, chlorpyrifos has significant importance because of its wide distribution and extensive use and persistence. The radiation-induced degradation of chlorpyrifos in liquid samples and in polyethylene pack was studied by gamma radiolysis. Packing of high-density polyethylene (HDPE) three layer coextruded, named COEX, contaminated with chlorpyrifos, were irradiated using both a multipurpose Co-60 gamma irradiator and a gamma source with 5000 Ci total activity Gamma cell type. The chemical analysis of the chlorpyrifos was made using a gas chromatography associated to the Mass Spectrometry-GCMS from Shimadzu Model QP 5000. Gamma radiation was efficient for removing chlorpyrifos from the plastic packing, in all studied cases

  13. Decontamination of pesticide packing using ionizing radiation

    Energy Technology Data Exchange (ETDEWEB)

    Duarte, C.L. [Instituto de Pesquisas Energeticas e Nucleares-IPEN-CNEN/SP Av. Lineu Prestes 2.242, 05508-900, Sao Paulo, SP (Brazil)], E-mail: clduarte@ipen.br; Mori, M.N.; Kodama, Yasko; Oikawa, H.; Sampa, M.H.O. [Instituto de Pesquisas Energeticas e Nucleares-IPEN-CNEN/SP Av. Lineu Prestes 2.242, 05508-900, Sao Paulo, SP (Brazil)

    2007-11-15

    The Brazilian agriculture activities have consumed about 288,000 tons of pesticides per year conditioned in about 107,000,000 packing with weight of approximately 23,000 tons. The discharge of empty plastic packing of pesticides can be an environmental concern causing problems to human health, animals, and plants if done without inspection and monitoring. The objective of this work is to study the ionizing radiation effect in the main pesticides used in Brazil for plastic packing decontamination. Among the commercial pesticides, chlorpyrifos has significant importance because of its wide distribution and extensive use and persistence. The radiation-induced degradation of chlorpyrifos in liquid samples and in polyethylene pack was studied by gamma radiolysis. Packing of high-density polyethylene (HDPE) three layer coextruded, named COEX, contaminated with chlorpyrifos, were irradiated using both a multipurpose Co-60 gamma irradiator and a gamma source with 5000 Ci total activity Gamma cell type. The chemical analysis of the chlorpyrifos was made using a gas chromatography associated to the Mass Spectrometry-GCMS from Shimadzu Model QP 5000. Gamma radiation was efficient for removing chlorpyrifos from the plastic packing, in all studied cases.

  14. Hardfacing and packings for improved valve performance

    International Nuclear Information System (INIS)

    Aikin, J.A.; Patrick, J.N.F.; Inglis, I.

    2003-01-01

    The CANDU Owners Group (COG), Chemistry, Materials and Components (CMC) Program has supported an ongoing program on valve maintenance and performance for several years. An overview is presented of recent work on iron-based hardfacing, packing qualification, friction testing of polytetrafluoroethylene (PTFE) packings, and an investigation of re-torquing valve packing. Based on this program, two new valve-packing materials have been qualified for use in CANDU stations. By doing this, CANDU maintenance can avoid having only one packing qualified for station use, as well as assess the potential impact of the industry trend towards using lower gland loads. The results from corrosion tests by AECL and the coefficient of friction studies at Battelle' s tribology testing facilities on Delcrome 910, an iron-based hardfacing alloy, indicate it is an acceptable replacement for Stellite 6 under certain conditions. This information can be used to update in-line valve purchasing specifications. The renewed interest in friction characteristics, and environmental qualification (EQ) of packing containing PTFE has resulted in a new test program in these areas. The COG-funded valve programs have resulted in modifications to design specifications for nuclear station in-line valves and have led to better maintenance practices and valve reliability. In the end, this means lower costs and cheaper electricity. (author)

  15. Bidispersed Sphere Packing on Spherical Surfaces

    Science.gov (United States)

    Atherton, Timothy; Mascioli, Andrew; Burke, Christopher

    Packing problems on spherical surfaces have a long history, originating in the classic Thompson problem of finding the ground state configuration of charges on a sphere. Such packings contain a minimal number of defects needed to accommodate the curvature; this is predictable using the Gauss-Bonnet theorem from knowledge of the topology of the surface and the local symmetry of the ordering. Famously, the packing of spherical particles on a sphere contains a 'scar' transition, where additional defects over those required by topology appear above a certain critical number of particles and self-organize into chains or scars. In this work, we study the packing of bidispersed packings on a sphere, and hence determine the interaction of bidispersity and curvature. The resultant configurations are nearly crystalline for low values of bidispersity and retain scar-like structures; these rapidly become disordered for intermediate values and approach a so-called Appollonian limit at the point where smaller particles can be entirely accommodated within the voids left by the larger particles. We connect our results with studies of bidispersed packings in the bulk and on flat surfaces from the literature on glassy systems and jamming. Supported by a Cottrell Award from the Research Corporation for Science Advancement.

  16. Crystal structure of actinide metals at high compression

    International Nuclear Information System (INIS)

    Fast, L.; Soederlind, P.

    1995-08-01

    The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure

  17. Effects of Degree of Enzymatic Interesterification on the Physical Properties of Margarine Fats: Solid Fat Content, Crystallization Behavior, Crystal Morphology, and Crystal Network

    DEFF Research Database (Denmark)

    Zhang, Hong; Smith, Paul; Adler-Nissen, Jens

    2004-01-01

    In this study enzymatic-interesterified margarine fats with different conversion degrees were produced in a packed-bed reactor. The effects of conversion degree on the formation of free fatty acids and diacyglycerols, solid fat content, crystallization behavior, microstructure, and crystal network...... °C with increasing conversion degree. Increased conversion degree from the blend to products, measured by X-ray with addition of 50% of rapeseed oil for dilution, caused the content of â to decrease from 100% to 33%, and 30% and eventually to pure ⢠crystal. However, double chain packing...

  18. Perovskite BaBiO3 Transformed Layered BaBiO2.5 Crystals Featuring Unusual Chemical Bonding and Luminescence.

    Science.gov (United States)

    Li, Hong; Zhao, Qing; Liu, Bo-Mei; Zhang, Jun-Ying; Li, Zhi-Yong; Guo, Shao-Qiang; Ma, Ju-Ping; Kuroiwa, Yoshihiro; Moriyoshi, Chikako; Zheng, Li-Rong; Sun, Hong-Tao

    2018-04-14

    Engineering oxygen coordination environments of cations in oxides has received intense interest thanks to the opportunities for the discovery of novel oxides with unusual properties. Here we present the successful synthesis of stoichiometric layered BaBiO2.5 enabled by a non-topotactic phase transformation of perovskite BaBiO3. By analysing the synchrotron X-ray diffraction data using the maximum entropy method/Rietveld technique, we find that Bi forms unusual chemical bondings with four oxygen atoms, featuring one ionic bonding and three covalent bondings that results in an asymmetric coordination geometry. A broad range of photophysical characterizations reveal that this peculiar structure shows near-infrared luminescence differing from conventional Bi-bearing systems. Experimental and theoretical results lead us to propose the excitonic nature of luminescence. Our work highlights that synthesizing materials with uncommon Bi-O bonding and Bi coordination geometry provides a pathway to the discovery of systems with new functionalities. We envisage that this work could inspire interest for the exploration of a range of materials containing heavier p-block elements, offering prospects for the finding of systems with unusual properties. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. A Harmonic Algorithm for the 3D Strip Packing Problem

    NARCIS (Netherlands)

    N. Bansal (Nikhil); X. Han; K. Iwama; M. Sviridenko; G. Zhang (Guochuan)

    2013-01-01

    htmlabstractIn the three-dimensional (3D) strip packing problem, we are given a set of 3D rectangular items and a 3D box $B$. The goal is to pack all the items in $B$ such that the height of the packing is minimized. We consider the most basic version of the problem, where the items must be packed

  20. 27 CFR 24.308 - Bottled or packed wine record.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bottled or packed wine... BUREAU, DEPARTMENT OF THE TREASURY LIQUORS WINE Records and Reports § 24.308 Bottled or packed wine record. A proprietor who bottles, packs, or receives bottled or packed beverage wine in bond shall...

  1. Quasi-Dual-Packed-Kerneled Au49 (2,4-DMBT)27 Nanoclusters and the Influence of Kernel Packing on the Electrochemical Gap.

    Science.gov (United States)

    Liao, Lingwen; Zhuang, Shengli; Wang, Pu; Xu, Yanan; Yan, Nan; Dong, Hongwei; Wang, Chengming; Zhao, Yan; Xia, Nan; Li, Jin; Deng, Haiteng; Pei, Yong; Tian, Shi-Kai; Wu, Zhikun

    2017-10-02

    Although face-centered cubic (fcc), body-centered cubic (bcc), hexagonal close-packed (hcp), and other structured gold nanoclusters have been reported, it was unclear whether gold nanoclusters with mix-packed (fcc and non-fcc) kernels exist, and the correlation between kernel packing and the properties of gold nanoclusters is unknown. A Au 49 (2,4-DMBT) 27 nanocluster with a shell electron count of 22 has now been been synthesized and structurally resolved by single-crystal X-ray crystallography, which revealed that Au 49 (2,4-DMBT) 27 contains a unique Au 34 kernel consisting of one quasi-fcc-structured Au 21 and one non-fcc-structured Au 13 unit (where 2,4-DMBTH=2,4-dimethylbenzenethiol). Further experiments revealed that the kernel packing greatly influences the electrochemical gap (EG) and the fcc structure has a larger EG than the investigated non-fcc structure. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Coalescence preference in dense packing of bubbles

    Science.gov (United States)

    Kim, Yeseul; Gim, Bopil; Gim, Bopil; Weon, Byung Mook

    2015-11-01

    Coalescence preference is the tendency that a merged bubble from the contact of two original bubbles (parent) tends to be near to the bigger parent. Here, we show that the coalescence preference can be blocked by densely packing of neighbor bubbles. We use high-speed high-resolution X-ray microscopy to clearly visualize individual coalescence phenomenon which occurs in micro scale seconds and inside dense packing of microbubbles with a local packing fraction of ~40%. Previous theory and experimental evidence predict a power of -5 between the relative coalescence position and the parent size. However, our new observation for coalescence preference in densely packed microbubbles shows a different power of -2. We believe that this result may be important to understand coalescence dynamics in dense packing of soft matter. This work (NRF-2013R1A22A04008115) was supported by Mid-career Researcher Program through NRF grant funded by the MEST and also was supported by Ministry of Science, ICT and Future Planning (2009-0082580) and by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry and Education, Science and Technology (NRF-2012R1A6A3A04039257).

  3. Direct contact condensation in packed beds

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yi; Klausner, James F.; Mei, Renwei; Knight, Jessica [Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL 32611 (United States)

    2006-12-15

    A diffusion driven desalination process was recently described where a very effective direct contact condenser with a packed bed is used to condense water vapor out of an air/vapor mixture. A laboratory scale direct contact condenser has been fabricated as a twin tower structure with two stages, co-current and countercurrent. Experiments have been operated in each stage with respective saturated air inlet temperatures of 36, 40 and 43{sup o}C. The temperature and humidity data have been collected at the inlet and exit of the packed bed for different water to air mass flow ratios that vary between 0 and 2.5. A one-dimensional model based on conservation principles has been developed, which predicts the variation of temperature, humidity, and condensation rate through the condenser stages. Agreement between the model and experiments is very good. It is observed that the countercurrent flow stage condensation effectiveness is significantly higher than that for the co-current stage. The condensation heat and mass transfer rates were found to decrease when water blockages occur within the packed bed. Using high-speed digital cinematography, it was observed that this problem can occur at any operating condition, and is dependent on the packing surface wetting characteristics. This observation is used to explain the requirement for two different empirical constants, depending on packing diameter, suggested by Onda for the air side mass transfer coefficient correlation. (author)

  4. Periodic and Aperiodic Close Packing: A Spontaneous Hard-Sphere Model.

    Science.gov (United States)

    van de Waal, B. W.

    1985-01-01

    Shows how to make close-packed models from balloons and table tennis balls to illustrate structural features of clusters and organometallic cluster-compounds (which are of great interest in the study of chemical reactions). These models provide a very inexpensive and tactile illustration of the organization of matter for concrete operational…

  5. Generalized network improvement and packing problems

    CERN Document Server

    Holzhauser, Michael

    2016-01-01

    Michael Holzhauser discusses generalizations of well-known network flow and packing problems by additional or modified side constraints. By exploiting the inherent connection between the two problem classes, the author investigates the complexity and approximability of several novel network flow and packing problems and presents combinatorial solution and approximation algorithms. Contents Fractional Packing and Parametric Search Frameworks Budget-Constrained Minimum Cost Flows: The Continuous Case Budget-Constrained Minimum Cost Flows: The Discrete Case Generalized Processing Networks Convex Generalized Flows Target Groups Researchers and students in the fields of mathematics, computer science, and economics Practitioners in operations research and logistics The Author Dr. Michael Holzhauser studied computer science at the University of Kaiserslautern and is now a research fellow in the Optimization Research Group at the Department of Mathematics of the University of Kaiserslautern.

  6. Optics of globular photonic crystals

    International Nuclear Information System (INIS)

    Gorelik, V S

    2007-01-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ∼200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

  7. Supramolecular features of 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino]-2,3-dihydroquinazolin-4(1H)-ones: A combined experimental and computational study

    Science.gov (United States)

    Mandal, Arkalekha; Patel, Bhisma K.

    2018-03-01

    The molecular structures of two isomeric 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino] substituted 2,3-dihydroquinazolin-4(1H)-ones have been determined via single crystal XRD. Both isomers contain chloro substitutions on each of the phenyl rings and as a result a broad spectrum of halogen mediated weak interactions are viable in their crystal structures. The crystal packing of these compounds is stabilized by strong N-H⋯O hydrogen bond and various weak, non-classical hydrogen bonds acting synergistically. Both the molecules contain a chiral center and the weak interactions observed in them are either chiral self-discriminatory or chiral self-recognizing in nature. The weak interactions and spectral features of the compounds have been studied through experimental as well as computational methods including DFT, MEP, NBO and Hiresfeld surface analyses. In addition, the effect of different weak interactions to dictate either chiral self-recognition or self-discrimination in crystal packing has been elucidated.

  8. Packing of ganglioside-phospholipid monolayers

    DEFF Research Database (Denmark)

    Majewski, J.; Kuhl, T.L.; Kjær, K.

    2001-01-01

    Using synchrotron grazing-incidence x-ray diffraction (GIXD) and reflectivity, the in-plane and out-of-plane structure of mixed ganglioside-phospholipid monolayers was investigated at the air-water interface. Mixed monolayers of 0, 5, 10, 20, and 100 mol% ganglioside GM, and the phospholipid...... monolayers did not affect hydrocarbon tail packing (fluidization or condensation of the hydrocarbon region). This is in contrast to previous investigations of lipopolymer-lipid mixtures, where the packing structure of phospholipid monolayers was greatly altered by the inclusion of lipids bearing hydrophilic...

  9. Used fuel packing plant for CANDU fuel

    Energy Technology Data Exchange (ETDEWEB)

    Menzies, I.; Thayer, B.; Bains, N., E-mail: imenzies@atsautomation.com [ATS Automation, Cambridge, ON (Canada); Murchison, A., E-mail: amurchison@nwmo.ca [NWMO, Toronto, ON (Canada)

    2015-07-01

    Large forgings have been selected to containerize Light Water Reactor used nuclear fuel. CANDU fuel, which is significantly smaller in size, allows novel approaches for containerization. For example, by utilizing commercially available extruded ASME pipe a conceptual design of a Used Fuel Packing Plant for containerization of used CANDU fuel in a long lived metallic container has been developed. The design adopts a modular approach with multiple independent work cells to transfer and containerize the used fuel. Based on current technologies and concepts from proven industrial systems, the Used Fuel Packing Plant can assemble twelve used fuel containers per day considering conservative levels of process availability. (author)

  10. Optical studies of metallo-dielectric photonic crystals

    Science.gov (United States)

    Kamaev, Vladimir

    2007-12-01

    Metallo-dielectric photonic crystals (MDPCs) are characterized by a large difference between the dielectric constants of the constituents. Owing to their high DC conductivity a broad omnidirectional band gap is formed at low frequencies. At the same time there exist numerous propagating electromagnetic modes at frequencies above a cutoff. This gives a possibility of creating a "transparent" metal: a crystal transparent in the visible spectral range and simultaneously having high DC conductivity. Since the cutoff wavelength linearly scales with the crystal periodicity, in order to make an MDPC with propagating modes in the visible range the crystal periodicity has to be around a quarter micrometer. Fabrication of such a crystal is a challenging task. One of the feasible choices is natural or artificial opals, structures made of silica balls arranged into a close packed fcc lattice. The ball diameters could vary from 200 nm to several microns, allowing the desired optical features to be in the visible spectral range. In the present work we studied metal-infiltrated opals numerically, analytically, and experimentally (Chapters 1 and 4). Both theory and experiment revealed high reflectance of the samples at large wavelengths associated with the low frequency metallic band gap formation, and low reflectance at short wavelengths that has characteristic wiggles. Contrarily, the absorbance is low in the IR region and goes up towards the UV end, which is due to low group velocity of light and high metal absorption in the region. Numerical analysis of thin metal-infiltrated opals (˜3-5 layers) did show a transmission peak around the first reflectance minimum and cutoff frequency. In Chapter 5 we present transmission experiments on thin metal films perforated with periodic arrays of holes or deposited on an opal monolayer. Both types of 2D MDPCs exhibited anomalous transmission peaks associated with surface plasma excitations. It was shown that the phenomenon could be

  11. Impact of interaction range and curvature on crystal growth of particles confined to spherical surfaces

    NARCIS (Netherlands)

    Paquay, S.; Both, G.-J.; Van Der Schoot, P.P.A.M.

    2017-01-01

    When colloidal particles form a crystal phase on a spherical template, their packing is governed by the effective interaction between them and the elastic strain of bending the growing crystal. For example, if growth commences under appropriate conditions, and the isotropic crystal that forms

  12. American Spirit Pack Descriptors and Perceptions of Harm: A Crowdsourced Comparison of Modified Packs.

    Science.gov (United States)

    Pearson, Jennifer L; Richardson, Amanda; Feirman, Shari P; Villanti, Andrea C; Cantrell, Jennifer; Cohn, Amy; Tacelosky, Michael; Kirchner, Thomas R

    2016-08-01

    In 2015, the Food and Drug Administration issued warnings to three tobacco manufacturers who label their cigarettes as "additive-free" and/or "natural" on the grounds that they make unauthorized reduced risk claims. The goal of this study was to examine US adults' perceptions of three American Spirit (AS) pack descriptors ("Made with Organic Tobacco," "100% Additive-Free," and "100% US Grown Tobacco") to assess if they communicate reduced risk. In September 2012, three cross-sectional surveys were posted on Amazon Mechanical Turk. Adult participants evaluated the relative harm of a Marlboro Red pack versus three different AS packs with the descriptors "Made with Organic Tobacco," "100% Additive-Free," or "100% US Grown Tobacco" (Survey 1; n = 461); a Marlboro Red pack versus these AS packs modified to exclude descriptors (Survey 2; n = 857); and unmodified versus modified AS pack images (Survey 3; n = 1001). The majority of Survey 1 participants rated the unmodified AS packs as less harmful than the Marlboro Red pack; 35.4%-58.8% of Survey 2 participants also rated the modified (no claims) packs as less harmful than Marlboro Red. In these surveys, prior use of AS cigarettes was associated with reduced perceptions of risk (adjusted odds ratio [AOR] 1.59-2.40). "Made with Organic Tobacco" and "100% Additive-Free" were associated with reduced perceptions of risk when comparing the modified versus the unmodified AS packs (Survey 3). Data suggest that these AS pack descriptors communicate reduced harm messages to consumers. Findings have implications for regulatory actions related to product labeling and packaging. These findings provide additional evidence that the "Made with Organic Tobacco," "100% Additive-Free," and "100% US Grown" descriptors, as well as other aspects of the AS pack design, communicate reduced harm to non-, current, and former smokers. Additionally, they provide support for the importance of FDA's 2015 warning to Santa Fe Natural Tobacco Company on

  13. Granular packings with moving side walls

    International Nuclear Information System (INIS)

    Landry, James W.; Grest, Gary Stephen

    2004-01-01

    The effects of movement of the side walls of a confined granular packing are studied by discrete element, molecular dynamics simulations. The dynamical evolution of the stress is studied as a function of wall movement both in the direction of gravity as well as opposite to it. For all wall velocities explored, the stress in the final state of the system after wall movement is fundamentally different from the original state obtained by pouring particles into the container and letting them settle under the influence of gravity. The original packing possesses a hydrostaticlike region at the top of the container which crosses over to a depth-independent stress. As the walls are moved in the direction opposite to gravity, the saturation stress first reaches a minimum value independent of the wall velocity, then increases to a steady-state value dependent on the wall velocity. After wall movement ceases and the packing reaches equilibrium, the stress profile fits the classic Janssen form for high wall velocities, while some deviations remain for low wall velocities. The wall movement greatly increases the number of particle-wall and particle-particle forces at the Coulomb criterion. Varying the wall velocity has only small effects on the particle structure of the final packing so long as the walls travel a similar distance.

  14. Importance of packing in spiral defect chaos

    Indian Academy of Sciences (India)

    We develop two measures to characterize the geometry of patterns exhibited by the state of spiral defect chaos, a weakly turbulent regime of Rayleigh-Bénard convection. These describe the packing of contiguous stripes within the pattern by quantifying their length and nearest-neighbor distributions. The distributions ...

  15. Wrap-Attack Pack: Product Packaging Exercise

    Science.gov (United States)

    Lee, Seung Hwan; Hoffman, K. Douglas

    2016-01-01

    Although many marketing courses discuss traditional concepts pertaining to product strategy, concepts specifically relating to packaging are often glossed over. This exercise, "Wrap-Attack Pack," teaches students about the utilitarian and hedonic design elements of packaging. More specifically, the primary objective is to creatively…

  16. Simple Cloud Chambers Using Gel Ice Packs

    Science.gov (United States)

    Kamata, Masahiro; Kubota, Miki

    2012-01-01

    Although cloud chambers are highly regarded as teaching aids for radiation education, school teachers have difficulty in using cloud chambers because they have to prepare dry ice or liquid nitrogen before the experiment. We developed a very simple and inexpensive cloud chamber that uses the contents of gel ice packs which can substitute for dry…

  17. The new generation of packing materials

    International Nuclear Information System (INIS)

    Malikov, T.S.; Dzhonmurodov, A.S.; Usmanova, S.R.; Teshaev, Kh.I.; Mukhidinov, Z.K.

    2016-01-01

    Present article is devoted to new generation of packing materials. The methods of extraction and investigation of component composition and properties of whey protein, zein, carboxymethylcellulose, hyaluronic acid and pectins were elaborated in order to further application them in pharmaceutical industry as composite materials and for capsulation of medicines.

  18. Packing frustration in dense confined fluids.

    Science.gov (United States)

    Nygård, Kim; Sarman, Sten; Kjellander, Roland

    2014-09-07

    Packing frustration for confined fluids, i.e., the incompatibility between the preferred packing of the fluid particles and the packing constraints imposed by the confining surfaces, is studied for a dense hard-sphere fluid confined between planar hard surfaces at short separations. The detailed mechanism for the frustration is investigated via an analysis of the anisotropic pair distributions of the confined fluid, as obtained from integral equation theory for inhomogeneous fluids at pair correlation level within the anisotropic Percus-Yevick approximation. By examining the mean forces that arise from interparticle collisions around the periphery of each particle in the slit, we calculate the principal components of the mean force for the density profile--each component being the sum of collisional forces on a particle's hemisphere facing either surface. The variations of these components with the slit width give rise to rather intricate changes in the layer structure between the surfaces, but, as shown in this paper, the basis of these variations can be easily understood qualitatively and often also semi-quantitatively. It is found that the ordering of the fluid is in essence governed locally by the packing constraints at each single solid-fluid interface. A simple superposition of forces due to the presence of each surface gives surprisingly good estimates of the density profiles, but there remain nontrivial confinement effects that cannot be explained by superposition, most notably the magnitude of the excess adsorption of particles in the slit relative to bulk.

  19. The benefits of using customized procedure packs.

    Science.gov (United States)

    Baines, R; Colquhoun, G; Jones, N; Bateman, R

    2001-01-01

    Discrete item purchasing is the traditional approach for hospitals to obtain consumable supplies for theatre procedures. Although most items are relatively low cost, the management and co-ordination of the supply chain, raising orders, controlling stock, picking and delivering to each operating theatre can be complex and costly. Customized procedure packs provide a solution.

  20. Crystals in crystals

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Schmidt, I.; Carlsson, A.

    2005-01-01

    A major factor governing the performance of catalytically active particles supported on a zeolite carrier is the degree of dispersion. It is shown that the introduction of noncrystallographic mesopores into zeolite single crystals (silicalite-1, ZSM-5) may increase the degree of particle dispersion....... As representative examples, a metal (Pt), an alloy (PtSn), and a metal carbide (beta-Mo2C) were supported on conventional and mesoporous zeolite carriers, respectively, and the degree of particle dispersion was compared by TEM imaging. On conventional zeolites, the supported material aggregated on the outer surface...

  1. Virtual Crystallizer

    Energy Technology Data Exchange (ETDEWEB)

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  2. single crystals

    Indian Academy of Sciences (India)

    2018-05-18

    May 18, 2018 ... Abstract. 4-Nitrobenzoic acid (4-NBA) single crystals were studied for their linear and nonlinear optical ... studies on the proper growth, linear and nonlinear optical ..... between the optic axes and optic sign of the biaxial crystal.

  3. Crystal Systems.

    Science.gov (United States)

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  4. Predicting Instability Timescales in Closely-Packed Planetary Systems

    Science.gov (United States)

    Tamayo, Daniel; Hadden, Samuel; Hussain, Naireen; Silburt, Ari; Gilbertson, Christian; Rein, Hanno; Menou, Kristen

    2018-04-01

    Many of the multi-planet systems discovered around other stars are maximally packed. This implies that simulations with masses or orbital parameters too far from the actual values will destabilize on short timescales; thus, long-term dynamics allows one to constrain the orbital architectures of many closely packed multi-planet systems. A central challenge in such efforts is the large computational cost of N-body simulations, which preclude a full survey of the high-dimensional parameter space of orbital architectures allowed by observations. I will present our recent successes in training machine learning models capable of reliably predicting orbital stability a million times faster than N-body simulations. By engineering dynamically relevant features that we feed to a gradient-boosted decision tree algorithm (XGBoost), we are able to achieve a precision and recall of 90% on a holdout test set of N-body simulations. This opens a wide discovery space for characterizing new exoplanet discoveries and for elucidating how orbital architectures evolve through time as the next generation of spaceborne exoplanet surveys prepare for launch this year.

  5. Modified strip packing heuristics for the rectangular variable-sized bin packing problem

    Directory of Open Access Journals (Sweden)

    FG Ortmann

    2010-06-01

    Full Text Available Two packing problems are considered in this paper, namely the well-known strip packing problem (SPP and the variable-sized bin packing problem (VSBPP. A total of 252 strip packing heuristics (and variations thereof from the literature, as well as novel heuristics proposed by the authors, are compared statistically by means of 1170 SPP benchmark instances in order to identify the best heuristics in various classes. A combination of new heuristics with a new sorting method yields the best results. These heuristics are combined with a previous heuristic for the VSBPP by the authors to find good feasible solutions to 1357 VSBPP benchmark instances. This is the largest statistical comparison of algorithms for the SPP and the VSBPP to the best knowledge of the authors.

  6. REVIEW: Optics of globular photonic crystals

    Science.gov (United States)

    Gorelik, V. S.

    2007-05-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ~200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported.

  7. Recovery of Third Nerve Palsy after Endovascular Packing of Internal Carotid-Posterior Communicating Artery Aneurysms

    Science.gov (United States)

    Mavilio, N.; Pisani, R.; Rivano, C.; Testa, V.; Spaziante, R.; Rosa, M.

    2000-01-01

    Summary Endovascular packing of intracranial aneurysm with preservation of the parent vessel has become in many cases a valid alternative to surgical clipping. Regression of oculomotor disorders after clipping of internal carotid-posterior communicating artery (ICA-PCoA) aneurysms has been well assessed. This report focuses on the reversal of third nerve palsy after endovascular packing of ICA-PCoA aneurysms. To this end, clinical appearances, neuroradiological features, and endovascular interventional procedures of six treated patient are reported and discussed in the light of the very few previous case observations found in the literature. Results indicate that endovascular packing of ICA-PCoA aneurysms may produce effective recovery of correlated third nerve dysfunction. PMID:20667199

  8. Sclerosing lipogranuloma of the eyelid: unusual complication following nasal packing in endoscopic sinus surgery.

    Science.gov (United States)

    Ramaswamy, Balakrishnan; Singh, Rohit; Manusrut, Manusrut; Hazarika, Manali

    2015-03-06

    An eyelid or orbital lipogranuloma can occur following nasal packing with liquid paraffin, petroleum jelly or an antibiotic-based cream. It usually presents a few weeks or months after the initial procedure. We present a report of three such cases of sclerosing lipogranuloma involving the eyelid, which occurred following a sinonasal surgery where nasal packing using petroleum jelly was performed. The typical clinical course and the classical histopathological features are highlighted. All cases were diagnosed by histopathological examination as sclerosing lipogranuloma. Complete surgical removal resulted in complete resolution on 1 month follow-up. The diagnosis is based on a high degree of suspicion following a detailed history of prior use of lipid-based products for nasal packing following endonasal surgery. Histopathology is diagnostic. Surgical excision is the treatment of choice, however, due to its infiltrative nature, it may be difficult to obtain a complete cure. 2015 BMJ Publishing Group Ltd.

  9. Column-to-column packing variation of disposable pre-packed columns for protein chromatography.

    Science.gov (United States)

    Schweiger, Susanne; Hinterberger, Stephan; Jungbauer, Alois

    2017-12-08

    In the biopharmaceutical industry, pre-packed columns are the standard for process development, but they must be qualified before use in experimental studies to confirm the required performance of the packed bed. Column qualification is commonly done by pulse response experiments and depends highly on the experimental testing conditions. Additionally, the peak analysis method, the variation in the 3D packing structure of the bed, and the measurement precision of the workstation influence the outcome of qualification runs. While a full body of literature on these factors is available for HPLC columns, no comparable studies exist for preparative columns for protein chromatography. We quantified the influence of these parameters for commercially available pre-packed and self-packed columns of disposable and non-disposable design. Pulse response experiments were performed on 105 preparative chromatography columns with volumes of 0.2-20ml. The analyte acetone was studied at six different superficial velocities (30, 60, 100, 150, 250 and 500cm/h). The column-to-column packing variation between disposable pre-packed columns of different diameter-length combinations varied by 10-15%, which was acceptable for the intended use. The column-to-column variation cannot be explained by the packing density, but is interpreted as a difference in particle arrangement in the column. Since it was possible to determine differences in the column-to-column performance, we concluded that the columns were well-packed. The measurement precision of the chromatography workstation was independent of the column volume and was in a range of±0.01ml for the first peak moment and±0.007 ml 2 for the second moment. The measurement precision must be considered for small columns in the range of 2ml or less. The efficiency of disposable pre-packed columns was equal or better than that of self-packed columns. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

  10. Single-Crystal X-ray Structure of Anti-Candida Agent, (E)-3- (1H ...

    African Journals Online (AJOL)

    The molecules are packed in crystal structure by weak non-classical intermolecular ... precipitate the Mannich base hydrochloride 1. Imidazole (2.4 g .... conducted by full- matrix least-squares .... This research project was supported by a grant.

  11. Experimental studies on the coolability of packed beds. Flooding of hot dry packed beds

    International Nuclear Information System (INIS)

    Leininger, S.; Kulenovic, R.; Laurien, E.

    2013-01-01

    In case of a severe accident in a nuclear power plant meltdown of the reactor core can occur and form a packed bed in the lower plenum of the reactor pressure vessel (RPV) after solidification due to contact with water. The removal of after-heat and the long-term coolability is of essential interest. The efficient injection of cooling water into the packed bed has to be assured without endangering the structural integrity of the reactor pressure vessel. The experiments performed aimed to study the dry-out and the quenching (flooding) of hot dry packed beds. Two different inflow variants, bottom- and top-flooding including the variation of the starting temperature of the packed bed and the injection rate were studied. In case of bottom flooding the quenching time increases with increasing packed bed temperature and decreasing injection rate. In case of top flooding the flow pattern is more complex, in a first phase the water flows preferentially toward the RPV wall, the flow paths conduct the water downwards. The flow resistance of the packed bed increases with increasing bed temperatures. The quenching temperatures increase significantly above average.

  12. Heavy metals in the snow pack of Semey town

    International Nuclear Information System (INIS)

    Panin, M.S.; Esenzholova, A.Zh.; Toropov, A.S.

    2008-01-01

    The data about the maintenance of heavy metals in the snow pack in various zones of Semey and biogeochemical operation factors of snow pack in Semey are presented in this work. Also the correlation connection between elements is calculated.

  13. Evaluation of Packed Distillation Columns I - Atmospheric Pressure

    National Research Council Canada - National Science Library

    Reynolds, Thaine

    1951-01-01

    .... Four column-packing combinations of the glass columns and four column-packing combinations of the steel columns were investigated at atmospheric pressure using a test mixture of methylcyclohexane...

  14. Valve-stem-packing improvement study. Final report

    International Nuclear Information System (INIS)

    Adey, C.W.; Klein, J.J.

    1982-08-01

    By employing questionnaires and face-to-face interviews with valve and valve packing manufacturers, as well as nuclear plant personnel, an understanding of valve stem packing leakage problems from each of the three viewpoints was developed. This information, in-house experience, and available technical literature were used to develop specific recommendations for valve manufacturers, valve packing manufacturers, and nuclear plant valve users. It was generally recommended that each these groups make better use of graphite packing. The questionnaires and interviews indicated that increased usage of graphite packing over the last few years has reduced the incidence of valve packing problems. To confirm this, a survey of Licensee Event Reports (LERs) from 1972 to 1980 was undertaken using the keywords Valve and Packing. A statistical analysis of the LER data confirms that the adoption of graphite packing has significantly reduced valve stem leakage

  15. Microbiological Quality of Blister Pack Tablets in Community ...

    African Journals Online (AJOL)

    Keywords: Blister pack, Community pharmacy, Good Manufacturing Practice, Microbial contamination,. Quality control ... High levels of microbial contamination in blister-packed tablets ... and their drugs approved by the Jordan Food and Drug ...

  16. Packing of equal discs on a parabolic spiral lattice

    International Nuclear Information System (INIS)

    Xudong, F.; Bursill, L.A.; Julin, P.

    1989-01-01

    A contact disc model is investigated to determine the most closely-packed parabolic spiral lattice. The most space-efficient packings have divergence angles in agreement with the priority ranking of natural spiral structures

  17. Monomial Crystals and Partition Crystals

    Science.gov (United States)

    Tingley, Peter

    2010-04-01

    Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

  18. Imaging of drug smuggling by body packing.

    Science.gov (United States)

    Sica, Giacomo; Guida, Franco; Bocchini, Giorgio; Iaselli, Francesco; Iadevito, Isabella; Scaglione, Mariano

    2015-02-01

    Body packing, pushing, and stuffing are hazardous practices with complex medicolegal and social implications. A radiologist plays both a social and a medicolegal role in their assessment, and it should not be limited only to the identification of the packages but must also provide accurate information about their number and their exact location so as to prevent any package remains in the body packer. Radiologists must also be able to recognize the complications associated with these risky practices. Imaging assessment of body packing is performed essentially through plain abdominal X-ray and computed tomography scans. Ultrasound and magnetic resonance imaging, although with some advantages, actually have a limited use. Copyright © 2014 Elsevier Inc. All rights reserved.

  19. Packing and Disorder in Substituted Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh

    2016-07-15

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous increase in the variety of derivatives employed in these applications. Here, we use molecular dynamics (MD) simulations to examine the impact of going from mono-adducts to bis- and tris-adducts on the structural, cohesive, and packing characteristics of [6,6]-phenyl-C60-butyric acid methyl ester (PCBM) and indene-C60. The packing configurations obtained at the MD level then serve as input for density functional theory calculations that examine the solid-state energetic disorder (distribution of site energies) as a function of chemical substitution. The variations in structural and site-energy disorders reflect the fundamental materials differences among the derivatives and impact the performance of these materials in thin-film electronic devices.

  20. Homometrism in close-packed structures

    International Nuclear Information System (INIS)

    Mardix, S.

    1990-01-01

    Homometric structures are non-congruent structures having identical X-ray intensity distributions. It has so far been assumed that such structures, while theoretically interesting, would not be realized in practice. Homometrism in close-packed structures is shown to be a realistic possibility. Some general rules applicable to homometric pairs are presented; it is shown that an infinite number of them can be derived from one-dimensional homometric pairs. An exhaustive search of close-packed structures with periods of up to 26 reveals that the smallest period of a homometric pair is 15 and that their number increases rapidly with the period. Homometrism in polytypic structures is further discussed. (orig.)

  1. School meal sociality or lunch pack individualism?

    DEFF Research Database (Denmark)

    Andersen, Sidse Schoubye; Holm, Lotte; Baarts, Charlotte

    2015-01-01

    the social life of a school class, and how these arrangements involve strategies of both inclusion and exclusion. Two types of school meals are compared in the intervention study: a hot meal based on Nordic ingredients and the normal Danish school meal arrangement in which children bring lunch packs...... to school. The study discusses commensality by examining and comparing lunchtime interactions within the same group of children in the two contrasting meal situations. The results fail to confirm the conventional view that shared meals have greater social impacts and benefits than eating individualized...... foods. The article argues that the social entrepreneurship involved in sharing individual lunch packs might even outweigh some of the benefits of shared meals where everyone is served the same food....

  2. 36 CFR 1002.16 - Horses and pack animals.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Horses and pack animals. 1002... AND RECREATION § 1002.16 Horses and pack animals. The following are prohibited: (a) The use of animals other than those designated as “pack animals” for purposes of transporting equipment. (b) The use of...

  3. 36 CFR 34.10 - Saddle and pack animals.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  4. 36 CFR 2.16 - Horses and pack animals.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Horses and pack animals. 2.16... RESOURCE PROTECTION, PUBLIC USE AND RECREATION § 2.16 Horses and pack animals. The following are prohibited: (a) The use of animals other than those designated as “pack animals” for purposes of transporting...

  5. New Structured Packing CUB for Purification of Exhaust Gases

    Directory of Open Access Journals (Sweden)

    Irina Novikova

    2016-10-01

    Full Text Available New structured packing for heat and mass transfer processes named CUB is presented in our article. The packing can be applied in packed towers for exhaust gas cleaning instead random packing, for example, rings type that are the most used in such processes. The advantages of the new packing over random packing are lower pressure drop, capability of purification and as a consequence long-term service of the packing. The researches of intensity of liquid-phase mass-transfer in packed bed depending on liquid spray rate and gas velocity were carried out. Obtained data show that packing CUB is more effective than the most popular type of structured packing under all other conditions being equal. As experimental data shown heat transfer coefficient was up by 17% and mass transfer coefficient was up by 51%. We found out optimal geometry of cross section of the new packing, namely, number of elements and parameters of one element. The new construction of structured packing is applicable for both type of column cross-section round and square.

  6. Packing parameters effect on injection molding of polypropylene nanostructured surfaces

    DEFF Research Database (Denmark)

    Calaon, Matteo; Tosello, Guido; Hansen, Hans Nørgaard

    2012-01-01

    having a diameter of 500 nm was employed. The tool insert surface was produced using chemical-based-batch techniques such aluminum anodization and nickel electroplating. During the injection molding process, polypropylene (PP) was employed as material and packing phase parameters (packing time, packing...

  7. Evaluation of Type II Fast Packs for Electrostatic Discharge Properties.

    Science.gov (United States)

    1983-08-01

    34 x 8" x 1 3/4") consisting of a reclosable cushioned carrier which mates into an outer fiberboard sleeve. A cushioning insert is used consisting of a... RECLOSABLE CUSHIONED CARRIER TEST LOAD FIGURE 1: Cancel Caddy Pack * CONVOLUTED 4* CUSHIONED I FIGURE 2: Type II Fast Pack (PPP-B-1672) TYPE II FAST PACK

  8. 21 CFR 133.124 - Cold-pack cheese food.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 2 2010-04-01 2010-04-01 false Cold-pack cheese food. 133.124 Section 133.124 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD... Cheese and Related Products § 133.124 Cold-pack cheese food. (a)(1) Cold-pack cheese food is the food...

  9. CoolPack – Simulation tools for refrigeration systems

    DEFF Research Database (Denmark)

    Jakobsen, Arne; Rasmussen, Bjarne D.; Andersen, Simon Engedal

    1999-01-01

    CoolPack is a collection of programs used for energy analysis and optimisation of refrigeration systems. CoolPack is developed at the Department of Energy Engineering at the Technical University of Denmark. The Danish Energy Agency finances the project. CoolPack is freeware and can be downloaded...

  10. 48 CFR 552.211-87 - Export packing.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 4 2010-10-01 2010-10-01 false Export packing. 552.211-87... FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text of Provisions and Clauses 552.211-87 Export packing. As prescribed in 511.204(b)(7), insert the following clause: Export Packing (JAN 2010) (a...

  11. Understanding Legacy Features with Featureous

    DEFF Research Database (Denmark)

    Olszak, Andrzej; Jørgensen, Bo Nørregaard

    2011-01-01

    Java programs called Featureous that addresses this issue. Featureous allows a programmer to easily establish feature-code traceability links and to analyze their characteristics using a number of visualizations. Featureous is an extension to the NetBeans IDE, and can itself be extended by third...

  12. Symmetric scrolled packings of multilayered carbon nanoribbons

    Science.gov (United States)

    Savin, A. V.; Korznikova, E. A.; Lobzenko, I. P.; Baimova, Yu. A.; Dmitriev, S. V.

    2016-06-01

    Scrolled packings of single-layer and multilayer graphene can be used for the creation of supercapacitors, nanopumps, nanofilters, and other nanodevices. The full atomistic simulation of graphene scrolls is restricted to consideration of relatively small systems in small time intervals. To overcome this difficulty, a two-dimensional chain model making possible an efficient calculation of static and dynamic characteristics of nanoribbon scrolls with allowance for the longitudinal and bending stiffness of nanoribbons is proposed. The model is extended to the case of scrolls of multilayer graphene. Possible equilibrium states of symmetric scrolls of multilayer carbon nanotribbons rolled up so that all nanoribbons in the scroll are equivalent are found. Dependences of the number of coils, the inner and outer radii, lowest vibrational eigenfrequencies of rolled packages on the length L of nanoribbons are obtained. It is shown that the lowest vibrational eigenfrequency of a symmetric scroll decreases with a nanoribbon length proportionally to L -1. It is energetically unfavorable for too short nanoribbons to roll up, and their ground state is a stack of plane nanoribbons. With an increasing number k of layers, the nanoribbon length L necessary for creation of symmetric scrolls increases. For a sufficiently small number of layers k and a sufficiently large nanoribbon length L, the scrolled packing has the lowest energy as compared to that of stack of plane nanoribbons and folded structures. The results can be used for development of nanomaterials and nanodevices on the basis of graphene scrolled packings.

  13. Systematic comparison of crystal and NMR protein structures deposited in the protein data bank.

    Science.gov (United States)

    Sikic, Kresimir; Tomic, Sanja; Carugo, Oliviero

    2010-09-03

    Nearly all the macromolecular three-dimensional structures deposited in Protein Data Bank were determined by either crystallographic (X-ray) or Nuclear Magnetic Resonance (NMR) spectroscopic methods. This paper reports a systematic comparison of the crystallographic and NMR results deposited in the files of the Protein Data Bank, in order to find out to which extent these information can be aggregated in bioinformatics. A non-redundant data set containing 109 NMR - X-ray structure pairs of nearly identical proteins was derived from the Protein Data Bank. A series of comparisons were performed by focusing the attention towards both global features and local details. It was observed that: (1) the RMDS values between NMR and crystal structures range from about 1.5 Å to about 2.5 Å; (2) the correlation between conformational deviations and residue type reveals that hydrophobic amino acids are more similar in crystal and NMR structures than hydrophilic amino acids; (3) the correlation between solvent accessibility of the residues and their conformational variability in solid state and in solution is relatively modest (correlation coefficient = 0.462); (4) beta strands on average match better between NMR and crystal structures than helices and loops; (5) conformational differences between loops are independent of crystal packing interactions in the solid state; (6) very seldom, side chains buried in the protein interior are observed to adopt different orientations in the solid state and in solution.

  14. Crystal structures of 4-methoxy-N-(4-methylphenylbenzenesulfonamide and N-(4-fluorophenyl-4-methoxybenzenesulfonamide

    Directory of Open Access Journals (Sweden)

    Vinola Z. Rodrigues

    2015-11-01

    Full Text Available Crystal structures of two N-(arylarylsulfonamides, namely, 4-methoxy-N-(4-methylphenylbenzenesulfonamide, C14H15NO3S, (I, and N-(4-fluorophenyl-4-methoxybenzenesulfonamide, C13H12FNO3S, (II, were determined and analyzed. In (I, the benzenesulfonamide ring is disordered over two orientations, in a 0.516 (7:0.484 (7 ratio, which are inclined to each other at 28.0 (1°. In (I, the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19°, while in (II, the planes of the two benzene rings form a dihedral angle of 44.26 (13°. In the crystal structure of (I, N—H...O hydrogen bonds form infinite C(4 chains extended in [010], and intermolecular C—H...πaryl interactions link these chains into layers parallel to the ab plane. The crystal structure of (II features N—H...O hydrogen bonds forming infinite one dimensional C(4 chains along [001]. Further, a pair of C—H...O intermolecular interactions consolidate the crystal packing of (II into a three-dimensional supramolecular architecture.

  15. Device Performance Improvement of Double-Pass Wire Mesh Packed Solar Air Heaters under Recycling Operation Conditions

    Directory of Open Access Journals (Sweden)

    Chii-Dong Ho

    2016-01-01

    Full Text Available The improvement of device performance of a recycling solar air heater featuring a wire mesh packing was investigated experimentally and theoretically. The application of the wire mesh packing and recycle-effect concept to the present study were proposed aiming to strengthen the convective heat-transfer coefficient due to increased turbulence. Comparisons were made among different designs, including the single-pass, flat-plate double-pass and recycling double-pass wire mesh packed operations. The collector efficiency of the recycling double-pass wire mesh packed solar air heater was much higher than that of the other configurations for various recycle ratios and mass flow rates scenarios. The power consumption increment due to implementing wire mesh in solar air heaters was also discussed considering the economic feasibility. A fairly good agreement between theoretical predictions and experimental measurements was achieved with an analyzed error of 1.07%–9.32%.

  16. Ambipolar carrier transport properties and molecular packing structure of octahexyl-substituted copper phthalocyanine

    Science.gov (United States)

    Watanabe, Ken; Watanabe, Koichi; Tohnai, Norimitsu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

    2018-04-01

    The charge carrier mobility of a solution-processable low-molecular-weight organic semiconductor material, i.e., 1,4,8,11,15,18,22,25-octahexylphthalocyanine copper complex (C6PcCu), was investigated by the time-of-flight technique. The anomalous ambipolar carrier mobility was discussed from the viewpoint of the molecular packing structure, which was clarified by single-crystal X-ray structure analysis. In the comparison between the molecular packing structures of C6PcCu and its metal-free-type homologue, it was found that the difference in carrier mobility originates from the rotation of the molecule, which is caused by the steric hindrance due to the introduction of a center metal and the interpenetration of the nonperipheral alkyl chains.

  17. Thermodynamics of the hexagonal close-packed iron-nitrogen system from first-principles

    DEFF Research Database (Denmark)

    Bakkedal, Morten Bjørn

    to hexagonal systems and a numerically tractable extended equation of state is developed to describe thermody-namic equilibrium properties at finite temperature.The model is applied to ε-Fe3N specifically. Through the versatility of the model, equi-librium lattice parameters, the bulk modulus, and the thermal......First-principles thermodynamic models are developed for the hexagonal close-packed ε-Fe-N system. The system can be considered as a hexagonal close-packed host lattice of iron atoms and with the nitrogen atoms residing on a sublattice formed by the octahedral interstices. The iron host lattice...... is assumed fixed.The models are developed entirely from first-principles calculations based on fundamen-tal quantum mechanical calculation through the density functional theory approach with the atomic numbers and crystal structures as the only input parameters. A complete thermody-namic description should...

  18. New raw materials improve packing sealing efficiency

    International Nuclear Information System (INIS)

    Igel, B.; McKeague, L.

    2012-01-01

    End-users and OEM's using or manufacturing on/off and control valves expect a permanent and effective increase in service life together with an increased sealing capability while at the same time minimizing maintenance concerns. Developing materials which provide consistency and repeatability are essential characteristics to optimizing valve performance. “New Generation” materials and yarn allow us to meet this growing demand while complying with the requirements related to chemical purity and an increased level of safety to both plant workers and equipment in the nuclear environment. Through R&D initiatives and developments in new and improved raw materials; a new mechanical packing generation which optimizes friction coefficients and extended life cycle has been introduced to the industry. Lower friction values drastically optimize actuator effort and size improving efficiency for stem operation with significant improvements in flow control of fluids. Combined with new and improved procedures (installation, torque levels and consolidation recommendations), this new packing generation has provided significant improvement in the mechanical behavior of packing materials (independent tests carried out in collaboration with AECL and CETIM) this has provided the opportunity to develop successful Valve Enhancement Programs which offer improved efficiency, valve operation and repeatability. These NEW generation yarns are available with or without wire reinforcement depending on specific operating parameters and conditions. The purpose of this presentation is to demonstrate that new generation material(s). Which are available to the industry for AOV, MOV and Manual valves? - To highlight the steps taken in R&D and manufacturing contributing to the much improved yarns and finished packing products. - Comply and are designed to meet the stringent requirements in the nuclear industry - Simplify valve maintenance without risk to safety or performance - Increase service

  19. The mechanical behaviour of packed particulates

    International Nuclear Information System (INIS)

    Dutton, R.

    1998-01-01

    Within the Canadian Nuclear Fuel Waste Management program, the central concept is to package used fuel in containers that would be deposited in an underground vault in a plutonic rock formation. To provide internal mechanical support for the container, the reference design specifies it to be filled with a matrix of compacted particulate material (called 'packed particulate'), such as quartz sand granules. The focus of this report is on the mechanical properties of the packed-particulate material, based on information drawn from the extant literature. We first consider the packing density of particulate matrices to minimize the remnant porosity and maximize mechanical stability under conditions of external pressure. Practical methods, involving vibratory packing, are reviewed and recommendations made to select techniques to achieve optimum packing density. The behaviour of particulates under compressive loading has been of interest to the powder metallurgy industry (i.e., the manufacture of products from pressed/sintered metal and ceramic powders) since the early decades of this century. We review the evidence showing that in short timescales, stress induced compaction occurs by particle shuffling and rearrangement, elastic distortion, plastic yielding and microfracturing. Analytical expressions are available to describe these processes in a semiquantitative fashion. Time-dependent compaction, mainly via creep mechanisms, is more complex. Much of the theoretical and experimental information is confined to higher temperatures (> 500 degrees C), where deformation rates are more rapid. Thus, for the relatively low ambient temperatures of the waste container (∼100 degrees C), we require analytical techniques to extrapolate the collective particulate creep behaviour. This is largely accomplished by employing current theories of creep deformation, particularly in the form of Deformation Mechanism Maps, which allow estimation of creep rates over a wide range of stress

  20. The mechanical behaviour of packed particulates

    Energy Technology Data Exchange (ETDEWEB)

    Dutton, R

    1998-01-01

    Within the Canadian Nuclear Fuel Waste Management program, the central concept is to package used fuel in containers that would be deposited in an underground vault in a plutonic rock formation. To provide internal mechanical support for the container, the reference design specifies it to be filled with a matrix of compacted particulate material (called 'packed particulate'), such as quartz sand granules. The focus of this report is on the mechanical properties of the packed-particulate material, based on information drawn from the extant literature. We first consider the packing density of particulate matrices to minimize the remnant porosity and maximize mechanical stability under conditions of external pressure. Practical methods, involving vibratory packing, are reviewed and recommendations made to select techniques to achieve optimum packing density. The behaviour of particulates under compressive loading has been of interest to the powder metallurgy industry (i.e., the manufacture of products from pressed/sintered metal and ceramic powders) since the early decades of this century. We review the evidence showing that in short timescales, stress induced compaction occurs by particle shuffling and rearrangement, elastic distortion, plastic yielding and microfracturing. Analytical expressions are available to describe these processes in a semiquantitative fashion. Time-dependent compaction, mainly via creep mechanisms, is more complex. Much of the theoretical and experimental information is confined to higher temperatures (> 500 degrees C), where deformation rates are more rapid. Thus, for the relatively low ambient temperatures of the waste container ({approx}100 degrees C), we require analytical techniques to extrapolate the collective particulate creep behaviour. This is largely accomplished by employing current theories of creep deformation, particularly in the form of Deformation Mechanism Maps, which allow estimation of creep rates over a wide

  1. HETP evaluation of structured packing distillation column

    Directory of Open Access Journals (Sweden)

    A. E. Orlando Jr.

    2009-09-01

    Full Text Available Several tests with a hydrocarbon mixture of known composition (C8-C14, obtained from DETEN Chemistry S.A., have been performed in a laboratory distillation column, having 40mm of nominal diameter and 2.2m high, with internals of Sulzer DX gauze stainless steel structured packing. The main purpose of this work was to evaluate HETP of a structured packing laboratory scale distillation column, operating continuously. Six HETP correlations available in the literature were compared in order to find out which is the most appropriate for structured packing columns working with medium distillates. Prior to the experimental tests, simulation studies using commercial software PRO/II® were performed in order to establish the optimum operational conditions for the distillation, especially concerning operating pressure, top and bottom temperatures, feed location and reflux ratio. The results of PRO/II® were very similar to the analysis of the products obtained during continuous operation, therefore permitting the use of the properties calculated by that software on the theoretical models investigated. The theoretical models chosen for HETP evaluation were: Bravo, Rocha and Fair (1985; Rocha, Bravo and Fair (1993, 1996; Brunazzi and Pagliant (1997; Carlo, Olujić and Pagliant (2006; Olujić et al., (2004. Modifications concerning calculation of specific areas were performed on the correlations in order to fit them for gauze packing HETP evaluation. As the laboratory distillation column was operated continuously, different HETP values were found by the models investigated for each section of the column. The low liquid flow rates in the top section of the column are a source of error for HETP evaluation by the models; therefore, more reliable HETP values were found in the bottom section, in which liquid flow rates were much greater. Among the theoretical models, Olujić et al. (2004 has shown good results relative to the experimental tests. In addition, the

  2. RNA Crystallization

    Science.gov (United States)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  3. Feature Article

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. Feature Article. Articles in Resonance – Journal of Science Education. Volume 1 Issue 1 January 1996 pp 80-85 Feature Article. What's New in Computers Windows 95 · Vijnan Shastri · More Details Fulltext PDF. Volume 1 Issue 1 January 1996 pp 86-89 Feature ...

  4. A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

    Science.gov (United States)

    Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

    2013-04-01

    Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

  5. Crystallization mechanisms of acicular crystals

    Science.gov (United States)

    Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

    2008-01-01

    In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

  6. Internal states of model isotropic granular packings. I. Assembling process, geometry, and contact networks.

    Science.gov (United States)

    Agnolin, Ivana; Roux, Jean-Noël

    2007-12-01

    This is the first paper of a series of three, in which we report on numerical simulation studies of geometric and mechanical properties of static assemblies of spherical beads under an isotropic pressure. The influence of various assembling processes on packing microstructures is investigated. It is accurately checked that frictionless systems assemble in the unique random close packing (RCP) state in the low pressure limit if the compression process is fast enough, higher solid fractions corresponding to more ordered configurations with traces of crystallization. Specific properties directly related to isostaticity of the force-carrying structure in the rigid limit are discussed. With frictional grains, different preparation procedures result in quite different inner structures that cannot be classified by the sole density. If partly or completely lubricated they will assemble like frictionless ones, approaching the RCP solid fraction Phi_{RCP} approximately 0.639 with a high coordination number: z* approximately =6 on the force-carrying backbone. If compressed with a realistic coefficient of friction mu=0.3 packings stabilize in a loose state with Phi approximately 0.593 and z* approximately =4.5 . And, more surprisingly, an idealized "vibration" procedure, which maintains an agitated, collisional regime up to high densities results in equally small values of z* while Phi is close to the maximum value Phi_{RCP}. Low coordination packings have a large proportion (>10%) of rattlers--grains carrying no force--the effect of which should be accounted for on studying position correlations, and also contain a small proportion of localized "floppy modes" associated with divalent grains. Low-pressure states of frictional packings retain a finite level of force indeterminacy even when assembled with the slowest compression rates simulated, except in the case when the friction coefficient tends to infinity. Different microstructures are characterized in terms of near

  7. Comparing side chain packing in soluble proteins, protein-protein interfaces, and transmembrane proteins.

    Science.gov (United States)

    Gaines, J C; Acebes, S; Virrueta, A; Butler, M; Regan, L; O'Hern, C S

    2018-05-01

    We compare side chain prediction and packing of core and non-core regions of soluble proteins, protein-protein interfaces, and transmembrane proteins. We first identified or created comparable databases of high-resolution crystal structures of these 3 protein classes. We show that the solvent-inaccessible cores of the 3 classes of proteins are equally densely packed. As a result, the side chains of core residues at protein-protein interfaces and in the membrane-exposed regions of transmembrane proteins can be predicted by the hard-sphere plus stereochemical constraint model with the same high prediction accuracies (>90%) as core residues in soluble proteins. We also find that for all 3 classes of proteins, as one moves away from the solvent-inaccessible core, the packing fraction decreases as the solvent accessibility increases. However, the side chain predictability remains high (80% within 30°) up to a relative solvent accessibility, rSASA≲0.3, for all 3 protein classes. Our results show that ≈40% of the interface regions in protein complexes are "core", that is, densely packed with side chain conformations that can be accurately predicted using the hard-sphere model. We propose packing fraction as a metric that can be used to distinguish real protein-protein interactions from designed, non-binding, decoys. Our results also show that cores of membrane proteins are the same as cores of soluble proteins. Thus, the computational methods we are developing for the analysis of the effect of hydrophobic core mutations in soluble proteins will be equally applicable to analyses of mutations in membrane proteins. © 2018 Wiley Periodicals, Inc.

  8. Structural characterization of the packings of granular regular polygons.

    Science.gov (United States)

    Wang, Chuncheng; Dong, Kejun; Yu, Aibing

    2015-12-01

    By using a recently developed method for discrete modeling of nonspherical particles, we simulate the random packings of granular regular polygons with three to 11 edges under gravity. The effects of shape and friction on the packing structures are investigated by various structural parameters, including packing fraction, the radial distribution function, coordination number, Voronoi tessellation, and bond-orientational order. We find that packing fraction is generally higher for geometrically nonfrustrated regular polygons, and can be increased by the increase of edge number and decrease of friction. The changes of packing fraction are linked with those of the microstructures, such as the variations of the translational and orientational orders and local configurations. In particular, the free areas of Voronoi tessellations (which are related to local packing fractions) can be described by log-normal distributions for all polygons. The quantitative analyses establish a clearer picture for the packings of regular polygons.

  9. Viscoelastic gravel-pack carrier fluid

    International Nuclear Information System (INIS)

    Nehmer, W.L.

    1988-01-01

    The ability of a fluid to flow adequately into the formation during gravel-pack treatments is critical to achieving a good pack. Recent studies have indicated ''fish-eyes'' and/or ''microgels'' present in many polymer gelled carrier fluids will plug pore throats, leading to impaired leakoff and causing formation damage. Intensive manipulation of the polymer gelled fluid using shear and filter devices will help remove the particles, but it adds to the cost of the treatment in terms of equipment and manpower. Excessive shear will degrade the polymer leading to poor gravel suspension, while too little shear will cause filtration problems. A gelled carried fluid using a viscoelastic surfactant system has been found to leak off very efficiently to the formation, and cause no formation damage, without the use of shear/filter devices. Viscoelastic surfactant-base gelled fluids develop viscosity because of the association of surfactant moloecules into large rod-shaped aggregates. There is no hydration of polymer involved, so fish-eyes and microgels will not be formed in the viscoelastic fluid. A surfactant-base system having a yield point allows the gravel carrying properties to be much better than fluids gelled with conventional polymer systems (hydroxyethylcellulose [HEC]). For example, a gravel carried fluid gelled with 80 lb HEC/1,000 gal has a viscosity of about 400 cp at 170 sec/sup -1/; a viscoelastic surfactant-base system having only one-half the viscosity still flows into cores about four times more efficiently than the HEC-base fluid. The rheology, leakoff, formation damage and mixing properties of a viscoelastic, surfactant-base, gravel-pack carrier fluid are discussed

  10. Comparing Online Algorithms for Bin Packing Problems

    DEFF Research Database (Denmark)

    Epstein, Leah; Favrholdt, Lene Monrad; Kohrt, Jens Svalgaard

    2012-01-01

    The relative worst-order ratio is a measure of the quality of online algorithms. In contrast to the competitive ratio, this measure compares two online algorithms directly instead of using an intermediate comparison with an optimal offline algorithm. In this paper, we apply the relative worst-ord......-order ratio to online algorithms for several common variants of the bin packing problem. We mainly consider pairs of algorithms that are not distinguished by the competitive ratio and show that the relative worst-order ratio prefers the intuitively better algorithm of each pair....

  11. PEBBLES: A COMPUTER CODE FOR MODELING PACKING, FLOW AND RECIRCULATIONOF PEBBLES IN A PEBBLE BED REACTOR

    Energy Technology Data Exchange (ETDEWEB)

    Joshua J. Cogliati; Abderrafi M. Ougouag

    2006-10-01

    A comprehensive, high fidelity model for pebble flow has been developed and embodied in the PEBBLES computer code. In this paper, a description of the physical artifacts included in the model is presented and some results from using the computer code for predicting the features of pebble flow and packing in a realistic pebble bed reactor design are shown. The sensitivity of models to various physical parameters is also discussed.

  12. Contaminant bacteria in traditional-packed honey

    Directory of Open Access Journals (Sweden)

    Hening Tjaturina Pramesti

    2007-03-01

    Full Text Available Honey may be contaminated by microorganisms during its harvesting, processing, and packaging. Honey selected for clinical purposes must safe, sterile, and contain antimicrobial activity, so it must be evaluated using laboratory testing. The aim of this descriptive laboratory study was to isolate and identify the bacterial contaminant in the traditional-packed honey dealing with the use of honey for medical purposes. the colony forming units of honey sample cultured on blood agar were counted using Stuart bacterial colony counter. The suspected bacterial colonies were isolated and identified based on cultural morphology characteristics. The isolates of suspected bacterial colonies were stained according to Gram and Klein method and then were examined by the biochemical reaction. The results showed that there were two contaminant bacteria. Gram-positive cocci which were presumptively identified as coagulase-negative Staphylococci and gram-positive rods which were presumptively identified as Bacillus subtilis. In conclusion, the contaminant bacteria were regarded as low pathogen bacteria. The subtilin enzyme of B subtilis may cause an allergic reaction and coagulase-negative Staphylococci, Staphylococcus epidermidis is also an opportunist pathogen. Inevitably, for medical purposes, traditional-packed honey must be well filtered, water content above 18%, and standardized sterilization without loss of an antibacterial activity or change in properties.

  13. Mechanised packing for longwall coal faces. Monolithic packing and powered supports for the packhole

    Energy Technology Data Exchange (ETDEWEB)

    Carr, F; Kitching, F

    1978-11-01

    If full advantage is to be taken of the great advances that have taken place in power loading and powered support at the coalface, other operations in that vicinity must be similarly mechanised and automated. The gateside packing is one of the most important of these ancillary operations on the longwall face, and in previous articles F. Carr and F. Kitching, National Coal Board Headquarters, Coalface Operations Mining Engineers have given a very comprehensive resume of the present situation. Subjects covered include the requirements of mechanised packing, the parameters involved, the various working arrangements, the different systems of gate-ends, the types of equipment that are being used, their characteristics, the spread of their application, and the results obtained from them. In this article the authors conclude their survey by dealing with dirt/cement and anhydrite packing, by taking a hard look at powered supports for the packhole, and by expressing their views on the way mechanised packing may be expected to develop in the future.

  14. Solid state structural investigations of the bis(chalcone) compound with single crystal X-ray crystallography, DFT, gamma-ray spectroscopy and chemical spectroscopy methods

    Science.gov (United States)

    Yakalı, Gül; Biçer, Abdullah; Eke, Canel; Cin, Günseli Turgut

    2018-04-01

    A bis(chalcone), (2E,6E)-2,6-bis((E)-3phenylallidene)cyclohexanone, was characterized by 1H NMR, 13C NMR, FTIR, UV-Vis spectroscopy, gamma-ray spectroscopy and single crystal X- ray structural analysis. The optimized molecular structure of the compound is calculated using DFT/B3LYP with 6-31G (d,p) level. The calculated geometrical parameters are in good agreement with the experimental data obtained from our reported X-ray structure. The powder and single crystal compounds were gama-irradiated using clinical electron linear accelerator and 60Co gamma-ray source, respectively. Spectral studies (1H NMR, 13C NMR, FTIR and UV-Vis) of powder chalcone compound were also investigated before and after irradiation. Depending on the irradiation notable changes were observed in spectral features powder sample. Single crystal X-ray diffraction investigation shows that both unirradiated and irradiated single crystal samples crystallizes in a orthorhombic crystal system in the centrosymmetric space group Pbcn and exhibits an C-H..O intramolecular and intermolecular hydrogen bonds. The crystal packing is stabilised by strong intermolecular bifurcate C-H..O hydrogen bonds and π…π stacking interactions. The asymmetric unit of the title compound contains one-half of a molecule. The other half of the molecule is generated with (1-x,y,-3/2-z) symmetry operator. The molecule is almost planar due to having π conjugated system of chalcones. However, irradiated single crystal compound showed significant changes lattice parameters, crystal volume and density. According to results of gamma-ray spectroscopy, radioactive elements of powder compound which are 123Sb(n,g),124Sb,57Fe(g,p),56Mn, 55Mn(g,n), and 54Mn were determined using photoactivation analysis. However, the most intensive gamma-ray energy signals are 124Sb.

  15. Crystallization in metglass: growth mechanism of crystals and radiation effects in Fe Ni P B

    International Nuclear Information System (INIS)

    Limoge, Y.; Barbu, A.

    1981-08-01

    Studying crystallization mechanisms and transport properties in amorphous metallic alloys we propose a model for systems wich are displaying eutectoid decomposition. Bringing together self diffusion, electron microscopy and electron irradiation experiments on a Fe Ni P B alloys we have shown that crystallization controlled by interfacial diffusion at the crystal surface can explain all the observed features of the experimental behaviour

  16. Simulation of abuse tolerance of lithium-ion battery packs

    Energy Technology Data Exchange (ETDEWEB)

    Spotnitz, Robert M.; Weaver, James; Yeduvaka, Gowri [Battery Design LLC, 2277 DeLucchi Drive, Pleasanton, CA 94588 (United States); Doughty, D.H.; Roth, E.P. [Lithium Battery Department, Sandia National Laboratories, Albuquerque, NM 87185 (United States)

    2007-01-01

    A simple approach for using accelerating rate calorimetry data to simulate the thermal abuse resistance of battery packs is described. The thermal abuse tolerance of battery packs is estimated based on the exothermic behavior of a single cell and an energy balance than accounts for radiative, conductive, and convective heat transfer modes of the pack. For the specific example of a notebook computer pack containing eight 18650-size cells, the effects of cell position, heat of reaction, and heat-transfer coefficient are explored. Thermal runaway of the pack is more likely to be induced by thermal runaway of a single cell when that cell is in good contact with other cells and is close to the pack wall. (author)

  17. Crystal structure of ethyl (2Z-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-ylamino]prop-2-enoate

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2014-11-01

    Full Text Available The title compound, C16H16N4O2, crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2:0.201 (2 ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two molecules, as indicated by the syn N—N—Car—Car (ar = aromatic torsion angles of 39.7 (2 and −36.9 (2°. Each molecule features an intramolecular N—H...O hydrogen bond, which closes an S(6 ring. In the crystal, C—H...O and C—H...N interactions direct the packing into a layered structure parallel to (110.

  18. The contribution of polystyrene nanospheres towards the crystallization of proteins.

    Directory of Open Access Journals (Sweden)

    Johanna M Kallio

    Full Text Available BACKGROUND: Protein crystallization is a slow process of trial and error and limits the amount of solved protein structures. Search of a universal heterogeneous nucleant is an effort to facilitate crystallizability of proteins. METHODOLOGY: The effect of polystyrene nanospheres on protein crystallization were tested with three commercial proteins: lysozyme, xylanase, xylose isomerase, and with five research target proteins: hydrophobins HFBI and HFBII, laccase, sarcosine dimethylglycine N-methyltransferase (SDMT, and anti-testosterone Fab fragment 5F2. The use of nanospheres both in screening and as an additive for known crystallization conditions was studied. In screening, the addition of an aqueous solution of nanosphere to the crystallization drop had a significant positive effect on crystallization success in comparison to the control screen. As an additive in hydrophobin crystallization, the nanospheres altered the crystal packing, most likely due to the amphiphilic nature of hydrophobins. In the case of laccase, nanospheres could be used as an alternative for streak-seeding, which insofar had remained the only technique to produce high-diffracting crystals. With methyltransferase SDMT the nanospheres, used also as an additive, produced fewer, larger crystals in less time. Nanospheres, combined with the streak-seeding method, produced single 5F2 Fab crystals in shorter equilibration times. CONCLUSIONS: All in all, the use of nanospheres in protein crystallization proved to be beneficial, both when screening new crystallization conditions to promote nucleation and when used as an additive to produce better quality crystals, faster. The polystyrene nanospheres are easy to use, commercially available and close to being inert, as even with amphiphilic proteins only the crystal packing is altered and the nanospheres do not interfere with the structure and function of the protein.

  19. Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices

    OpenAIRE

    Ke, Yonggang; Voigt, Niels V.; Gothelf, Kurt V.; Shih, William M.

    2012-01-01

    “Scaffolded DNA origami” has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher r...

  20. Molecular Packing of Amphiphilic Nanosheets Resolved by X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Harutyunyan, Boris; Dannenhoffer, Adam; Kewalramani, Sumit; Aytun, Taner; Fairfield, Daniel J.; Stupp, Samuel I.; Bedzyk, Michael J. (NWU)

    2016-12-29

    Molecular packing in light harvesting 2D assemblies of photocatalytic materials is a critical factor for solar-to-fuel conversion efficiency. However, structure–function correlations have yet to be fully established. This is partly due to the difficulties in extracting the molecular arrangements from the complex 3D powder averaged diffraction patterns of 2D lattices, obtained via in situ wide-angle X-ray scattering. Here, we develop a scattering theory formalism and couple it with a simple geometrical model for the molecular shape of chromophore 9-methoxy-N-(sodium hexanoate)perylene-3,4-dicarboximide (MeO-PMI) used in our study. This generally applicable method fully reproduces the measured diffraction pattern including the asymmetric line shapes for the Bragg reflections and yields the molecular packing arrangement within a 2D crystal structure with a remarkable degree of detail. We find an approximate edge-centered herringbone structure for the PMI fused aromatic rings and ordering of the carboxypentyl chains above and below the nanosheets. Such a packing arrangement differs from the more symmetric face-to-face orientation of the unsubstituted PMI rings. This structural difference is correlated to our measurement of the reduced catalytic performance of MeO-PMI nanosheets as compared to the mesoscopically similar unsubstituted PMI assemblies.

  1. Virtual modeling of polycrystalline structures of materials using particle packing algorithms and Laguerre cells

    Science.gov (United States)

    Morfa, Carlos Recarey; Farias, Márcio Muniz de; Morales, Irvin Pablo Pérez; Navarra, Eugenio Oñate Ibañez de; Valera, Roberto Roselló

    2018-04-01

    The influence of the microstructural heterogeneities is an important topic in the study of materials. In the context of computational mechanics, it is therefore necessary to generate virtual materials that are statistically equivalent to the microstructure under study, and to connect that geometrical description to the different numerical methods. Herein, the authors present a procedure to model continuous solid polycrystalline materials, such as rocks and metals, preserving their representative statistical grain size distribution. The first phase of the procedure consists of segmenting an image of the material into adjacent polyhedral grains representing the individual crystals. This segmentation allows estimating the grain size distribution, which is used as the input for an advancing front sphere packing algorithm. Finally, Laguerre diagrams are calculated from the obtained sphere packings. The centers of the spheres give the centers of the Laguerre cells, and their radii determine the cells' weights. The cell sizes in the obtained Laguerre diagrams have a distribution similar to that of the grains obtained from the image segmentation. That is why those diagrams are a convenient model of the original crystalline structure. The above-outlined procedure has been used to model real polycrystalline metallic materials. The main difference with previously existing methods lies in the use of a better particle packing algorithm.

  2. A BaF2 crystal array for high energy -ray measurements

    Indian Academy of Sciences (India)

    A very well-known such array is called two-arm-photon- spectrometer (TAPS) [1]. It consists of large (25 cm long) hexagonal BaF¾ crystals ar- ranged in packs of 64 crystals. ... light which may not reach the photomultiplier tube. A sketch of the ...

  3. Max–min Bin Packing Algorithm and its application in nano-particles filling

    International Nuclear Information System (INIS)

    Zhu, Dingju

    2016-01-01

    With regard to existing bin packing algorithms, higher packing efficiency often leads to lower packing speed while higher packing speed leads to lower packing efficiency. Packing speed and packing efficiency of existing bin packing algorithms including NFD, NF, FF, FFD, BF and BFD correlates negatively with each other, thus resulting in the failure of existing bin packing algorithms to satisfy the demand of nano-particles filling for both high speed and high efficiency. The paper provides a new bin packing algorithm, Max–min Bin Packing Algorithm (MM), which realizes both high packing speed and high packing efficiency. MM has the same packing speed as NFD (whose packing speed ranks no. 1 among existing bin packing algorithms); in case that the size repetition rate of objects to be packed is over 5, MM can realize almost the same packing efficiency as BFD (whose packing efficiency ranks No. 1 among existing bin packing algorithms), and in case that the size repetition rate of objects to be packed is over 500, MM can achieve exactly the same packing efficiency as BFD. With respect to application of nano-particles filling, the size repetition rate of nano particles to be packed is usually in thousands or ten thousands, far higher than 5 or 500. Consequently, in application of nano-particles filling, the packing efficiency of MM is exactly equal to that of BFD. Thus the irreconcilable conflict between packing speed and packing efficiency is successfully removed by MM, which leads to MM having better packing effect than any existing bin packing algorithm. In practice, there are few cases when the size repetition of objects to be packed is lower than 5. Therefore the MM is not necessarily limited to nano-particles filling, and can also be widely used in other applications besides nano-particles filling. Especially, MM has significant value in application of nano-particles filling such as nano printing and nano tooth filling.

  4. Meromorphic Vector Fields and Circle Packings

    DEFF Research Database (Denmark)

    Dias, Kealey

    The objective of the Ph.D. project is to initiate a classification of bifurcations of meromorphic vector fields and to clarify their relation to circle packings. Technological applications are to image analysis and to effective grid generation using discrete conformal mappings. The two branches...... of dynamical systems, continuous and discrete, correspond to the study of differential equations (vector fields) and iteration of mappings respectively. In holomorphic dynamics, the systems studied are restricted to those described by holomorphic (complex analytic) functions or meromorphic (allowing poles...... as singularities) functions. There already exists a well-developed theory for iterative holomorphic dynamical systems, and successful relations found between iteration theory and flows of vector fields have been one of the main motivations for the recent interest in holomorphic vector fields. Restricting...

  5. Hyperstaticity and loops in frictional granular packings

    Science.gov (United States)

    Tordesillas, Antoinette; Lam, Edward; Metzger, Philip T.

    2009-06-01

    The hyperstatic nature of granular packings of perfectly rigid disks is analyzed algebraically and through numerical simulation. The elementary loops of grains emerge as a fundamental element in addressing hyperstaticity. Loops consisting of an odd number of grains behave differently than those with an even number. For odd loops, the latent stresses are exterior and are characterized by the sum of frictional forces around each loop. For even loops, the latent stresses are interior and are characterized by the alternating sum of frictional forces around each loop. The statistics of these two types of loop sums are found to be Gibbsian with a "temperature" that is linear with the friction coefficient μ when μ<1.

  6. New Packing Structure of Concentration Solar Receiver

    International Nuclear Information System (INIS)

    Tsai, Shang-Yu; Lee, Yueh-Mu; Shih, Zun-Hao; Hong, Hwen-Fen; Shin, Hwa-Yuh; Kuo, Cherng-Tsong

    2010-01-01

    This paper presents a solution to the temperature issue in High Concentration Photovoltaic (HCPV) module device by using different thermal conductive material and packing structure. In general, the open-circuited voltage of a device reduces with the increase of temperature and therefore degrades its efficiency. The thermal conductive material we use in this paper, silicon, has a high thermal conductive coefficient (149 W/m·K) and steady semiconductor properties which are suitable for the application of solar receiver in HCPV module. Solar cell was soldered on a metal-plated Si substrate with a thicker SiO 2 film which acts as an insulating layer. Then it was mounted on an Al-based plate to obtain a better heat dissipating result.

  7. Slow creep in soft granular packings.

    Science.gov (United States)

    Srivastava, Ishan; Fisher, Timothy S

    2017-05-14

    Transient creep mechanisms in soft granular packings are studied numerically using a constant pressure and constant stress simulation method. Rapid compression followed by slow dilation is predicted on the basis of a logarithmic creep phenomenon. Characteristic scales of creep strain and time exhibit a power-law dependence on jamming pressure, and they diverge at the jamming point. Microscopic analysis indicates the existence of a correlation between rheology and nonaffine fluctuations. Localized regions of large strain appear during creep and grow in magnitude and size at short times. At long times, the spatial structure of highly correlated local deformation becomes time-invariant. Finally, a microscale connection between local rheology and local fluctuations is demonstrated in the form of a linear scaling between granular fluidity and nonaffine velocity.

  8. Feature Extraction

    CERN Document Server

    CERN. Geneva

    2015-01-01

    Feature selection and reduction are key to robust multivariate analyses. In this talk I will focus on pros and cons of various variable selection methods and focus on those that are most relevant in the context of HEP.

  9. Solar Features

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Collection includes a variety of solar feature datasets contributed by a number of national and private solar observatories located worldwide.

  10. Site Features

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset consists of various site features from multiple Superfund sites in U.S. EPA Region 8. These data were acquired from multiple sources at different times...

  11. Goos-Haenchen shift in complex crystals

    Energy Technology Data Exchange (ETDEWEB)

    Longhi, Stefano; Della Valle, Giuseppe; Staliunas, Kestutis [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Departament de Fisica i Enginyeria Nuclear, Instituci Catalana de Recerca i Estudis Avanats (ICREA), Universitat Politcnica de Catalunya, Colom 11, E-08222 Terrassa, Barcelona (Spain)

    2011-10-15

    The Goos-Haenchen (GH) effect for wave scattering from complex PT-symmetric periodic potentials (complex crystals) is theoretically investigated, with specific reference to optical GH shift in photonic crystal slabs with a sinusoidal periodic modulation of both real and imaginary parts of the dielectric constant. The analysis highlights some distinct and rather unique features as compared to the GH shift found in ordinary crystals. In particular, as opposed to GH shift in ordinary crystals, which is large at the band gap edges, in complex crystals the GH shift can be large inside the reflection (amplification) band and becomes extremely large as the PT symmetry-breaking threshold is approached.

  12. Characterization of maximally random jammed sphere packings. III. Transport and electromagnetic properties via correlation functions

    Science.gov (United States)

    Klatt, Michael A.; Torquato, Salvatore

    2018-01-01

    In the first two papers of this series, we characterized the structure of maximally random jammed (MRJ) sphere packings across length scales by computing a variety of different correlation functions, spectral functions, hole probabilities, and local density fluctuations. From the remarkable structural features of the MRJ packings, especially its disordered hyperuniformity, exceptional physical properties can be expected. Here we employ these structural descriptors to estimate effective transport and electromagnetic properties via rigorous bounds, exact expansions, and accurate analytical approximation formulas. These property formulas include interfacial bounds as well as universal scaling laws for the mean survival time and the fluid permeability. We also estimate the principal relaxation time associated with Brownian motion among perfectly absorbing traps. For the propagation of electromagnetic waves in the long-wavelength limit, we show that a dispersion of dielectric MRJ spheres within a matrix of another dielectric material forms, to a very good approximation, a dissipationless disordered and isotropic two-phase medium for any phase dielectric contrast ratio. We compare the effective properties of the MRJ sphere packings to those of overlapping spheres, equilibrium hard-sphere packings, and lattices of hard spheres. Moreover, we generalize results to micro- and macroscopically anisotropic packings of spheroids with tensorial effective properties. The analytic bounds predict the qualitative trend in the physical properties associated with these structures, which provides guidance to more time-consuming simulations and experiments. They especially provide impetus for experiments to design materials with unique bulk properties resulting from hyperuniformity, including structural-color and color-sensing applications.

  13. Mobile Augmented Reality Support for Architects Based on Feature Tracking Techniques

    DEFF Research Database (Denmark)

    Bang Nielsen, Michael; Kramp, Gunnar; Grønbæk, Kaj

    2004-01-01

    on the horizon view from an office building, while working on a courtyard garden proposal. The SitePack applies a novel combination of GPS tracking and vision based feature tracking in its support for architects. The SitePack requires no preparation of the site and combines and extends the strengths of previous...

  14. New series of paper pack vending machines; Paper pack jido hanbaiki no shin series

    Energy Technology Data Exchange (ETDEWEB)

    Ohashi, M. [Fuji Denki Reiki Co. Ltd., Tokyo (Japan); Umino, S. [Fuji Electric Co. Ltd., Tokyo (Japan)

    1996-07-10

    This paper presents series of paper pack vending machines. These machines may be broadly classified into those of cold drinks and of hot and cold drinks depending on the storage temperature of products. The former is the machine for cooling dairy products at 10{degree}C with a combined stacking by direct-stacked racks and chain-multiracks. The latter is provided with divided storing chambers with each chamber selectively cooled or heated. Products in the hot chamber are canned coffee and the like set at 55{degree}C. The temperature control is performed by a microcomputer. The chain-multiracks are provided with advantages such as capability of handling various kinds of container shapes, storing drinks and foods vertically, replacing products by the change of a shelf attachment with one operation, and storing one liter packs by setting pair columns. The direct-stacked racks are provided with advantages such as versatility of handling various kinds of containers and miniaturization of the mechanism other than the storage part. The installation space was reduced by devising the opening and closing of the door. The control part is capable of setting temperatures differently for cans and paper packs. 7 figs., 1 tab.

  15. Measured Black Carbon Deposition on the Sierra Nevada Snow Pack and Implication for Snow Pack Retreat

    Energy Technology Data Exchange (ETDEWEB)

    Hadley, O.L.; Corrigan, C.E.; Kirchstetter, T.W.; Cliff, S.S.; Ramanathan, V.

    2010-01-12

    Modeling studies show that the darkening of snow and ice by black carbon deposition is a major factor for the rapid disappearance of arctic sea ice, mountain glaciers and snow packs. This study provides one of the first direct measurements for the efficient removal of black carbon from the atmosphere by snow and its subsequent deposition to the snow packs of California. The early melting of the snow packs in the Sierras is one of the contributing factors to the severe water problems in California. BC concentrations in falling snow were measured at two mountain locations and in rain at a coastal site. All three stations reveal large BC concentrations in precipitation, ranging from 1.7 ng/g to 12.9 ng/g. The BC concentrations in the air after the snow fall were negligible suggesting an extremely efficient removal of BC by snow. The data suggest that below cloud scavenging, rather than ice nuclei, was the dominant source of BC in the snow. A five-year comparison of BC, dust, and total fine aerosol mass concentrations at multiple sites reveals that the measurements made at the sampling sites were representative of large scale deposition in the Sierra Nevada. The relative concentration of iron and calcium in the mountain aerosol indicates that one-quarter to one-third of the BC may have been transported from Asia.

  16. Precipitation of sparingly soluble salts in packed sandbeds

    Science.gov (United States)

    Pavlakou, Efstathia I.; Sygouni, Varvara; Paraskeva, Christakis A.

    2015-04-01

    One of the main problems encountered by the oil extraction industry, is the reduction of the local permeability of the rock formation near the extraction wells because of salt deposition in the pores of the rocks during the injection of brine water to displace the trapped oil ganglia within the oil formations. This phenomenon makes the oil recovery less efficient and under extreme cases the well is abandoned with a large amount of oil entrapped. Several detailed studies have been conducted in the past concerning sand bed consolidation using sparingly soluble salts for varying conditions (e.g. temperature, grain size, sand type, salt concentrations etc) and various salts [1]. Nevertheless, salt precipitation in the rock formation pores under the presence of other miscible or immiscible substances with water has not been investigated in details yet. In the present study, salt (CaCO3) precipitation experiments were performed in small beds packed with sea sand mixed with a low amount of CaCO3 seed grains. The experiments were performed using pure solutions (NaHCO3, CaCl2.2H2O) and solutions mixed with Ethylene Glycol in sand beds. Additionally, precipitation experiments were performed using pure solutions in sand beds saturated with oil phase (n-dodecane) for a wide range of solution supersaturation. During the experiments the ionic strength was kept constant. pH and concentration values of calcium ion of the effluent were measured and the precipitated salt crystals were identified using X-ray Diffraction (XRD) method. At the end of each experiment Scanning Electron Microscope (SEM) was conducted using a sample of the precipitated sand to identify the morphology of the precipitated crystals and their cohesion with sand grains. Acknowledgments This research was partially funded by the European Union (European Social Fund-ESF) and Greek National Funds through the Operational program "Education and Lifelong Learning" under the action Aristeia II (Code No 4420). References

  17. Packing and Cohesive Properties of Some Locally Extracted Starches

    African Journals Online (AJOL)

    ... properties of the particles affect the packing and cohesive properties of the starches, and are important in predicting the behaviour of the starches during handling and use in pharmaceutical preparations. These properties need to be closely controlled in pre-formulation studies. Keywords: Packing and cohesive properties, ...

  18. Duration of Nasal Packs in the Management of Epistaxis

    International Nuclear Information System (INIS)

    Kundi, N. A.; Raza, M.

    2015-01-01

    Objective:To compare the efficacy of nasal packs for 12 and 24 hours in the management of epistaxis. Study Design: Quasi experimental study. Place and Duration of Study: Combined Military Hospital, Nowshera and Heavy Industries Taxilla Hospital, from October 2012 to April 2013. Methodology: A total of 60 patients presenting with epistaxis were selected and were divided into two groups of 30 patients each. Patients in both the groups were managed by nasal packs. In group-A packs were removed after 12 hours while in group-B after 24 hours. Symptoms of headache, lacrimation and recurrence of bleeding were recorded. SPSS 20 was used for data analysis and p-value less than 0.01 was considered significant. Results: There was significant difference for headache between removal of nasal packs after 12 hours and 24 hours (p < 0.001). There was significant difference for excessive lacrimation at 12 and 24 hours (p = 0.001). No significant difference was observed for recurrence of bleed when nasal packs were removed at 12 and 24 hours (p = 0.317). Conclusion: Duration in removal of nasal packs after 12 or 24 hours made a difference in the management of epistaxis. Symptoms of headache and excessive lacrimation were significantly higher when nasal packs were removed after 24 hours. It is recommended that patient could be managed with lesser duration of packs after episode of epistaxis to avoid inconvenience. (author)

  19. Hydrodynamics of multi-phase packed bed micro-reactors

    NARCIS (Netherlands)

    Márquez Luzardo, N.M.

    2010-01-01

    Why to use packed bed micro-reactors for catalyst testing? Miniaturized packed bed reactors have a large surface-to-volume ratio at the reactor and particle level that favors the heat- and mass-transfer processes at all scales (intra-particle, inter-phase and inter-particle or reactor level). If the

  20. The Performance of Structured Packings in Trickle-Bed Reactors

    NARCIS (Netherlands)

    Frank, M.J.W.; Kuipers, J.A.M.; Versteeg, G.F.; Swaaij, W.P.M. van

    1999-01-01

    An experimental study was carried out to investigate whether the use of structured packings might improve the mass transfer characteristics and the catalyst effectiveness of a trickle-bed reactor. Therefore, the performances of a structured packing, consisting of KATAPAK elements, and a dumped

  1. demonstrating close-packing of atoms using spherical bubble gums

    African Journals Online (AJOL)

    Admin

    chemistry and junior inorganic chemistry courses. However, the subject of three dimen- sional close-packing of atoms has always been difficult for students to understand. In particular, students find it difficult to visualize the packing of atoms in different layers. They cannot clearly identify tetrahedral and octahedral holes, and.

  2. Improved Erythrocyte Osmotic Fragility and Packed Cell Volume ...

    African Journals Online (AJOL)

    Improved Erythrocyte Osmotic Fragility and Packed Cell Volume following administration of Aloe barbadensis Juice Extract in Rats. ... Abstract. Aloe barbadensis is a popular house plant that has a long history of a multipurpose folk remedy. ... Keywords: osmotic fragility, packed cell volume, haemoglobin, Aloe vera ...

  3. Metallic witness packs for behind-armour debris characterization

    NARCIS (Netherlands)

    Verolme, J.L.; Szymczak, M.; Broos, J.P.F.

    1999-01-01

    For the experimental characterization of behind-armour debris so-called metallic witness packs can be used. A metallic witness pack consists of an array of metallic plates interspaced by polystyrene foam sheets. To quantify the fragment mass and velocity from the corresponding hole area and position

  4. 27 CFR 24.255 - Bottling or packing wine.

    Science.gov (United States)

    2010-04-01

    ... in the same tax class when that wine is removed from bond, without benefit of tolerance, when the... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bottling or packing wine..., DEPARTMENT OF THE TREASURY LIQUORS WINE Storage, Treatment and Finishing of Wine Bottling, Packing, and...

  5. Consistency Check for the Bin Packing Constraint Revisited

    Science.gov (United States)

    Dupuis, Julien; Schaus, Pierre; Deville, Yves

    The bin packing problem (BP) consists in finding the minimum number of bins necessary to pack a set of items so that the total size of the items in each bin does not exceed the bin capacity C. The bin capacity is common for all the bins.

  6. Characteristics of illegal and legal cigarette packs sold in Guatemala.

    Science.gov (United States)

    Arevalo, Rodrigo; Corral, Juan E; Monzon, Diego; Yoon, Mira; Barnoya, Joaquin

    2016-11-25

    Guatemala, as a party to the Framework Convention on Tobacco Control (FCTC), is required to regulate cigarette packaging and labeling and eliminate illicit tobacco trade. Current packaging and labeling characteristics (of legal and illegal cigarettes) and their compliance with the FCTC is unknown. We sought to analyze package and label characteristics of illegal and legal cigarettes sold in Guatemala. We visited the 22 largest traditional markets in the country to purchase illegal cigarettes. All brands registered on tobacco industry websites were purchased as legal cigarettes. Analysis compared labeling characteristics of illegal and legal packs. Most (95%) markets and street vendors sold illegal cigarettes; 104 packs were purchased (79 illegal and 25 legal). Ten percent of illegal and none of the legal packs had misleading terms. Half of the illegal packs had a warning label covering 26 to 50% of the pack surface. All legal packs had a label covering 25% of the surface. Illegal packs were more likely to have information on constituents and emissions (85% vs. 45%, p Guatemala, neither illegal nor legal cigarette packs comply with FCTC labeling mandates. Urgent implementation and enforcement of the FCTC is necessary to halt the tobacco epidemic.

  7. Phenomenon of ''self-cleaning'' of crystals

    International Nuclear Information System (INIS)

    Matveev, O.A.; Arkad'eva, E.N.; Goncharov, L.A.

    1975-01-01

    Crystals of germanium and cadmium telluride have been produced having the characteristics corresponding to the low content of electrically active impurities and crystal defects. The crystals have been grown under conditions of an equilibrium diffusion-concentration interaction of the impurities and crystal defects, with the donor alloying and controlling the acceptors concentration. These crystals have been studied with the help of the mass-spectral analysis, the Hall effect, photoelectroscopy, spectral photoconductivity and losses of collection of a charge from an ionizing particle on gamma-detectors fabricated of the crystals. Herein the doped composition of the crystals has been determined, the concentrations of the shallow and deep acceptors and donors have been measured separately, the life-times of the electrons and holes have been measured, the energetic position and the concentration of the carrier capture levels have been determined. The crystals grown possess all the characteristic features of rather pure crystals. The results of the mass-spectral analysis have shown that in the cadmium telluride crystals the impurities are present within 10 14 to 10 17 cm -3 . Therefore, a deep ''self-refining'' of the crystal takes place, which proceeds by means of deactivation of the electrically active centers with their associating into electrically inactive complexes. Thus a fact of the deep ''self-refining'' of germanium- and cadmium telluride crystals is stated. It is presumed that such a ''self-refining'' can actually proceed practically in all the crystals

  8. Diffusion and reaction within porous packing media: a phenomenological model.

    Science.gov (United States)

    Jones, W L; Dockery, J D; Vogel, C R; Sturman, P J

    1993-04-25

    A phenomenological model has been developed to describe biomass distribution and substrate depletion in porous diatomaceous earth (DE) pellets colonized by Pseudomonas aeruginosa. The essential features of the model are diffusion, attachment and detachment to/from pore walls of the biomass, diffusion of substrate within the pellet, and external mass transfer of both substrate and biomass in the bulk fluid of a packed bed containing the pellets. A bench-scale reactor filled with DE pellets was inoculated with P. aeruginosa and operated in plug flow without recycle using a feed containing glucose as the limiting nutrient. Steady-state effluent glucose concentrations were measured at various residence times, and biomass distribution within the pellet was measured at the lowest residence time. In the model, microorganism/substrate kinetics and mass transfer characteristics were predicted from the literature. Only the attachment and detachment parameters were treated as unknowns, and were determined by fitting biomass distribution data within the pellets to the mathematical model. The rate-limiting step in substrate conversion was determined to be internal mass transfer resistance; external mass transfer resistance and microbial kinetic limitations were found to be nearly negligible. Only the outer 5% of the pellets contributed to substrate conversion.

  9. Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices

    DEFF Research Database (Denmark)

    Ke, Yonggang; Voigt, Niels Vinther; Shih, William M.

    2012-01-01

    “Scaffolded DNA origami” has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry....... Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer...... DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology....

  10. Multilayer DNA origami packed on hexagonal and hybrid lattices.

    Science.gov (United States)

    Ke, Yonggang; Voigt, Niels V; Gothelf, Kurt V; Shih, William M

    2012-01-25

    "Scaffolded DNA origami" has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology. © 2011 American Chemical Society

  11. Random close packing of hard spheres and disks

    International Nuclear Information System (INIS)

    Berryman, J.G.

    1983-01-01

    A simple definition of random close packing of hard spheres is presented, and the consequences of this definition are explored. According to this definition, random close packing occurs at the minimum packing fraction eta for which the median nearest-neighbor radius equals the diameter of the spheres. Using the radial distribution function at more dilute concentrations to estimate median nearest-neighbor radii, lower bounds on the critical packing fraction eta/sub RCP/ are obtained and the value of eta/sub RCP/ is estimated by extrapolation. Random close packing is predicted to occur for eta/sub RCP/ = 0.64 +- 0.02 in three dimensions and eta/sub RCP/ = 0.82 +- 0.02 in two dimensions. Both of these predictions are shown to be consistent with the available experimental data

  12. Pack stability in dip faces fitted with scraper conveyors

    Energy Technology Data Exchange (ETDEWEB)

    Schwartzmann, R

    1978-01-01

    This paper presents an account of an investigation conducted by CERCHAR, at the request of HBNPC, into the problems of goafside pack stability. Winning method and support and stowing techniques are described. Sets out the study methods used: systematic measurement (by direct or remote means) using an instrument developed by CERCHAR to investigate all aspects of in situ pack behaviour: settling, stresses, pressure on supports, etc. Gives the results of the investigation (tables and graphs) load-bearing capacity of the supports, deformation of the surrounding rock, convergence and stresses in the pack (figures, graphs), resistance of support-timber screen, model of in situ pack behaviour. Detailed conclusions (potential techniques, detailed study, practical improvements in packing techniques) are presented.

  13. Statistical theory of correlations in random packings of hard particles.

    Science.gov (United States)

    Jin, Yuliang; Puckett, James G; Makse, Hernán A

    2014-05-01

    A random packing of hard particles represents a fundamental model for granular matter. Despite its importance, analytical modeling of random packings remains difficult due to the existence of strong correlations which preclude the development of a simple theory. Here, we take inspiration from liquid theories for the n-particle angular correlation function to develop a formalism of random packings of hard particles from the bottom up. A progressive expansion into a shell of particles converges in the large layer limit under a Kirkwood-like approximation of higher-order correlations. We apply the formalism to hard disks and predict the density of two-dimensional random close packing (RCP), ϕ(rcp) = 0.85 ± 0.01, and random loose packing (RLP), ϕ(rlp) = 0.67 ± 0.01. Our theory also predicts a phase diagram and angular correlation functions that are in good agreement with experimental and numerical data.

  14. Influence of γ-ray radiation on mechanical character of packing

    International Nuclear Information System (INIS)

    Tashiro, Hisao; Sakuma, Toshio

    1989-01-01

    This paper describes the results of investigation on coefficient of friction, normal to axial pressure-ratio and compressed strain of packings influenced by γ-ray irradiation, which are necessary to evaluate the mechanical characteristics of packing, using packings made of seven kinds of new materials and conventional asbestos packing A. It resulted that graphite packing was less influenced by the γ-ray exposure, whereas carbon-fiber (pitch) packing, tefron-fiber packing and alamid-fiber packing were much influenced as compared with the graphite packing. (author)

  15. Hydrothermally grown zeolite crystals

    International Nuclear Information System (INIS)

    Durrani, S.K.; Qureshi, A.H.; Hussain, M.A.; Qazi, N.K.

    2009-01-01

    The aluminium-deficient and ferrosilicate zeolite-type materials were synthesized by hydrothermal process at 150-170 degree C for various periods of time from the mixtures containing colloidal reactive silica, sodium aluminate, sodium hydroxide, iron nitrate and organic templates. Organic polycation templates were used as zeolite crystal shape modifiers to enhance relative growth rates. The template was almost completely removed from the zeolite specimens by calcination at 550 degree C for 8h in air. Simultaneous thermogravimetric (TG) and differential thermal analysis (DTA) was performed to study the removal of water molecules and the amount of organic template cations occluded inside the crystal pore of zeolite framework. The 12-13% weight loss in the range of (140-560 degree C) was associated with removal of the (C/sub 3/H/sub 7/)/sub 4/ N+ cation and water molecules. X-ray diffraction (XRD) analysis and scanning electron microscope (SEM) techniques were employed to study the structure, morphology and surface features of hydrothermally grown aluminium-deficient and ferrosilicate zeolite-type crystals. In order to elucidate the mode of zeolite crystallization the crystallinity and unit cell parameters of the materials were determined by XRD, which are the function of Al and Fe contents of zeolites. (author)

  16. SEPTOPLASTY WITH AND WITHOUT NASAL PACKING: A COMPARATIVE STUDY

    Directory of Open Access Journals (Sweden)

    Mitta

    2016-05-01

    Full Text Available Septoplasty is one of the most commonly performed surgeries in rhinology to relieve nasal obstruction of patients with distortion in the midline cartilage or septum of the nose to relieve nasal obstruction of patient and findings consistent with nasal endoscopy. The anterior nasal packing routinely done following septoplasty is usually conventional and not evidence based. The purpose of nasal packing is to obtain haemostasis, enhance opposition of septal flaps, avoid septal haematoma formation, close the dead space, avoid synechiae formation, provide support to septal cartilage and prevent its displacement. OBJECTIVE This study intends to evaluate the effects of nasal packing on surgical success and related complications in septoplasty. MATERIALS AND METHODS The present clinical prospective and randomised study was carried out on patients attending Otorhinolaryngology Department of Santhiram Medical College & General Hospital between March 2012 and March 2015. Patients undergoing septoplasty were randomised either to receive anterior nasal packing or to not receive nasal packing postoperatively. RESULTS Levels of pain experienced by patients with nasal packing postoperatively during the initial 24 hours postoperatively and during the removal of the pack were significantly more. Post-operative headache, epiphora, swallowing discomfort and sleep disturbance were more in patients with nasal packing and statistically (p.05. Septal haematoma, adhesions and local infections in both groups were statistically insignificant (p>.05. CONCLUSION Septoplasty enhances the standard of living of patients with septal deviation and nasal obstruction. Our study results suggest that nasal packing after septoplasty is not obligatory. Nasal packing causes considerably more pain and complications, and it should be reserved only for those who have bleeding predisposition.

  17. Numerical analysis of heat propagation in a battery pack using a novel technology for triggering thermal runaway

    International Nuclear Information System (INIS)

    Coman, Paul T.; Darcy, Eric C.; Veje, Christian T.; White, Ralph E.

    2017-01-01

    Highlights: •Heat propagation during thermal runaway (TR) in a battery pack with aluminum heat sink was analyzed. •TR in the battery pack, triggered by a novel internal short circuit device (ISCD) was modeled. •A 2D geometry and model couplings reduce computation time significantly. •Small air gaps and mica paper in combination with a thermally conductive matrix increase safety in battery packs. -- Abstract: This paper presents a numerical model used for analyzing heat propagation as a safety feature in a custom-made battery pack. The pack uses a novel technology consisting of an internal short circuit device implanted in a cell to trigger thermal runaway. The goal of the study is to investigate the importance of wrapping cylindrical battery cells (18650 type) in a thermally and electrically insulating mica sleeve, to fix the cells in a thermally conductive aluminum heat sink. By modeling the full-scale pack using a 2D model and coupling the thermal model with an electrochemical model, good agreement with a 3D model and experimental data was found (less than 6%). The 2D modeling approach also reduces the computation time considerably (from 11 h to 25 min) compared to using a 3D model. The results showed that the air trapped between the cell and the boreholes of the heat sink provides a good insulation which reduces the temperature of the adjacent cells during thermal runaway. At the same time, a highly conductive matrix dissipates the heat throughout its thermal mass, reducing the temperature even further. It was found that for designing a safe battery pack which mitigates thermal runaway propagation, a combination of small insulating layers wrapped around the cells, and a conductive heat sink is beneficial.

  18. Automated packing systems: review of industrial implementations

    Science.gov (United States)

    Whelan, Paul F.; Batchelor, Bruce G.

    1993-08-01

    A rich theoretical background to the problems that occur in the automation of material handling can be found in operations research, production engineering, systems engineering and automation, more specifically machine vision, literature. This work has contributed towards the design of intelligent handling systems. This paper will review the application of these automated material handling and packing techniques to industrial problems. The discussion will also highlight the systems integration issues involved in these applications. An outline of one such industrial application, the automated placement of shape templates on to leather hides, is also discussed. The purpose of this system is to arrange shape templates on a leather hide in an efficient manner, so as to minimize the leather waste, before they are automatically cut from the hide. These pieces are used in the furniture and car manufacturing industries for the upholstery of high quality leather chairs and car seats. Currently this type of operation is semi-automated. The paper will outline the problems involved in the full automation of such a procedure.

  19. Compressed Subsequence Matching and Packed Tree Coloring

    DEFF Research Database (Denmark)

    Bille, Philip; Cording, Patrick Hagge; Gørtz, Inge Li

    2017-01-01

    We present a new algorithm for subsequence matching in grammar compressed strings. Given a grammar of size n compressing a string of size N and a pattern string of size m over an alphabet of size \\(\\sigma \\), our algorithm uses \\(O(n+\\frac{n\\sigma }{w})\\) space and \\(O(n+\\frac{n\\sigma }{w}+m\\log N\\log...... w\\cdot occ)\\) or \\(O(n+\\frac{n\\sigma }{w}\\log w+m\\log N\\cdot occ)\\) time. Here w is the word size and occ is the number of minimal occurrences of the pattern. Our algorithm uses less space than previous algorithms and is also faster for \\(occ=o(\\frac{n}{\\log N})\\) occurrences. The algorithm uses...... a new data structure that allows us to efficiently find the next occurrence of a given character after a given position in a compressed string. This data structure in turn is based on a new data structure for the tree color problem, where the node colors are packed in bit strings....

  20. First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea

    Science.gov (United States)

    Masunov, Artëm E.; Tannu, Arman; Dyakov, Alexander A.; Matveeva, Anastasia D.; Freidzon, Alexandra Ya.; Odinokov, Alexey V.; Bagaturyants, Alexander A.

    2017-06-01

    The crystalline materials with nonlinear optical (NLO) properties are critically important for several technological applications, including nanophotonic and second harmonic generation devices. Urea is often considered to be a standard NLO material, due to the combination of non-centrosymmetric crystal packing and capacity for intramolecular charge transfer. Various approaches to crystal engineering of non-centrosymmetric molecular materials were reported in the literature. Here we propose using global lattice energy minimization to predict the crystal packing from the first principles. We developed a methodology that includes the following: (1) parameter derivation for polarizable force field AMOEBA; (2) local minimizations of crystal structures with these parameters, combined with the evolutionary algorithm for a global minimum search, implemented in program USPEX; (3) filtering out duplicate polymorphs produced; (4) reoptimization and final ranking based on density functional theory (DFT) with many-body dispersion (MBD) correction; and (5) prediction of the second-order susceptibility tensor by finite field approach. This methodology was applied to predict virtual urea polymorphs. After filtering based on packing similarity, only two distinct packing modes were predicted: one experimental and one hypothetical. DFT + MBD ranking established non-centrosymmetric crystal packing as the global minimum, in agreement with the experiment. Finite field approach was used to predict nonlinear susceptibility, and H-bonding was found to account for a 2.5-fold increase in molecular hyperpolarizability to the bulk value.

  1. William Barlow and the Determination of Atomic Arrangement in Crystals.

    Science.gov (United States)

    Mauskopf, Seymour H

    2015-04-01

    William Barlow (1845-1934) was an important if unconventional scientist, known for having developed the 'closest-packing' atomic models of crystal structure. He resumed an early nineteenth-century tradition of utilizing crystallographical and chemical data to determine atomic arrangements in crystals. This essay recounts Barlow's career and scientific activity in three parts: (a) His place in the tradition of determining atomic arrangement in context of this earlier tradition and of contemporaneous developments of crystallography and chemistry, (b) his unconventional career, and (c) the 'success' of his program to determine atomic arrangements in crystals and its influence on the work of William Lawrence Bragg.

  2. Thermal expansion of crystals of the N2 type

    International Nuclear Information System (INIS)

    Tolkachev, A.M.; Manzhelii, V.G.; Azarenkov, V.P.; Jezowski, A.; Kosobutskaya, E.A.

    1981-01-01

    Linear expansion coefficients of low temperature crystals with linear molecules and Pa3 lattice N 2 (2-21 K), CO(2-28 K), CO 2 (2-25 K), N 2 O(2-90 K) were measured. A version of the law of corresponding states to describe the translational component of the thermal expansion of the substances studied and other low temperature crystals with close-packed lattices is proposed. In the thermal properties of crystals consisting of molecules without inversion centre, we have found anomalies interpreted as the evidence of a partial dipole ordering. (orig.)

  3. Treatment of alcaline metals halides for developing crystals

    International Nuclear Information System (INIS)

    Spurney, R.W.

    1974-01-01

    A process is described whereby crystals of an alkaline metal halide may be dried and placed in a crucible for development by the Bridgeman-Stockbarger method. Purified alkaline halides from a suspension are dried and formed into dense cakes of transverse section slightly smaller than that of the crucible, where they are packed, melted and grown into crystals according to the Bridgeman-Stockbarger technique. This method applies to the preparation of alkaline halide crystals, particularly sodium iodide for optical elements or scintillation counters [fr

  4. Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors

    KAUST Repository

    Ryno, Sean

    2016-05-16

    The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate their polarization energies in the bulk and at the organic-vacuum interface using a polarizable force field that accounts for induced-dipole and quadrupole interactions. Though both oligoacenes pack in a herringbone motif, the tetraphenyl substituents on the tetracene backbone of rubrene alter greatly the nature of the packing. The resulting change in relative orientations of neighboring molecules is found to reduce the bulk polarization energy of holes in rubrene by some 0.3 eV when compared to tetracene. The consideration of model organic-vacuum interfaces highlights the significant variation in the electrostatic environment for a charge carrier at a surface although the net change in polarization energy is small; interestingly, the environment of a charge even just one layer removed from the surface can be viewed already as representative of the bulk. Overall, it is found that in these herringbone-type layered crystals the polarization energy has a much stronger dependence on the intralayer packing density than interlayer packing density.

  5. Decisive Interactions between the Heterocyclic Moiety and the Cluster Observed in Polyoxometalate-Surfactant Hybrid Crystals

    Directory of Open Access Journals (Sweden)

    Saki Otobe

    2015-04-01

    Full Text Available Inorganic-organic hybrid crystals were successfully obtained as single crystals by using polyoxotungstate anion and cationic dodecylpyridazinium (C12pda and dodecylpyridinium (C12py surfactants. The decatungstate (W10 anion was used as the inorganic component, and the crystal structures were compared. In the crystal comprising C12pda (C12pda-W10, the heterocyclic moiety directly interacted with W10, which contributed to a build-up of the crystal structure. On the other hand, the crystal consisting of C12py (C12py-W10 had similar crystal packing and molecular arrangement to those in the W10 crystal hybridized with other pyridinium surfactants. These results indicate the significance of the heterocyclic moiety of the surfactant to construct hybrid crystals with polyoxometalate anions.

  6. Do gray wolves (Canis lupus) support pack mates during aggressive inter-pack interactions?

    Science.gov (United States)

    Cassidy, Kira A; McIntyre, Richard T

    2016-09-01

    For group-living mammals, social coordination increases success in everything from hunting and foraging (Crofoot and Wrangham in Mind the Gap, Springer, Berlin, 2010; Bailey et al. in Behav Ecol Sociobiol 67:1-17, 2013) to agonism (Mosser and Packer in Anim Behav 78:359-370, 2009; Wilson et al. in Anim Behav 83:277-291, 2012; Cassidy et al. in Behav Ecol 26:1352-1360, 2015). Cooperation is found in many species and, due to its low costs, likely is a determining factor in the evolution of living in social groups (Smith in Anim Behav 92:291-304, 2014). Beyond cooperation, many mammals perform costly behaviors for the benefit of group mates (e.g., parental care, food sharing, grooming). Altruism is considered the most extreme case of cooperation where the altruist increases the fitness of the recipient while decreasing its own fitness (Bell in Selection: the mechanism of evolution. Oxford University Press, Oxford 2008). Gray wolf life history requires intra-pack familiarity, communication, and cooperation in order to succeed in hunting (MacNulty et al. in Behav Ecol doi: 10.1093/beheco/arr159 2011) and protecting group resources (Stahler et al. in J Anim Ecol 82: 222-234, 2013; Cassidy et al. in Behav Ecol 26:1352-1360, 2015). Here, we report 121 territorial aggressive inter-pack interactions in Yellowstone National Park between 1 April 1995 and 1 April 2011 (>5300 days of observation) and examine each interaction where one wolf interferes when its pack mate is being attacked by a rival group. This behavior was recorded six times (17.6 % of interactions involving an attack) and often occurred between dyads of closely related individuals. We discuss this behavior as it relates to the evolution of cooperation, sociality, and altruism.

  7. Fast charge implications: Pack and cell analysis and comparison

    Science.gov (United States)

    Tanim, Tanvir R.; Shirk, Matthew G.; Bewley, Randy L.; Dufek, Eric J.; Liaw, Bor Yann

    2018-03-01

    This study investigates the effect of 50-kW (about 2C) direct current fast charging on a full-size battery electric vehicle's battery pack in comparison to a pack exclusively charged at 3.3 kW, which is the common alternating current Level 2 charging power level. Comparable scaled charging protocols are also independently applied to individual cells at three different temperatures, 20 °C, 30 °C, and 40 °C, to perform a comparative analysis with the packs. Dominant cell-level aging modes were identified through incremental capacity analysis and compared with full packs to gain a clear understanding of additional key factors that affect pack aging. While the cell-level study showed a minor impact on performance due to direct current fast charging, the packs showed a significantly higher rate of capacity fade under similar charging protocols. This indicates that pack-level aging cannot be directly extrapolated from cell evaluation. Delayed fast charging, completing shortly before discharge, was found to have less of an impact on battery degradation than conventional alternating current Level 2 charging.

  8. A Genetic Analysis of Crystal Growth

    DEFF Research Database (Denmark)

    Brown, Stanley; Sarikaya, Mehmet; Johnson, E.

    2000-01-01

    The regulation of crystal morphology by proteins is often observed in biology. It is a central feature in the formation of hard tissues such as bones, teeth and mollusc shells. We have developed a genetic system in the bacterium Escherichia coli to study the protein-mediated control of crystal...

  9. Avoidance of cigarette pack health warnings among regular cigarette smokers.

    Science.gov (United States)

    Maynard, Olivia M; Attwood, Angela; O'Brien, Laura; Brooks, Sabrina; Hedge, Craig; Leonards, Ute; Munafò, Marcus R

    2014-03-01

    Previous research with adults and adolescents indicates that plain cigarette packs increase visual attention to health warnings among non-smokers and non-regular smokers, but not among regular smokers. This may be because regular smokers: (1) are familiar with the health warnings, (2) preferentially attend to branding, or (3) actively avoid health warnings. We sought to distinguish between these explanations using eye-tracking technology. A convenience sample of 30 adult dependent smokers participated in an eye-tracking study. Participants viewed branded, plain and blank packs of cigarettes with familiar and unfamiliar health warnings. The number of fixations to health warnings and branding on the different pack types were recorded. Analysis of variance indicated that regular smokers were biased towards fixating the branding rather than the health warning on all three pack types. This bias was smaller, but still evident, for blank packs, where smokers preferentially attended the blank region over the health warnings. Time-course analysis showed that for branded and plain packs, attention was preferentially directed to the branding location for the entire 10s of the stimulus presentation, while for blank packs this occurred for the last 8s of the stimulus presentation. Familiarity with health warnings had no effect on eye gaze location. Smokers actively avoid cigarette pack health warnings, and this remains the case even in the absence of salient branding information. Smokers may have learned to divert their attention away from cigarette pack health warnings. These findings have implications for cigarette packaging and health warning policy. Copyright © 2014 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

  10. Enabling Microliquid Chromatography by Microbead Packing of Microchannels

    Science.gov (United States)

    Balvin, Manuel; Zheng, Yun

    2014-01-01

    The microbead packing is the critical element required in the success of on-chip microfabrication of critical microfluidic components for in-situ analysis and detection of chiral amino acids. In order for microliquid chromatography to occur, there must be a stationary phase medium within the microchannel that interacts with the analytes present within flowing fluid. The stationary phase media are the microbeads packed by the process discussed in this work. The purpose of the microliquid chromatography is to provide a lightweight, low-volume, and low-power element to separate amino acids and their chiral partners efficiently to understand better the origin of life. In order to densely pack microbeads into the microchannels, a liquid slurry of microbeads was created. Microbeads were extracted from a commercially available high-performance liquid chromatography column. The silica beads extracted were 5 microns in diameter, and had surface coating of phenyl-hexyl. These microbeads were mixed with a 200- proof ethanol solution to create a microbead slurry with the right viscosity for packing. A microfilter is placed at the outlet via of the microchannel and the slurry is injected, then withdrawn across a filter using modified syringes. After each injection, the channel is flushed with ethanol to enhance packing. This cycle is repeated numerous times to allow for a tightly packed channel of microbeads. Typical microbead packing occurs in the macroscale into tubes or channels by using highly pressurized systems. Moreover, these channels are typically long and straight without any turns or curves. On the other hand, this method of microbead packing is completed within a microchannel 75 micrometers in diameter. Moreover, the microbead packing is completed into a serpentine type microchannel, such that it maximizes microchannel length within a microchip. Doing so enhances the interactions of the analytes with the microbeads to separate efficiently amino acids and amino acid

  11. Scottish young people's perceptions of standardised packs - a qualitative study

    Directory of Open Access Journals (Sweden)

    Andy Macgregor

    2018-03-01

    Full Text Available Background Standardised cigarette packs were introduced into the UK in May 2016. Retailers could sell old stock until May 2017 after which only the sale of cigarettes and tobacco in standardised packs was allowed. As in Australia, pack shape, colour, opening mechanism and font are regulated, together with the size and position of health warnings and number of cigarettes in a pack. This paper explores Scottish young people's awareness of and views about standardised packs in Spring 2017. Methods The DISPLAY study is a five year study established to evaluate the national tobacco point-of sale (POS promotions ban in four communities in Scotland. This paper is based on the qualitative component, annual focus groups carried out with Secondary 2 (13 year olds and Secondary 4 (15 year olds students in four secondary schools. 16 groups (82 students convened in February - March 2017 explored students' perceptions of standardised packaging. Results There was a high level of awareness of standardised packs prior to their full implementation. Smokers had bought them, and they and other participants had seen them in possession of friends and family members, and in litter. Participants' views of the new packaging were generally negative, described as unappealing and depressing, particularly the pictorial health warnings. Packs were compared unfavourably with previous non-standardised versions. However, there was no consensus on their likely impact. Some participants argued that their impact would be widespread, while others thought that any impact would be confined to young non/occasional smokers and that established smokers would be unaffected. Conclusions In early 2017 young people in Scotland had high awareness and knowledge of standardised tobacco packs before their full implementation. Despite differing views about their likely impact on youth smoking, participants irrespective of smoking status overwhelmingly regarded them as unattractive and less

  12. Ecology of southern ocean pack ice.

    Science.gov (United States)

    Brierley, Andrew S; Thomas, David N

    2002-01-01

    Around Antarctica the annual five-fold growth and decay of sea ice is the most prominent physical process and has a profound impact on marine life there. In winter the pack ice canopy extends to cover almost 20 million square kilometres--some 8% of the southern hemisphere and an area larger than the Antarctic continent itself (13.2 million square kilometres)--and is one of the largest, most dynamic ecosystems on earth. Biological activity is associated with all physical components of the sea-ice system: the sea-ice surface; the internal sea-ice matrix and brine channel system; the underside of sea ice and the waters in the vicinity of sea ice that are modified by the presence of sea ice. Microbial and microalgal communities proliferate on and within sea ice and are grazed by a wide range of proto- and macrozooplankton that inhabit the sea ice in large concentrations. Grazing organisms also exploit biogenic material released from the sea ice at ice break-up or melt. Although rates of primary production in the underlying water column are often low because of shading by sea-ice cover, sea ice itself forms a substratum that provides standing stocks of bacteria, algae and grazers significantly higher than those in ice-free areas. Decay of sea ice in summer releases particulate and dissolved organic matter to the water column, playing a major role in biogeochemical cycling as well as seeding water column phytoplankton blooms. Numerous zooplankton species graze sea-ice algae, benefiting additionally because the overlying sea-ice ceiling provides a refuge from surface predators. Sea ice is an important nursery habitat for Antarctic krill, the pivotal species in the Southern Ocean marine ecosystem. Some deep-water fish migrate to shallow depths beneath sea ice to exploit the elevated concentrations of some zooplankton there. The increased secondary production associated with pack ice and the sea-ice edge is exploited by many higher predators, with seals, seabirds and whales

  13. Matching and Compression of Strings with Automata and Word Packing

    DEFF Research Database (Denmark)

    Skjoldjensen, Frederik Rye; Gørtz, Inge Li; Thomassen, Carsten

    pattern queries. In the deterministic variant the goal is to solve the string indexing problem without any randomization (at preprocessing time or query time). In the packed variant the strings are stored with several character in a single word, giving us the opportunity to read multiple characters...... in (deterministic) time O (m= + logm + log log ) ; where = w= log is the number of characters packed in a word of size w = (log n). Our query time is always at least as good as the previous best known bounds and whenever several characters are packed in a word, i.e., log w, the query times are faster. Dynamic...

  14. Crystal ball single event display

    International Nuclear Information System (INIS)

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J.; Argonne National Lab., IL

    1997-01-01

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about π o 's and η's formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer

  15. Temperature-controlled two new Co(II) compounds with distinct topological networks: Syntheses, crystal structures and catalytic properties

    Science.gov (United States)

    Meng, Qing-Hua; Long, Xu; Liu, Jing-Li; Zhang, Shuan; Zhang, Guang-Hui

    2018-04-01

    Two new Co(II) coordination compounds, namely [Co2(bptc)(bpp)2]n (1) and [Co(bptc)0.5(bpp)]n (2) (H4bptc = biphenyl-3,3‧,5,5‧-tetracarboxylic acid, bpp = 1,3-di(4-pyridyl)propane), have been hydrothermally synthesized from the same reactants via tuning the reaction temperature. Single crystal X-ray diffraction analyses revealed that both 1 and 2 feature 2D sheet motifs. Topological analyses revealed that compounds 1 and 2 show distinct topological networks. Under the weak Van der Waals interactions, the 2D sheet motifs of compounds 1 and 2 are further packed into 2D→3D interdigitated supramolecular frameworks. Moreover, the two Co(II) compounds show high catalytic activities for degradation of methyl orange (MO) in a Fenten-like process.

  16. An Inexpensive, Implantable Electronic Sensor for Autonomous Measurement of Snow Pack Parameters

    Science.gov (United States)

    De Roo, R. D.; Haengel, E.; Rogacki, S.

    2015-12-01

    Snow accumulations on the ground are an important source of water in many parts of the world. Mapping the accumulation, usually represented as the snow water equivalent (SWE), is valuable for water resource management. The longest record of regional and global maps of SWE are from orbiting microwave radiometers, which do not directly measure SWE but rather measure the scatter darkening from the snow pack. Robustly linking the scatter darkening to SWE eludes us to this day, in part because the snow pack is highly variable in both time and space. The data needed is currently collected by hand in "snow pits," and the labor-intensive process limits the size of the data sets that can be obtained. In particular, time series measurements are only a one or two samples per day at best, and come at the expense of spatial sampling. We report on the development of a low-power wireless device that can be embedded within a snow pack to report on some of the critical parameters needed to understand scatter darkening. The device autonomously logs temperature, the microwave dielectric constant and infrared backscatter local to the device. The microwave dielectric constant reveals the snow density and the presence of liquid water, while the infrared backscatter measurement, together with the density measurement, reveals a characteristic grain size of the snow pack. The devices are made to be inexpensive (less than $200 in parts each) and easily replicated, so that many can be deployed to monitor variations vertically and horizontally in the snow pack. The low-power operation is important both for longevity of observations as well as insuring minimal anomalous metamorphism of the snow pack. The hardware required for the microwave measurement is intended for wireless communications, and this feature will soon be implemented for near real-time monitoring of snow conditions. We will report on the design, construction and initial deployment of about 30 of these devices in northern lower

  17. Characterization of pitches by liquid chromatography using cellulose 3,5-dinitrobenzoate as the packing material

    Energy Technology Data Exchange (ETDEWEB)

    Arai, K.; Judo, R.; Ota, E. [Gunma University, Gunma (Japan). Dept. of Chemistry

    1997-08-01

    Characterization of coal tar, petroleum and PVC pitches by a liquid chromatography using cellulose 3,5-dinitrobenzoate (DNB-cellulose) as the packing material was investigated. Separation mechanism based on charge-transfer interaction between the dinitrobenzoyl group and polyaromatic compounds was expected to be useful for separation of the constituents of the pitches. First, 26 model polyaromatic compounds were tested to examine the characteristic feature of the packing material by liquid chromatography. The compounds were found to be classified roughly into four groups with different retention volume, principally according to the number of condensed rings. The nonplanar structure and aliphatic side chain of the polyaromatic compounds also affected the separation behavior. Both benzene soluble-hexane soluble and benzene soluble-hexane insoluble fractions of the three pitches were separated on DNB-cellulose. It was found that coal tar pitch contains relatively large amounts of some highly condensed polyaromatic compounds with condensed rings of 4 to 5; petroleum pitch has small amounts of such specific highly condensed polyaromatic compounds, while PVC pitch has large amounts of less condensed polyaromatic compounds and there is no significant amount of highly condensed compound in it. Thus DNB-cellulose was useful as the convenient packing material for liquid chromatography to characterize pitches.

  18. Packing Density Approach for Sustainable Development of Concrete

    Directory of Open Access Journals (Sweden)

    Sudarshan Dattatraya KORE

    2017-12-01

    Full Text Available This paper deals with the details of optimized mix design for normal strength concrete using particle packing density method. Also the concrete mixes were designed as per BIS: 10262-2009. Different water-cement ratios were used and kept same in both design methods. An attempt has been made to obtain sustainable and cost effective concrete product by use of particle packing density method. The parameters such as workability, compressive strength, cost analysis and carbon di oxide emission were discussed. The results of the study showed that, the compressive strength of the concrete produced by packing density method are closer to that of design compressive strength of BIS code method. By adopting the packing density method for design of concrete mixes, resulted in 11% cost saving with 12% reduction in carbon di oxide emission.

  19. PNGS-A unit 4 composite graphite valve packing program

    International Nuclear Information System (INIS)

    Meaney, F.

    1992-01-01

    During the outage of Pickering 4 for retubing and rehabilitation, a composite graphite packing program was completed on 100 conventional valves and 50 nuclear valves. This paper describes component refurbishment, related maintenance, and manpower requirements. 2 figs

  20. The investigation of cooling tower packing in various arrangements

    International Nuclear Information System (INIS)

    Golshayshi, H.R.; Missenden, J.F.

    1998-01-01

    The effect of form with corrugated packing on heat transfer and pressure drop characteristics in atmospheric cooling towers has been studied experimentally. The results showed that the heat transfer coefficient decreased with increase in packing pitch and increase in the ratio of rib pitch to rib height. Friction factors were expressed by a dimensional equation which included pitch and distance between the packings, for both smooth and rough surface. From these results, the relationship between packing heat transfer coefficient and pressure drop was deduced. The correlations were verified with additional experimental data taken with 1.1,P/D p /e 5 . This provides a useful semi experimental relation, in the area generally lacking in design and performance data. (author)

  1. Wrox SharePoint 2010 SharePoint911 three-pack

    CERN Document Server

    Klindt, Todd; Mason, Jennifer; Rogers, Laura; Drisgill, Randy; Ross, John; Riemann, Larry; Perran, Amanda; Perran, Shane; Sanford, Jacob J; Stubbs, Paul; Caravajal, Steve

    2012-01-01

    The Wrox SharePoint 2010 SharePoint911 Three-Pack combines the contents of three full e-books written by the experts from SharePoint911.  That's over 1800 pages of hands-on advice from Todd Klindt, Shane Young, Laura Rogers, Randy Drisgill, Jennifer Mason, John Ross, and Larry Riemann, among others. In Beginning SharePoint 2010: Building Business Solutions with SharePoint (ISBN 978-0-470-61789-2) by Amanda Perran, Shane Perran, Jennifer Mason, and Laura Rogers, readers learn the core concepts, terminology, and features of SharePoint 2010. In Professiona

  2. Packed-fluidized-bed blanket concept for a thorium-fueled commercial tokamak hybrid reactor

    International Nuclear Information System (INIS)

    Chi, J.W.H.; Miller, J.W.; Karbowski, J.S.; Chapin, D.L.; Kelly, J.L.

    1980-09-01

    A preliminary design of a thorium blanket was carried out as a part of the Commercial Tokamak Hybrid Reactor (CTHR) study. A fixed fuel blanket concept was developed as the reference CTHR blanket with uranium carbide fuel and helium coolant. A fixed fuel blanket was initially evaluated for the thorium blanket study. Subsequently, a new type of hybrid blanket, a packed-fluidized bed (PFB), was conceived. The PFB blanket concept has a number of unique features that may solve some of the problems encountered in the design of tokamak hybrid reactor blankets. This report documents the thorium blanket study and describes the feasibility assessment of the PFB blanket concept

  3. Development of a mechanistically based computer simulation of nitrogen oxide absorption in packed towers

    International Nuclear Information System (INIS)

    Counce, R.M.

    1981-01-01

    A computer simulation for nitrogen oxide (NO/sub x/) scrubbing in packed towers was developed for use in process design and process control. This simulation implements a mechanistically based mathematical model, which was formulated from (1) an exhaustive literature review; (2) previous NO/sub x/ scrubbing experience with sieve-plate towers; and (3) comparisons of sequential sets of experiments. Nitrogen oxide scrubbing is characterized by simultaneous absorption and desorption phenomena: the model development is based on experiments designed to feature these two phenomena. The model was then successfully tested in experiments designed to put it in jeopardy

  4. Tuning crystal polymorphs of a Π-extended tetrathiafulvalene-based cruciform molecule towards high-performance organic field-effect transistors

    DEFF Research Database (Denmark)

    Feng, Linlin; Dong, Huanli; Li, Qingyuan

    2017-01-01

    It is a common phenomenon for organic semiconductors to crystallize in two or more polymorphs, leading to various molecular packings and different charge transport properties. Therefore, it is a crucial issue of tuning molecular crystal polymorphs (i.e., adjusting the same molecule with different......)-based cruciform molecule, named as IF-TTF. The charge carrier mobility of the α-phase IF-TTF crystals was more than one order of magnitude higher than that of β-phase crystals, suggesting the importance of reasonably tuning molecular packing in solid state for the improvement of charge transport in organic...... semiconductors...

  5. Granular flow through an aperture: Influence of the packing fraction

    Science.gov (United States)

    Aguirre, M. A.; De Schant, R.; Géminard, J.-C.

    2014-07-01

    For the last 50 years, the flow of a granular material through an aperture has been intensely studied in gravity-driven vertical systems (e.g., silos and hoppers). Nevertheless, in many industrial applications, grains are horizontally transported at constant velocity, lying on conveyor belts or floating on the surface of flowing liquids. Unlike fluid flows, that are controlled by the pressure, granular flow is not sensitive to the local pressure but rather to the local velocity of the grains at the outlet. We can also expect the flow rate to depend on the local density of the grains. Indeed, vertical systems are packed in dense configurations by gravity, but, in contrast, in horizontal systems the density can take a large range of values, potentially very small, which may significantly alter the flow rate. In the present article, we study, for different initial packing fractions, the discharge through an orifice of monodisperse grains driven at constant velocity by a horizontal conveyor belt. We report how, during the discharge, the packing fraction is modified by the presence of the outlet, and we analyze how changes in the packing fraction induce variations in the flow rate. We observe that variations of packing fraction do not affect the velocity of the grains at the outlet, and, therefore, we establish that flow-rate variations are directly related to changes in the packing fraction.

  6. Featuring animacy

    Directory of Open Access Journals (Sweden)

    Elizabeth Ritter

    2015-01-01

    Full Text Available Algonquian languages are famous for their animacy-based grammatical properties—an animacy based noun classification system and direct/inverse system which gives rise to animacy hierarchy effects in the determination of verb agreement. In this paper I provide new evidence for the proposal that the distinctive properties of these languages is due to the use of participant-based features, rather than spatio-temporal ones, for both nominal and verbal functional categories (Ritter & Wiltschko 2009, 2014. Building on Wiltschko (2012, I develop a formal treatment of the Blackfoot aspectual system that assumes a category Inner Aspect (cf. MacDonald 2008, Travis 1991, 2010. Focusing on lexical aspect in Blackfoot, I demonstrate that the classification of both nouns (Seinsarten and verbs (Aktionsarten is based on animacy, rather than boundedness, resulting in a strikingly different aspectual system for both categories. 

  7. Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.

    Science.gov (United States)

    Rodrigues, Vinola Z; Preema, C P; Naveen, S; Lokanath, N K; Suchetan, P A

    2015-11-01

    Crystal structures of two N-(ar-yl)aryl-sulfonamides, namely, 4-meth-oxy-N-(4-methyl-phen-yl)benzene-sulfonamide, C14H15NO3S, (I), and N-(4-fluoro-phen-yl)-4-meth-oxy-benzene-sulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N-H⋯O hydrogen bonds form infinite C(4) chains extended in [010], and inter-molecular C-H⋯πar-yl inter-actions link these chains into layers parallel to the ab plane. The crystal structure of (II) features N-H⋯O hydrogen bonds forming infinite one dimensional C(4) chains along [001]. Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

  8. Synthesis and characterization of α-MoO3 microspheres packed with nanoflakes

    International Nuclear Information System (INIS)

    Sharma, Rabindar K; Reddy, G B

    2014-01-01

    In this paper, we report the fabrication of three-dimensional molybdenum oxide (α-MoO 3 ) microspheres (MSs) packed with nanoflakes by facile and eco-friendly physical vapour deposition processes. Synthesis processes include sequences of plasma-assisted sublimation and thermal evaporation routes on a nickel-coated glass substrate in three individual stages. It is observed that nanostructured films deposited in the first and second stages function as seed layers for the growth of MoO 3 MSs. The structural study divulged that the MoO 3 MSs are polycrystalline in nature with pure orthorhombic phase. The morphological study endorses the uniform growth of MSs on a large area scale having diameters in the range of 0.7–2 µm with the finely packed single crystalline nanoflakes with mean thicknesses of nearly 60 nm. These single crystalline flakes are not individual but in the form of randomly distributed bunches embedded on the surface of MSs. Vibrational study of molybdenum and oxygen atoms in the MSs is carried out by Raman and Fourier transform infrared analysis, which further assured the existence of a pure orthorhombic crystal phase of MoO 3 MSs and also justified the x-ray diffractogram findings. The MoO 3 MSs show intense photoluminescence emission at room temperature with the five prominent peaks located at 424, 457, 486, 521 and 536 nm in accordance with the improvement in the degree of crystallinity. The possible growth strategy of α-MoO 3 MSs packed with nanoflakes is proposed in this paper briefly. (paper)

  9. The impact of chemical structure and molecular packing on the electronic polarisation of fullerene arrays.

    Science.gov (United States)

    Few, Sheridan; Chia, Cleaven; Teo, Daniel; Kirkpatrick, James; Nelson, Jenny

    2017-07-19

    Electronic polarisation contributes to the electronic landscape as seen by separating charges in organic materials. The nature of electronic polarisation depends on the polarisability, density, and arrangement of polarisable molecules. In this paper, we introduce a microscopic, coarse-grained model in which we treat each molecule as a polarisable site, and use an array of such polarisable dipoles to calculate the electric field and associated energy of any arrangement of charges in the medium. The model incorporates chemical structure via the molecular polarisability and molecular packing patterns via the structure of the array. We use this model to calculate energies of charge pairs undergoing separation in finite fullerene lattices of different chemical and crystal structures. The effective dielectric constants that we estimate from this approach are in good quantitative agreement with those measured experimentally in C 60 and phenyl-C 61 -butyric acid methyl ester (PCBM) films, but we find significant differences in dielectric constant depending on packing and on direction of separation, which we rationalise in terms of density of polarisable fullerene cages in regions of high field. In general, we find lattices containing molecules of more isotropic polarisability tensors exhibit higher dielectric constants. By exploring several model systems we conclude that differences in molecular polarisability (and therefore, chemical structure) appear to be less important than differences in molecular packing and separation direction in determining the energetic landscape for charge separation. We note that the results are relevant for finite lattices, but not necessarily for infinite systems. We propose that the model could be used to design molecular systems for effective electronic screening.

  10. Improvement of MARS code through the removal of bit-packed words and multiple use of DLLs (Dynamic Link Library)

    Energy Technology Data Exchange (ETDEWEB)

    Jung, B. D.; Jung, J. J.; Ha, K. S.; Hwang, M. K.; Lee, Y. S.; Lee, W. J. [KAERI, Taejon (Korea, Republic of)

    1999-10-01

    The readability of MARS code has been enhanced greatly by replacing the bit-packed word with several logical words and integer words and recoding the related subroutines, which have the complicated bit operations and packed words. Functional improvements of code has been achieved through the multiple uses of dynamic link libraries(DLL) for containment analysis module CONTEMPT4 and multidimensional kinetics analysis module MASTER. The establishment of integrated analysis system, MARS/CONTEMPT/MASTER, was validated through the verification calculation for a postulated problem. MARS user-friendly features are also improved by displaying the 2D contour map of 3 D module data on-line. In addition to the on-line-graphics, the MARS windows menus were upgraded to include the on-line-manual, pre-view of input and output, and link to MARS web site. As a result, the readability, applicability, and user-friendly features of MARS code has been greatly enhanced.

  11. Improvement of MARS code through the removal of bit-packed words and multiple use of DLLs (Dynamic Link Library)

    International Nuclear Information System (INIS)

    Jung, B. D.; Jung, J. J.; Ha, K. S.; Hwang, M. K.; Lee, Y. S.; Lee, W. J.

    1999-01-01

    The readability of MARS code has been enhanced greatly by replacing the bit-packed word with several logical words and integer words and recoding the related subroutines, which have the complicated bit operations and packed words. Functional improvements of code has been achieved through the multiple uses of dynamic link libraries(DLL) for containment analysis module CONTEMPT4 and multidimensional kinetics analysis module MASTER. The establishment of integrated analysis system, MARS/CONTEMPT/MASTER, was validated through the verification calculation for a postulated problem. MARS user-friendly features are also improved by displaying the 2D contour map of 3 D module data on-line. In addition to the on-line-graphics, the MARS windows menus were upgraded to include the on-line-manual, pre-view of input and output, and link to MARS web site. As a result, the readability, applicability, and user-friendly features of MARS code has been greatly enhanced

  12. Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

    CERN Document Server

    Heimel, G; Oehzelt, M; Hummer, K; Koppelhuber-Bitschnau, B; Porsch, F; Ambrosch-Draxl, C; Resel, R

    2003-01-01

    We report on pressure-induced structural changes in crystalline oligo(para-phenylenes) containing two to six phenyl rings. The results are discussed with particular emphasis put on the implications these changes in intermolecular distances and molecular arrangement have on important bulk properties of this class of materials, such as optical response and charge transport. We performed energy dispersive x-ray diffraction in a systematic study on polycrystalline powders of biphenyl, para-terphenyl, p-quaterphenyl, p-quinquephenyl and p-sexiphenyl under hydrostatic pressure up to 60 kbar. Revisiting the crystal structures at ambient conditions reveals details in the packing principle. A linear relationship between the density at ambient conditions and the number of phenyl rings is found. High pressure data not only yields pressure-dependent lattice parameters and hints towards pressure-induced changes in the molecular arrangement but also allows for an analysis of the equations of state of these substances as a ...

  13. Supersonic N-Crowdions in a Two-Dimensional Morse Crystal

    Science.gov (United States)

    Dmitriev, S. V.; Korznikova, E. A.; Chetverikov, A. P.

    2018-03-01

    An interstitial atom placed in a close-packed atomic row of a crystal is called crowdion. Such defects are highly mobile; they can move along the row, transferring mass and energy. We generalize the concept of a classical supersonic crowdion to an N-crowdion in which not one but N atoms move simultaneously with a high velocity. Using molecular dynamics simulations for a close-packed two-dimensional Morse crystal, we show that N-crowdions transfer mass much more efficiently, because they are capable of covering large distances while having a lower total energy than that of a classical 1-crowdion.

  14. Co-crystal of (R,R)-1,2-cyclohexanediol with (R,R)-tartaric acid, a key structure in resolution of the ({+-})-trans-diol by supercritical extraction, and the related ternary phase system

    Energy Technology Data Exchange (ETDEWEB)

    Thorey, Paul [Department of Chemical and Environmental Process Engineering, Budapest University of Technology and Economics, H-1521 Budapest (Hungary); Bombicz, Petra [Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Science, H-1525 Budapest (Hungary); Szilagyi, Imre Miklos [Material Structure and Modeling Research Group, Hungarian Academy of Sciences, H-1111 Budapest (Hungary); Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1521 Budapest (Hungary); Molnar, Peter; Bansaghi, Gyoergy; Szekely, Edit; Simandi, Bela [Department of Chemical and Environmental Process Engineering, Budapest University of Technology and Economics, H-1521 Budapest (Hungary); Parkanyi, Laszlo [Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Science, H-1525 Budapest (Hungary); Pokol, Gyoergy [Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1521 Budapest (Hungary); Madarasz, Janos, E-mail: madarasz@mail.bme.hu [Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1521 Budapest (Hungary)

    2010-01-10

    A novel co-crystal of trans-(R,R)-1,2-cyclohexanediol and (R,R)-tartaric acid (with 1:1 molar ratio, 1) has been found to be a key crystalline compound in the improved resolution of ({+-})-trans-1,2-cyclohexanediol by supercritical fluid extraction. The molecular and crystal structure of this co-crystal, which crystallizes in orthorhombic crystal system (space group P2{sub 1}2{sub 1}2{sub 1}, a = 6.7033(13) A, b = 7.2643(16), c = 24.863(5), Z = 4), has been solved by single crystal X-ray diffraction (R = 0.064). The packing arrangement consists of two dimensional layers of sandwich-like sheets, where the inner part is constructed by double layers of tartaric acids which hydrophilicity is 'covered' on both upper and bottom side by cyclohexanediols with the hydrophobic cyclohexane rings pointing outward. Thus, a rather complex hydrogen bonding pattern is constructed. The relatively high melting point (133 {sup o}C) observed by both simultaneous TG/DTA and DSC, and the main features of FTIR-spectrum of 1 are explained by the increased stability of this crystal structure. DSC studies on binary mixtures of co-crystal 1 with (R,R)-1,2-cyclohexanediol or (R,R)-tartaric acid, revealed eutectic temperatures of T{sub eu} = 100 or 131 {sup o}C, respectively. Between (S,S)-1,2-cyclohexanediol and (R,R)-tartaric acid a eutectic temperature of T{sub eu} = 85 {sup o}C have also been observed. The phase relations have been confirmed by powder X-ray diffraction, as well.

  15. Novel Crystal Structure C60 Nanowire

    Science.gov (United States)

    Mickelson, William; Aloni, Shaul; Han, Weiqiang; Cumings, John; Zettl, Alex

    2003-03-01

    We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride (BN) nanotubes. For small-diameter BN tubes, the wire consists of a linear chain of C60's. With increasing BN tube inner diameter, novel C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) which are unknown for bulk or thin film forms of C60. C60 in BN nanotubes presents a model system for studying the properties of new dimensionally-constrained "silo" crystal structures.

  16. Scalable synthesis of 5,11-diethynylated indeno[1,2-b]fluorene-6,12-diones and exploration of their solid state packing

    Directory of Open Access Journals (Sweden)

    Bradley D. Rose

    2014-09-01

    Full Text Available We report a new synthetic route to 5,11-disubstituted indeno[1,2-b]fluorene-6,12-diones that is amenable to larger scale reactions, allowing for the preparation of gram amounts of material. With this new methodology, we explored the effects on crystal packing morphology for the indeno[1,2-b]fluorene-6,12-diones by varying the substituents on the silylethynyl groups.

  17. Organic Semiconductor-Containing Supramolecules: Effect of Small Molecule Crystallization and Molecular Packing

    KAUST Repository

    Rancatore, Benjamin J.; Kim, BongSoo; Mauldin, Clayton E.; Frechet, Jean; Xu, Ting

    2016-01-01

    on these highly crystalline molecules differs from their less crystalline counterparts. Here, two families of organic semiconductor SMs are investigated, where the composition of the crystalline core, the location (side- vs end-functionalization) of the alkyl

  18. Features of Crystallization of Rapidly Quenched Ni45Ti32Hf18Cu5 and Ni25Ti32Hf18Cu25 Alloys from Melt with High-Temperature Shape Memory Effect

    Science.gov (United States)

    Pushin, A. V.; Pushin, V. G.; Kuntsevich, T. E.; Kuranova, N. N.; Makarov, V. V.; Uksusnikov, A. N.; Kourov, N. I.

    2017-12-01

    A comparative study of the structure and the chemical and phase composition of Ni45Ti32Hf18Cu5 and Ni25Ti32Hf18Cu25 amorphous alloys obtained by fast-quenching of melt stream by spinning has been carried out by transmission and scanning electron microscopy and X-ray diffraction. The critical temperatures of their devitrification were determined by the data of temperatures measurements of electrical resistance. The features of the formation of ultrafine structure and the phase transformation at the vitrification depending on the regimes of heat treatment and chemical composition of alloy have been established.

  19. Modi ed strip packing heuristics for the rectangular variable-sized ...

    African Journals Online (AJOL)

    Two packing problems are considered in this paper, namely the well-known strip packing problem (SPP) and the variable-sized bin packing problem (VSBPP). A total of 252 strip packing heuristics (and variations thereof) from the literature, as well as novel heuristics proposed by the authors, are compared statistically by ...

  20. Photonic time crystals.

    Science.gov (United States)

    Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia

    2017-12-07

    When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.

  1. Multi-Objective Control of Balancing Systems for Li-Ion Battery Packs

    DEFF Research Database (Denmark)

    Barreras, Jorge Varela; Pinto, Claudio; de Castro, Ricardo

    2014-01-01

    While a great number of battery balancing circuit topologies have been proposed, the unique control objective typically pursued is equalization of single cell charge. However, a balancing circuit could offer potentially more control features, especially with topologies able to provide bidirection...... and evaluated for a battery pack made up of 48 large format Li-Ion cells in series in a e-mobility application. Simulation results demonstrate the technical feasibility of this newly defined concept.......While a great number of battery balancing circuit topologies have been proposed, the unique control objective typically pursued is equalization of single cell charge. However, a balancing circuit could offer potentially more control features, especially with topologies able to provide bidirectional...... in terminal cell voltage. Secondly, thermal management, to achieve a more uniform temperature distribution within a battery pack. Third, on-board diagnosis or fault detection tools, e.g. to perform characterization tests or to identify and even isolate problematic cells. In this paper, this issue is discussed...

  2. Performance of high-rate gravel-packed oil wells

    Energy Technology Data Exchange (ETDEWEB)

    Unneland, Trond

    2001-05-01

    Improved methods for the prediction, evaluation, and monitoring of performance in high-rate cased-hole gravel-packed oil wells are presented in this thesis. The ability to predict well performance prior to the gravel-pack operations, evaluate the results after the operation, and monitor well performance over time has been improved. This lifetime approach to performance analysis of gravel-packed oil wells contributes to increase oil production and field profitability. First, analytical models available for prediction of performance in gravel-packed oil wells are reviewed, with particular emphasis on high-velocity flow effects. From the analysis of field data from three North Sea oil fields, improved and calibrated cased-hole gravel-pack performance prediction models are presented. The recommended model is based on serial flow through formation sand and gravel in the perforation tunnels. In addition, new correlations for high-velocity flow in high-rate gravel-packed oil wells are introduced. Combined, this improves the performance prediction for gravel-packed oil wells, and specific areas can be targeted for optimized well design. Next, limitations in the current methods and alternative methods for evaluation and comparison of well performance are presented. The most widely used parameter, the skin factor, remains a convenient and important parameter. However, using the skin concept in direct comparisons between wells with different reservoir properties may result in misleading or even invalid conclusions. A discussion of the parameters affecting the skin value, with a clarification of limitations, is included. A methodology for evaluation and comparison of gravel-packed well performance is presented, and this includes the use of results from production logs and the use of effective perforation tunnel permeability as a parameter. This contributes to optimized operational procedures from well to well and from field to field. Finally, the data sources available for

  3. Hydrogen bonding discotic liquid crystals: Synthesis, self-assembly, and molecular recognition

    Science.gov (United States)

    Bushey, Mark Lawrence

    The triamides shown below form discotic liquid crystalline phases with intermolecular hydrogen bonding stabilizing the columnar structure, A and B. The mesomorphic orientations of the columns are dependent on the amide side chain. Three mesophasic orientations are described: columns aligned perpendicular to the surface, columns aligned parallel to the surface in a radial pattern, and columns aligned parallel to the surface in a parallel or aligned pattern. The aggregation of the tridodecyloxy-triamides show N-H shifting in the IR at elevated temperatures, an indication that hydrogen bonding is important in the association of liquid crystalline mesophases. Powder X-ray diffraction studies indicate packing of the columns into a hexagonal lattice.* Studies on triamides with chiral side chains result in molecules stacking into columns displaying a helical pitch. In concentrated solutions of dodecane, molecules with chiral side chains display behavior consistent with chiral nematic liquid crystals; a super helical packing of the chiral columns. These superhelical packed systems show temperature dependent selective reflection of visible light and fingerprint textures. Atomic force microscopy (AFM) confirms in sub-monolayer films, that molecules preferring an edge-on orientation form long columns on highly ordered pyrolytic graphite (HOPG), those that prefer a face-on orientation form large amorphous domains. Electrostatic force microscopy (EFM) images of the domains of molecules in the edge-on orientation provides no discernible polarity, imaging of the domains of molecules in the face-on orientation indicates a negative polar orientation. Scanning probe measurements (SPM) of the tridodecynyl-triamide have shown similar edge-on orientations of other tridodecyloxy-triamides. Powder X-ray diffraction of these liquid crystalline phases shows a hexagonal packing of the columnar assembly. Electro-optic switching studies indicate a piezoelectric switching mechanism, possibly

  4. Decontamination of Chlorpyrifos packing using ionizing radiation: processing optimization

    International Nuclear Information System (INIS)

    Mori, Manoel Nunes; Sampa, Maria Helena de Oliveira; Duarte, Celina Lopes

    2007-01-01

    The discharge of empty plastic packing of pesticide can be an environmental concern causing problems to human health, animals and plants if done without inspection and monitoring. Among the commercial pesticides, chlorpyrifos, o, o- Diethyl - o- (3,5,6 - trichloro - 2 - pyridyl) phosphorothioate, has significant importance because of its wide distribution, extensive use and persistence. The most commonly used formulations include the emulsified concentrate, granule, wet powder and dispersible granule has significant importance because of its wide distribution and extensive use and persistence. The hydroxyl .OH attack is the most efficient process of chemical oxidation. The degradation-induced of chlorpyrifos by gamma radiolysis was studied in packaging of high-density polyethylene tree layer coextruded, named COEX, irradiated intact and fragments. The intact packing was irradiated with water and the fragmented packing was irradiated with water and with a solution of 50% of water and 50% of acetonitrile. An AECL 'Gammacell 2201 60 Co source and a multipurpose gamma irradiator were used in the processing. The chemical analysis of the chlorpyrifos and by-products were made using a gas chromatography associated to the mass spectrometry (MSGC-Shimadzu QP5000. Radiation processing of packing in pieces showed higher efficiency in removing chlorpyrifos than whole packing. The presence of water showed fundamental to promote the formation of frees radicals and acetonitrile facilitate the dissolution of chlorpyrifos and consequently its removal. (author)

  5. Decontamination of Chlorpyrifos packing using ionizing radiation: processing optimization

    Energy Technology Data Exchange (ETDEWEB)

    Mori, Manoel Nunes; Sampa, Maria Helena de Oliveira; Duarte, Celina Lopes [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)]. E-mails: mnmori@ipen.br; mhosampa@ipen.br; clduarte@ipen.br

    2007-07-01

    The discharge of empty plastic packing of pesticide can be an environmental concern causing problems to human health, animals and plants if done without inspection and monitoring. Among the commercial pesticides, chlorpyrifos, o, o- Diethyl - o- (3,5,6 - trichloro - 2 - pyridyl) phosphorothioate, has significant importance because of its wide distribution, extensive use and persistence. The most commonly used formulations include the emulsified concentrate, granule, wet powder and dispersible granule has significant importance because of its wide distribution and extensive use and persistence. The hydroxyl .OH attack is the most efficient process of chemical oxidation. The degradation-induced of chlorpyrifos by gamma radiolysis was studied in packaging of high-density polyethylene tree layer coextruded, named COEX, irradiated intact and fragments. The intact packing was irradiated with water and the fragmented packing was irradiated with water and with a solution of 50% of water and 50% of acetonitrile. An AECL 'Gammacell 2201 {sup 60}Co source and a multipurpose gamma irradiator were used in the processing. The chemical analysis of the chlorpyrifos and by-products were made using a gas chromatography associated to the mass spectrometry (MSGC-Shimadzu QP5000. Radiation processing of packing in pieces showed higher efficiency in removing chlorpyrifos than whole packing. The presence of water showed fundamental to promote the formation of frees radicals and acetonitrile facilitate the dissolution of chlorpyrifos and consequently its removal. (author)

  6. SPH Modelling of Sea-ice Pack Dynamics

    Science.gov (United States)

    Staroszczyk, Ryszard

    2017-12-01

    The paper is concerned with the problem of sea-ice pack motion and deformation under the action of wind and water currents. Differential equations describing the dynamics of ice, with its very distinct mateFfigrial responses in converging and diverging flows, express the mass and linear momentum balances on the horizontal plane (the free surface of the ocean). These equations are solved by the fully Lagrangian method of smoothed particle hydrodynamics (SPH). Assuming that the ice behaviour can be approximated by a non-linearly viscous rheology, the proposed SPH model has been used to simulate the evolution of a sea-ice pack driven by wind drag stresses. The results of numerical simulations illustrate the evolution of an ice pack, including variations in ice thickness and ice area fraction in space and time. The effects of different initial ice pack configurations and of different conditions assumed at the coast-ice interface are examined. In particular, the SPH model is applied to a pack flow driven by a vortex wind to demonstrate how well the Lagrangian formulation can capture large deformations and displacements of sea ice.

  7. Important notice for Windows 2000 Service Pack 3 computers

    CERN Multimedia

    The NICE Team

    2005-01-01

    Microsoft is ending support for Windows 2000 Service Pack 3, which was introduced in 2002. As a consequence, computers running Windows 2000 Service Pack 3 (or older versions1)) must be updated. It is recommended that Windows 2000 computers be re-installed with Windows XP Service Pack 2 (see http://cern.ch/Win/Services/Installation/Diane). If this is not possible for compatibility reasons, Windows 2000 Service Pack 4 must be installed to ensure the computers continue to receive security patches (see http://cern.ch/Win/Docs/2000SP4). In the next few days, NICE 2000 computers requiring an update will receive a pop-up window with instructions. Users requiring help with the update can contact Helpdesk@cern.ch or call 78888. If your computer needs to be updated you are recommended to read the additional information available at http://cern.ch/Win/Docs/2000SP3. The NICE Team 1) To determine your Windows service pack version, use the ‘Start' button and select ‘Run'. In the new window that open...

  8. Important notice for Windows 2000 Service Pack 3 computers

    CERN Multimedia

    The NICE Team

    2005-01-01

    Microsoft is ending support for Windows 2000 Service Pack 3, which was introduced in 2002. As a consequence, computers running Windows 2000 Service Pack 3 (or older versions1) ) must be updated. It is recommended that Windows 2000 computers be re-installed with Windows XP Service Pack 2 (see http://cern.ch/Win/Services/Installation/Diane). If this is not possible for compatibility reasons, Windows 2000 Service Pack 4 must be installed to ensure the computers continue to receive security patches (see http://cern.ch/Win/Docs/2000SP4). In the next few days, NICE 2000 computers requiring an update will receive a pop-up window with instructions. Users requiring help with the update can contact Helpdesk@cern.ch or call 78888. If your computer needs to be updated you are recommended to read the additional information available at http://cern.ch/Win/Docs/2000SP3. The NICE Team 1) To determine your Windows service pack version, use the ‘Start' button and select ‘Run'. In the new window that opens, type ‘wi...

  9. Effects of tellurium concentration on the structure of melt-grown ZnSe crystals

    International Nuclear Information System (INIS)

    Atroshchenko, Lyubov V.; Galkin, Sergey N.; Rybalka, Irina A.; Voronkin, Evgeniy F.; Lalayants, Alexandr I.; Ryzhikov, Vladimir D.; Fedorov, Alexandr G.

    2005-01-01

    It has been shown that isovalent doping by tellurium positively affects the structural perfection of ZnSe crystals related to the completeness of the wurtzite-sphalerite phase transition. The optimum concentration range of tellurium in ZnSe crystals is 0.3-0.6 mass %. X-ray diffraction studies have shown that in ZnSe 1-x Te x crystals at tellurium concentrations below 0.3 mass % twinning and packing defects occur, while tellurium concentrations above 0.6 mass % lead to formation of tetragonal crystal lattice

  10. Stress concentrations in an impregnated fibre bundle with random fibre packing

    OpenAIRE

    Swolfs, Y.; Gorbatikh, L.; Romanov, V.; Orlova, S.; Lomov, S. V.; Verpoest, I.

    2013-01-01

    The stress redistribution after a single fibre break is a fundamental issue in longitudinal strength models for unidirectional composites. Current models assume hexagonal or square fibre packings. In the present work, random fibre packings were modelled using 3D finite element analysis and compared to ordered fibre packings. Significant differences in the stress redistribution are found. Compared to square and hexagonal packings, random fibre packings result in smaller stress concentration fa...

  11. Packing properties 1-alkanols and alkanes in a phospholipid membrane

    DEFF Research Database (Denmark)

    Westh, Peter

    2006-01-01

    We have used vibrating tube densitometry to investigate the packing properties of four alkanes and a homologous series of ten alcohols in fluid-phase membranes of dimyristoyl phosphatidylcholine (DMPC). It was found that the volume change of transferring these compounds from their pure states int...... into the membrane core, which is loosely packed. In this region, they partially occupy interstitial (or free-) volume, which bring about a denser molecular packing and generate a negative contribution to Vm(puremem)....... into the membrane, Vm(puremem), was positive for small (C4-C6) 1-alkanols while it was negative for larger alcohols and all alkanes. The magnitude of Vm(puremem) ranged from about +4 cm3/mol for alcohols with an alkyl chain about half the length of the fatty acids of DMPC, to -10 to -15 cm3/mol for the alkanes...

  12. Experimental performance evaluation of sintered Gd spheres packed beds

    DEFF Research Database (Denmark)

    Tura, A.; Nielsen, Klaus K.; Van Nong, Ngo

    2016-01-01

    Research in magnetic refrigeration heavily relies on the use of packed spheres in regenerators, however little investigation to verify that such non-monolithic arrangements guarantee a sufficiently constrained structure has yet been performed. This work presents a preliminary comparison of the pe......Research in magnetic refrigeration heavily relies on the use of packed spheres in regenerators, however little investigation to verify that such non-monolithic arrangements guarantee a sufficiently constrained structure has yet been performed. This work presents a preliminary comparison...... of the performance of AMRs consisting of Gd spheres with diameters ranging from 450-550 microns partially sintered by Spark Plasma Sintering (SPS) to similar spheres, sorted in the same size range and from the same batch, but merely packed. Pressure drop is compared at uniform temperature and at a range of heat...

  13. Two-Dimensional Model of Scrolled Packings of Molecular Nanoribbons

    Science.gov (United States)

    Savin, A. V.; Mazo, M. A.

    2018-04-01

    A simplified model of the in-plane molecular chain, allowing the description of folded and scrolled packings of molecular nanoribbons of different structures, is proposed. Using this model, possible steady states of single-layer nanoribbons scrolls of graphene, graphane, fluorographene, and fluorographane (graphene hydrogenated on the one side and fluorinated on the other side) are obtained. Their stability is demonstrated and their energy is calculated as a function of the nanoribbon length. It is shown that the scrolled packing is the most energetically favorable nanoribbon conformation at long lengths. The existences of scrolled packings for fluorographene nanoribbons and the existence of two different scroll types corresponding to left- and right-hand Archimedean spirals for fluorographane nanoribbons in the chain model are shown for the first time. The simplicity of the proposed model makes it possible to consider the dynamics of scrolls of rather long molecular nanoribbons at long enough time intervals.

  14. Multi-dimensional Bin Packing Problems with Guillotine Constraints

    DEFF Research Database (Denmark)

    Amossen, Rasmus Resen; Pisinger, David

    2010-01-01

    The problem addressed in this paper is the decision problem of determining if a set of multi-dimensional rectangular boxes can be orthogonally packed into a rectangular bin while satisfying the requirement that the packing should be guillotine cuttable. That is, there should exist a series of face...... parallel straight cuts that can recursively cut the bin into pieces so that each piece contains a box and no box has been intersected by a cut. The unrestricted problem is known to be NP-hard. In this paper we present a generalization of a constructive algorithm for the multi-dimensional bin packing...... problem, with and without the guillotine constraint, based on constraint programming....

  15. Pulse amplitude and frequency effects in a pulsed packed column

    International Nuclear Information System (INIS)

    Russell, S.H.

    1954-04-01

    A study has been made of the effect on the efficiency and capacity of applying pulses of varying amplitude and frequency to a packed column. In the efficiency studies, the maximum efficiency was obtained with a pulse having an amplitude of 3/8'' and a frequency of 140 cycles per minute. Under these conditions, the column was about five times as efficient as a simple packed column. Two general types of results were obtained in the capacity studies. Under certain conditions, the capacity increased over that of a simple packed column, but under others, it decreased. Some of the factors causing this were investigated but the fundamental reasons were not determined due to a lack of personnel for the necessary experiments. (author)

  16. FY-87 packing fabrication techniques (commercial waste form) results

    International Nuclear Information System (INIS)

    Werry, E.V.; Gates, T.E.; Cabbage, K.S.; Eklund, J.D.

    1988-04-01

    This report covers the investigation of fabrication techniques associated with the development of suitable materials and methods to provide a prefabricated packing for waste packages for the Basalt Waste Isolation Project (BWIP). The principal functions of the packing are to minimize container corrosion during the 300 to 1000 years following repository closure and provide long-term control of the release of radionuclides from the waste package. The investigative work, discussed in this report, was specifically conceived to develop the design criteria for production of full-scale prototypical packing rings. The investigative work included the preparation of procedures, the preparation of fabrication materials, physical properties, and the determination of the engineering properties. The principal activities were the preparation of the materials and the determination of the physical properties. 21 refs., 20 figs., 14 tabs

  17. Pulse amplitude and frequency effects in a pulsed packed column

    Energy Technology Data Exchange (ETDEWEB)

    Russell, S H

    1954-04-15

    A study has been made of the effect on the efficiency and capacity of applying pulses of varying amplitude and frequency to a packed column. In the efficiency studies, the maximum efficiency was obtained with a pulse having an amplitude of 3/8'' and a frequency of 140 cycles per minute. Under these conditions, the column was about five times as efficient as a simple packed column. Two general types of results were obtained in the capacity studies. Under certain conditions, the capacity increased over that of a simple packed column, but under others, it decreased. Some of the factors causing this were investigated but the fundamental reasons were not determined due to a lack of personnel for the necessary experiments. (author)

  18. A Heuristic Algorithm for Solving Triangle Packing Problem

    Directory of Open Access Journals (Sweden)

    Ruimin Wang

    2013-01-01

    Full Text Available The research on the triangle packing problem has important theoretic significance, which has broad application prospects in material processing, network resource optimization, and so forth. Generally speaking, the orientation of the triangle should be limited in advance, since the triangle packing problem is NP-hard and has continuous properties. For example, the polygon is not allowed to rotate; then, the approximate solution can be obtained by optimization method. This paper studies the triangle packing problem by a new kind of method. Such concepts as angle region, corner-occupying action, corner-occupying strategy, and edge-conjoining strategy are presented in this paper. In addition, an edge-conjoining and corner-occupying algorithm is designed, which is to obtain an approximate solution. It is demonstrated that the proposed algorithm is highly efficient, and by the time complexity analysis and the analogue experiment result is found.

  19. Photonic Crystal Fibers

    National Research Council Canada - National Science Library

    Kristiansen, Rene E

    2005-01-01

    This report results from a contract tasking Crystal Fibre A/S as follows: Crystal Fibre will conduct research and development of large mode area, dual clad multi-core Yb-doped photonic crystal fiber...

  20. A Quantitative Study on Packing Density and Pozzolanic Activity of Cementitious Materials Based on the Compaction Packing Model

    International Nuclear Information System (INIS)

    Gong, Jianqing; Chou, Kai; Huang, Zheng Yu; Zhao, Minghua

    2014-01-01

    A brief introduction to the theoretical basis of compaction packing model (CPM) and an over-view of the principle of the specific strength method provided the starting point of this study. Then, research on quantitative relations was carried out to find the correlation between the contribution rate of the pozzolanic activity and the contribution value of packing density when CPM was applied to fine powder mixture systems. The concept of the contribution value of the packing density being in direct correspondence with the contribution rate was proved by the compressive strength results and SEM images. The results indicated that the variation rule of the contribution rate of the pozzolanic activity is similar to that of the contribution value of packing density as calculated by CPM. This means the contribution value of the packing density could approximately simulate the change tendency of the contribution rate of the pozzolanic activity, which is of significant value for the future of mix designs for high and ultra-high performance concrete

  1. PENGARUH POROSITAS PACKING STEEL WOOL TERHADAP PRESSURE DROP DIDALAM PACKED BED COLUMN PADA DISTILASI CAMPURAN ETANOL-AMIL-ALKOHOL-AIR

    Directory of Open Access Journals (Sweden)

    Trisna Kumala Dhaniswara

    2016-08-01

    Full Text Available Inventories of petroleum fuels are increasingly depleted and will someday run out. These shortcomings can be overcome by using alternative fuels, such as ethanol. Based on this, it is necessary to research and development of ethanol as a fuel. One way is with a separation in a packed distillation column. This study aims to assess the mass transfer phenomena that occur in the process of distilling a mixture of ethanol-water-amyl alcohol packed in column. In addition, this study aims to optimize temperature and reflux to obtain the highest levels of ethanol. This research method uses packed bed distillation system with the batch process. Feed used is synthetic ethanol, water, and solvent. Solvent used were amyl alcohol. Doing distillation with heating temperature is maintained. Distillation is done in the packing of stainless steel wool. Research carried out in a batch process with a variable temperature of  79°C; 84°C; 91°C; and porosity packing 20%; 30%; 40%; 50%; 60%; 70%; 80%.

  2. Forced Convection Heat Transfer of a sphere in Packed Bed Arrangement

    International Nuclear Information System (INIS)

    Lee, Dong-Young; Chung, Bum-Jin

    2016-01-01

    This paper analysis and discuss the forced convective heat transfer from heated single sphere, which is buried in unheated packed bed, depending on Re d with porosity. The present work determines the test matrix for the packed bed experiment. And this study discuss difference of heat transfer according to the location of heated sphere and compared heated bed with heated sphere in packed bed and compared FCC (Face Centered Cubic), HCP (Hexagonal Closed Packed) structured packed bed with random packed. This paper is to discuss and make the plan to experiment the heat transfer for depending on location of heated single sphere in unheated packed bed, to compare single sphere in packed bed with heated packed bed and to compare the structured packed bed with random packed bed. The Nu d increase as heated single sphere is close to the wall and bottom because of increasing porosity and enhancing eddy motion respectively. The existing experiment of heated sphere in packed bed do not consider the preheating effect which decrease heat transfer on downstream. The heat transfer rate of structured packed bed is different from random packed bed because of unsteady flow in random packed bed. In this study, mass transfer experiments will replace heat transfer experiments based on analogy concept. An electroplating system is adopted using limiting current technique

  3. Forced Convection Heat Transfer of a sphere in Packed Bed Arrangement

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dong-Young; Chung, Bum-Jin [Kyung Hee University, Yongin (Korea, Republic of)

    2016-10-15

    This paper analysis and discuss the forced convective heat transfer from heated single sphere, which is buried in unheated packed bed, depending on Re{sub d} with porosity. The present work determines the test matrix for the packed bed experiment. And this study discuss difference of heat transfer according to the location of heated sphere and compared heated bed with heated sphere in packed bed and compared FCC (Face Centered Cubic), HCP (Hexagonal Closed Packed) structured packed bed with random packed. This paper is to discuss and make the plan to experiment the heat transfer for depending on location of heated single sphere in unheated packed bed, to compare single sphere in packed bed with heated packed bed and to compare the structured packed bed with random packed bed. The Nu{sub d} increase as heated single sphere is close to the wall and bottom because of increasing porosity and enhancing eddy motion respectively. The existing experiment of heated sphere in packed bed do not consider the preheating effect which decrease heat transfer on downstream. The heat transfer rate of structured packed bed is different from random packed bed because of unsteady flow in random packed bed. In this study, mass transfer experiments will replace heat transfer experiments based on analogy concept. An electroplating system is adopted using limiting current technique.

  4. Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile

    Directory of Open Access Journals (Sweden)

    Damon A. Parrish

    2015-07-01

    Full Text Available In the title compound, C5N6, all the atoms are approximately coplanar. In the crystal, molecules are packed with short contact distances of 2.885 (2 (between the diazo N atom connected to the ring and a cyano N atom on a neighboring molecule and 3.012 (2 Å (between the terminal diazo N atom and an N atom of a neighboring imidazole ring.

  5. The sintering behavior of close-packed spheres

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Tikare, V.; Frandsen, Henrik Lund

    2012-01-01

    The sintering behavior of close-packed spheres is investigated using a numerical model. The investigated systems are the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed spheres (hcp). The sintering behavior is found to be ideal, with no grain growth until full dens...... density is reached for all systems. During sintering, the grains change shape from spherical to tetrakaidecahedron, similar to the geometry analyzed by Coble [R.L. Coble, J. Appl. Phys. 32 (1961) 787]....

  6. Growth of Vanadium Carbide by Halide-Activated Pack Diffusion

    DEFF Research Database (Denmark)

    Fernandes, Frederico Augusto Pires; Christiansen, Thomas Lundin; Dahl, Kristian Vinter

    The present work investigates growth of vanadium carbide (VC) layers by the pack diffusion method on a Vanadis 6 tool steel. The VC layers were produced by pack diffusion at 1000°C for 1, 4 and 16 hours. The VC layers were characterized with optical and electron microscopy, Vickers hardness tests...... and X-ray diffraction. Homogeneous VC mono-phase layers with Vickers hardness of more than 2400 HV were obtained. Hardening and tempering of the vanadized Vanadis 6 steel did not affect the VC layers....

  7. Photoneutron and Photonuclear Cross Sections According to Packed cluster Model

    International Nuclear Information System (INIS)

    El-Mekkawi, L.S.; El-Bakty, O.M.

    1998-01-01

    Photonuclear gross sections have been estimated for 232 Th, 237 Np, 239 Pu, 233 U, 234 U, 235 U, 238 U in the energy range from threshold up to 20 MeV, by perturbation balance in Packed Cluster. The Packed Cluster (gamma, f) and (gamma, n) cross sections require complete absence of any (gamma,2n) or (gamma,nf) cross sections for 233 U and 234 U as in experiment. It also explains the early (gamma,n) and gamma,nf) reactions in 235 U

  8. Crystallization and preliminary X-ray diffraction analysis of West Nile virus

    International Nuclear Information System (INIS)

    Kaufmann, Bärbel; Plevka, Pavel; Kuhn, Richard J.; Rossmann, Michael G.

    2010-01-01

    Crystals of infectious West Nile virus were obtained and diffracted at best to about 25 Å resolution. Preliminary analysis of the diffraction pattern suggested tight hexagonal packing of the intact virus. West Nile virus, a human pathogen, is closely related to other medically important flaviviruses of global impact such as dengue virus. The infectious virus was purified from cell culture using polyethylene glycol (PEG) precipitation and density-gradient centrifugation. Thin amorphously shaped crystals of the lipid-enveloped virus were grown in quartz capillaries equilibrated by vapor diffusion. Crystal diffraction extended at best to a resolution of about 25 Å using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a ≃ b ≃ 480 Å, γ = 120°, suggesting a tight hexagonal packing of one virus particle per unit cell

  9. Spatially resolved analysis of short-range structure perturbations in a plastically bent molecular crystal

    Science.gov (United States)

    Panda, Manas K.; Ghosh, Soumyajit; Yasuda, Nobuhiro; Moriwaki, Taro; Mukherjee, Goutam Dev; Reddy, C. Malla; Naumov, Panče

    2015-01-01

    The exceptional mechanical flexibility observed with certain organic crystals defies the common perception of single crystals as brittle objects. Here, we describe the morphostructural consequences of plastic deformation in crystals of hexachlorobenzene that can be bent mechanically at multiple locations to 360° with retention of macroscopic integrity. This extraordinary plasticity proceeds by segregation of the bent section into flexible layers that slide on top of each other, thereby generating domains with slightly different lattice orientations. Microscopic, spectroscopic and diffraction analyses of the bent crystal showed that the preservation of crystal integrity when stress is applied on the (001) face requires sliding of layers by breaking and re-formation of halogen-halogen interactions. Application of stress on the (100) face, in the direction where π···π interactions dominate the packing, leads to immediate crystal disintegration. Within a broader perspective, this study highlights the yet unrecognized extraordinary malleability of molecular crystals with strongly anisotropic supramolecular interactions.

  10. Plastic deformation of tubular crystals by dislocation glide.

    Science.gov (United States)

    Beller, Daniel A; Nelson, David R

    2016-09-01

    Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

  11. A unified picture of the crystal structures of metals

    Science.gov (United States)

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  12. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  13. Di-n-butylbis[N-(2-methoxyethyl-N-methyldithiocarbamato-κ2S,S′]tin(IV: crystal structure and Hirshfeld surface analysis

    Directory of Open Access Journals (Sweden)

    Rapidah Mohamad

    2017-02-01

    Full Text Available The complete molecule of the title compound, [Sn(C4H92(C5H10NOS22], is generated by a crystallographic mirror plane, with the SnIV atom and the two inner methylene C atoms of the butyl ligands lying on the mirror plane; statistical disorder is noted in the two terminal ethyl groups, which deviate from mirror symmetry. The dithiocarbamate ligand coordinates to the metal atom in an asymmetric mode with the resulting C2S4 donor set defining a skew trapezoidal bipyramidal geometry; the n-butyl groups are disposed to lie over the longer Sn—S bonds. Supramolecular chains aligned along the a-axis direction and sustained by methylene-C—H...S(weakly coordinating interactions feature in the molecular packing. A Hirshfeld surface analysis reveals the dominance of H...H contacts in the crystal.

  14. Volumetric interpretation of protein adsorption: interfacial packing of protein adsorbed to hydrophobic surfaces from surface-saturating solution concentrations.

    Science.gov (United States)

    Kao, Ping; Parhi, Purnendu; Krishnan, Anandi; Noh, Hyeran; Haider, Waseem; Tadigadapa, Srinivas; Allara, David L; Vogler, Erwin A

    2011-02-01

    The maximum capacity of a hydrophobic adsorbent is interpreted in terms of square or hexagonal (cubic and face-centered-cubic, FCC) interfacial packing models of adsorbed blood proteins in a way that accommodates experimental measurements by the solution-depletion method and quartz-crystal-microbalance (QCM) for the human proteins serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa). A simple analysis shows that adsorbent capacity is capped by a fixed mass/volume (e.g. mg/mL) surface-region (interphase) concentration and not molar concentration. Nearly analytical agreement between the packing models and experiment suggests that, at surface saturation, above-mentioned proteins assemble within the interphase in a manner that approximates a well-ordered array. HSA saturates a hydrophobic adsorbent with the equivalent of a single square or hexagonally-packed layer of hydrated molecules whereas the larger proteins occupy two-or-more layers, depending on the specific protein under consideration and analytical method used to measure adsorbate mass (solution depletion or QCM). Square or hexagonal (cubic and FCC) packing models cannot be clearly distinguished by comparison to experimental data. QCM measurement of adsorbent capacity is shown to be significantly different than that measured by solution depletion for similar hydrophobic adsorbents. The underlying reason is traced to the fact that QCM measures contribution of both core protein, water of hydration, and interphase water whereas solution depletion measures only the contribution of core protein. It is further shown that thickness of the interphase directly measured by QCM systematically exceeds that inferred from solution-depletion measurements, presumably because the static model used to interpret solution depletion does not accurately capture the complexities of the viscoelastic interfacial environment probed by QCM. Copyright © 2010

  15. Crystal growth and doping

    International Nuclear Information System (INIS)

    Paorici, C.

    1980-01-01

    Section 1 contains a self-consistent review of the basic growth features. After a short introduction concerning the driving force acting in a crystallization process, three main topics are broadly discussed: (i) interface kinetics; (ii) transport kinetics, and (iii) growth stability conditions. On point (i), after definition of the nature of interface, using Temkin's model, the growth mechanisms predicted by Burton, Cabrera and Frank (BCF) and bidimensional nucleation theories are fully developed. On points (ii) and (iii), the differential equations of the constitutional (concentration) and thermal fields are presented and discussed in terms of relevant approximations, suitable boundary conditions and limit values expected in order to have growth stability. Section 2 reports various experimental procedures for growing bulk crystals from the melt, from solutions and from the vapour phase. The basic concepts of Section 1 are amply employed for a critical discussion of possibilities, advantages and drawbacks of the methods described. Along the same lines, in Section 3 the principal epitaxial deposition procedures are highlighted. Section 4 contains a brief account of doping and of stoichiometry-defect control procedures. There is a long, carefully chosen list of bibliographical references. (author)

  16. Reference book for design of valve packings, sealing high temperature water

    International Nuclear Information System (INIS)

    Doubt, G.L.

    1976-01-01

    Mockups of stuffing boxes for valves in the 1/4 to 1 in. (0.6-2.54cm) pipe size range and ASA 900 and up pressure class were tested to determine how temperature, stuffing box dimensions, packing compressive stress and stem surface finish affect water leak rate, packing friction torque and packing volume loss (creep). One brand of wire-reinforced asbestos braid on graphite-and-asbestos core packing was used in all tests. The theory of leakage through porous media was reviewed with emphasis on application to packed stuffing boxes, and a mathematical framework for relating leakage and packing friction to stuffing box dimensions and compressive stress was developed. The tests gave empirical relationships (1) for leak rate vs temperature, packing compressive stress, stem diameter and packing size, (2) for packing friction torque vs the above variables and (3) for packing creep vs temperature and stress. Packing stress affected leakage far more than any other variable, the leak rate being inversely proportional to stress to the 7.3 power at a packing temperature of 350 deg F (175 deg C). Factors which increase packing compression (density) have a strong reducing effect on leakage and a moderate to zero effect on packing friction torque. Surface finish had no visible effect on leakage, torque or creep. Empirical results and theory have been combined to show how stuffing boxes can be designed for a given leakage rate. Suggestions for decreasing leakage from existing high temperature stuffing boxes are included. (author)

  17. Crystal structure and characterization of the novel NH+⋯N hydrogen bonded polar crystal [NH2(CH2)4NH][BF4

    International Nuclear Information System (INIS)

    Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.

    2012-01-01

    Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH 2 (CH 2 ) 4 NH][BF 4 ], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH + ⋯N hydrogen bonds and molecular motions of the [BF 4 ] − units. The crystal structure of [NH 2 (CH 2 ) 4 NH][BF 4 ] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. 1 H and 19 F NMR measurements indicate the reorientational motions of [BF 4 ] − anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II–I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic–inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic–inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH 2 (CH 2 ) 4 NH][BF 4 ], phase IV. The dashed lines stand for the hydrogen bonds. The hydrogen bonds to BF4 groups are not included for

  18. Unusual Crystallization Behavior Close to the Glass Transition

    Science.gov (United States)

    Desgranges, Caroline; Delhommelle, Jerome

    2018-03-01

    Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this transition. While decreasing the temperature of crystallization usually results in a lower free energy barrier, we find an unexpected reversal of behavior for glass-forming alloys as the temperature of crystallization approaches the glass transition. For this purpose, we simulate the crystallization process in two glass-forming Copper alloys, Ag6 Cu4 , which has a positive heat of mixing, and CuZr, characterized by a large negative heat of mixing. Our results allow us to identify this unusual behavior as directly correlated with a nonmonotonic temperature dependence for the formation energy of connected icosahedral structures, which are incompatible with crystalline order and impede the development of the crystal nucleus, leading to an unexpectedly larger free energy barrier at low temperature. This, in turn, promotes the formation of a predominantly closed-packed critical nucleus, with fewer defects, thereby suggesting a new way to control the structure of the crystal nucleus, which is of key importance in catalysis.

  19. Gas-solid trickle flow hydrodynamics in a packed column

    NARCIS (Netherlands)

    Westerterp, K.R.; Kuczynski, M.

    1987-01-01

    The pressure gradient and the static and the dynamic hold-up have been measured for a system consisting of a Fluid Cracking Catalyst (FCC) of 30–150 × 10−6 m diameter, trickling over a packed bed and with a gas streaming in countercurrent flow. The experiments were carried out at ambient conditions

  20. Packing of Renal Fossa: Useful Technique for Intractable Bleeding ...

    African Journals Online (AJOL)

    There is no documented study to indicate the role of prolonged packing of renal fossa (24 to 48 hours) to control bleeding in life threating haemorrhage following open pyelolithotomy without compromise in the renal functions. On the contrary emergency nephrectomy was performed for intractable bleeding during renal stone ...

  1. Packed Bed Reactor Technology for Chemical-Looping Combustion

    NARCIS (Netherlands)

    Noorman, S.; Sint Annaland, van M.; Kuipers, J.A.M.

    2007-01-01

    Chemical-looping combustion (CLC) has emerged as an alternative for conventional power production processes to intrinsically integrate power production and CO2 capture. In this work a new reactor concept for CLC is proposed, based on dynamically operated packed bed reactors. With analytical

  2. Molecular packing and area compressibility of lipid bilayers

    International Nuclear Information System (INIS)

    White, S.H.; King, G.I.

    1985-01-01

    Knowledge of the molecular packing of lipids and water in lipid bilayers is important for understanding bilayer mechanics and thermodynamics. Information on packing is most often obtained from x-ray or neutron diffraction measurements. Given the d spacing, composition, and partial specific volumes of the lipid and water, it is a simple matter to calculate the area per lipid molecule, bilayer thickness, and bilayer mass density. The partial specific volumes are commonly assumed to be those of bulk water and of lipid in excess water regardless of the degree of bilayer hydration. The authors present evidence here that these assumptions should be seriously questioned. At low hydrations, they find the head groups of egg and dioleoyl lecithin to be much less tightly packed than previously thought and the partial specific volume of water to be considerably smaller than 1 ml/g. Because the molecular packing affects the mechanical properties of bilayers, they use the results to reevaluate published experiments concerning the elastic area compressibility modulus of egg lecithin bilayers and the repulsive hydration force between bilayers

  3. Ceramic breeder pebble bed packing stability under cyclic loads

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chunbo, E-mail: chunbozhang@fusion.ucla.edu [Fusion Science and Technology Center, University of California, Los Angeles, CA 90095-1597 (United States); Ying, Alice; Abdou, Mohamed A. [Fusion Science and Technology Center, University of California, Los Angeles, CA 90095-1597 (United States); Park, Yi-Hyun [National Fusion Research Institute, Daejeon (Korea, Republic of)

    2016-11-01

    Highlights: • The feasibility of obtaining packing stability for pebble beds is studied. • The responses of pebble bed to cyclic loads have been presented and analyzed in details. • Pebble bed packing saturation and its applications are discussed. • A suggestion is made regarding the improvement of pebbles filling technique. - Abstract: Considering the optimization of blanket performance, it is desired that the bed morphology and packing state during reactor operation are stable and predictable. Both experimental and numerical work are performed to explore the stability of pebble beds, in particular under pulsed loading conditions. Uniaxial compaction tests have been performed for both KIT’s Li{sub 4}SiO{sub 4} and NFRI’s Li{sub 2}TiO{sub 3} pebble beds at elevated temperatures (up to 750 °C) under cyclic loads (up to 6 MPa). The obtained data shows the stress-strain loop initially moves towards the larger strain and nearly saturates after a certain number of cyclic loading cycles. The characterized FEM CAP material models for a Li{sub 4}SiO{sub 4} pebble bed with an edge-on configuration are used to simulate the thermomechanical behavior of pebble bed under ITER pulsed operations. Simulation results have shown the cyclic variation of temperature/stress/strain/gap and also the same saturation trend with experiments under cyclic loads. Therefore, it is feasible for pebble bed to maintain its packing stability during operation when disregarding pebbles’ breakage and irradiation.

  4. Routing Trains Through Railway Junctions: A New Set Packing Approach

    DEFF Research Database (Denmark)

    Lusby, Richard; Larsen, Jesper; Ryan, David

    how the problem can be formulated as a set packing model. To exploit the structure of the problem we present a solution procedure which entails solving the dual of this formulation through the dynamic addition of violated cuts (primal variables). A discussion of the variable (train path) generation...

  5. Udder health in a Danish compost bedded pack barn

    DEFF Research Database (Denmark)

    Svennesen, Line; Enevoldsen, Carsten; Bjerg, Bjarne Schmidt

    Besides welfare advantages of the compost bedded pack system (CBP) there could be a negative effect of the organic bedding on udder health. Our objectives were to evaluate the effects of a CBP on udder health compared to a free stall system (FS) with sand bedded cubicles. Within the same Danish...

  6. Consumer preferences for front-of-pack calories labelling

    NARCIS (Netherlands)

    Kleef, van E.; Trijp, van J.C.M.; Paeps, F.; Fernández-Celemín, L.

    2008-01-01

    Objective In light of the emerging obesity pandemic, front-of-pack calories labels may be an important tool to assist consumers in making informed healthier food choices. However, there is little prior research to guide key decisions on whether caloric content should be expressed in absolute terms

  7. Pure water syndrome: Bacteriological quality of Sachet- packed ...

    African Journals Online (AJOL)

    Pure water syndrome: Bacteriological quality of Sachet- packed drinking water ... of fecal contamination and inadequate water treatment or no treatment at all. ... of hygiene criteria were present in the range of 98 and 106 cfu/100ml of water ...

  8. Improvement for the design of packed moving bed adsorption column

    International Nuclear Information System (INIS)

    Xiao Wei

    2014-01-01

    The problems needed to pay attention to in the physical design of packed moving bed adsorption column were presented. The design of key parts such as the inlet and outlet of liquid phase and gas phase were improved. The expected effect was achieved by the improvement. (author)

  9. Minimum Energy Dissipation under Cocurrent Flow in Packed Beds

    Czech Academy of Sciences Publication Activity Database

    Akramov, T.A.; Stavárek, Petr; Jiřičný, Vladimír; Staněk, Vladimír

    2011-01-01

    Roč. 50, č. 18 (2011), s. 10824-10832 ISSN 0888-5885 R&D Projects: GA ČR GA104/09/0880 Institutional research plan: CEZ:AV0Z40720504 Keywords : energy dissipation * current flow * packed bed Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.237, year: 2011

  10. Social Interactions Sparked by Pictorial Warnings on Cigarette Packs

    Directory of Open Access Journals (Sweden)

    Marissa G. Hall

    2015-10-01

    Full Text Available The Message Impact Framework suggests that social interactions may offer smokers the opportunity to process pictorial warnings on cigarette packs more deeply. We aimed to describe adult smokers’ social interactions about pictorial cigarette pack warnings in two longitudinal pilot studies. In Pilot Study 1, 30 smokers used cigarette packs with one of nine pictorial warnings for two weeks. In Pilot Study 2, 46 smokers used cigarette packs with one of five pictorial warnings for four weeks. Nearly all smokers (97%/96% in Pilot Study 1/2 talked about the warnings with other people, with the most common people being friends (67%/87% and spouses/significant others (34%/42%. Pilot Study 2 found that 26% of smokers talked about the warnings with strangers. Discussions about the health effects of smoking and quitting smoking were more frequent during the first week of exposure to pictorial warnings than in the week prior to beginning the study (both p < 0.05. Pictorial warnings sparked social interactions about the warnings, the health effects of smoking, and quitting smoking, indicating that pictorial warnings may act as a social intervention reaching beyond the individual. Future research should examine social interactions as a potential mediator of the impact of pictorial warnings on smoking behavior.

  11. Tobacco smuggling estimates based on pack examination in Ukraine

    Directory of Open Access Journals (Sweden)

    Tatiana I Andreeva

    2017-05-01

    Cigarette pack examination as a part of tobacco surveillance allows estimating the proportion of cigarettes brought from other countries, part of which could be smuggled. This information can be used for counterbalancing the industry's statements, which usually overestimate the level of cigarette smuggling.

  12. An approximate version of the Tree Packing Conjecture

    Czech Academy of Sciences Publication Activity Database

    Böttcher, J.; Hladký, Jan; Piguet, Diana; Taraz, A.

    2016-01-01

    Roč. 211, č. 1 (2016), s. 391-446 ISSN 0021-2172 Institutional support: RVO:67985840 ; RVO:67985807 Keywords : Ringel's conjecture * Gyarfas-Lehel conjecture * Tree packing Subject RIV: BA - General Mathematics Impact factor: 0.796, year: 2016 http://link.springer.com/article/10.1007%2Fs11856-015-1277-2

  13. Microbiological Quality of Blister Pack Tablets in Community ...

    African Journals Online (AJOL)

    Methods: A total of 66 items of 22 registered blister-packed tablet brands were purchased from community pharmacies in Amman. All the items were investigated for total bacterial count and the presence of specified microorganisms using compendial procedures. Results: Out of 66 items purchased, forty eight (72.7 ...

  14. Tile-Packing Tomography Is NP-hard

    DEFF Research Database (Denmark)

    Chrobak, Marek; Dürr, Christoph; Guíñez, Flavio

    2010-01-01

    Discrete tomography deals with reconstructing finite spatial objects from their projections. The objects we study in this paper are called tilings or tile-packings, and they consist of a number of disjoint copies of a fixed tile, where a tile is defined as a connected set of grid points. A row...

  15. Model for lattice dynamics of hexagonal close packed metals

    Energy Technology Data Exchange (ETDEWEB)

    Singh, R K [Tata Inst. of Fundamental Research, Bombay (India); Kumar, S [Meerut Coll. (India). Dept. of Physics

    1977-11-19

    A lattice dynamical model, which satisfies the requirements of translational invariance as well as the static equilibrium of hexagonal close packed lattice, has been proposed and applied to study the phonon dispersion relations in magnesium. The results revealed by this model have been claimed to be better than earlier ones.

  16. Effects on Packed Cell Volume and Parasitic Worm Load from ...

    African Journals Online (AJOL)

    Their packed cell volumes were estimated with centrifuge hematocrit and stool examined for parasitic worms with saline wet prep microscopy. A dose of Albendazole was administered to the study group. The data presented in Microsoft Excel spread sheet, were then analysed using SPSS version 17, T-test and Chi Square ...

  17. The use of particle packing models to design ecological concrete

    NARCIS (Netherlands)

    Fennis, S.A.A.M.; Walraven, J.C.; Den Uijl, J.A.

    2009-01-01

    Ecological concrete can be designed by replacing cement with fillers. With low amounts of cement it becomes increasingly important to control the water demand of concrete mixtures. In this paper a cyclic design method based on particle packing is presented and evaluated on the basis of experiments

  18. Dynamic Simulation of Random Packing of Polydispersive Fine Particles

    Science.gov (United States)

    Ferraz, Carlos Handrey Araujo; Marques, Samuel Apolinário

    2018-02-01

    In this paper, we perform molecular dynamic (MD) simulations to study the two-dimensional packing process of both monosized and random size particles with radii ranging from 1.0 to 7.0 μm. The initial positions as well as the radii of five thousand fine particles were defined inside a rectangular box by using a random number generator. Both the translational and rotational movements of each particle were considered in the simulations. In order to deal with interacting fine particles, we take into account both the contact forces and the long-range dispersive forces. We account for normal and static/sliding tangential friction forces between particles and between particle and wall by means of a linear model approach, while the long-range dispersive forces are computed by using a Lennard-Jones-like potential. The packing processes were studied assuming different long-range interaction strengths. We carry out statistical calculations of the different quantities studied such as packing density, mean coordination number, kinetic energy, and radial distribution function as the system evolves over time. We find that the long-range dispersive forces can strongly influence the packing process dynamics as they might form large particle clusters, depending on the intensity of the long-range interaction strength.

  19. Mass transfer models analysis for the structured packings

    International Nuclear Information System (INIS)

    Suastegui R, A.O.

    1997-01-01

    The models that have been developing, to understand the mechanism of the mass transfer through the structured packings, present limitations for their application, existing then uncertainty in order to use them in the chemical industrial processes. In this study the main parameters used in the mass transfer are: the hydrodynamic of the bed of the column, the geometry of the bed, physical-chemical properties of the mixture and the flow regime of the operation between the flows liquid-gas. The sensibility of each one of these parameters generate an arduous work to develop right proposals and good interpretation of the phenomenon. With the purpose of showing the importance of these parameters mentioned in the mass transfer, this work is analyzed the process of absorption for the system water-air, using the models to the structured packings in packed columns. The models selected were developed by Bravo and collaborators in 1985 and 1992, in order to determine the parameters previous mentioned for the system water-air, using a structured packing built in the National Institute of Nuclear Research. In this work is showed the results of the models application and their discussion. (Author)

  20. Response of mountain meadows to grazing by recreational pack stock

    Science.gov (United States)

    David N. Cole; Jan W. van Wagtendonk; Mitchel P. McClaran; Peggy E. Moore; Neil K. McDougald

    2004-01-01

    Effects of recreational pack stock grazing on mountain meadows in Yosemite National Park were assessed in a 5-year study. Yosemite is a designated wilderness, to be managed such that its natural conditions are preserved. Studies were conducted in 3 characteristic meadow types: shorthair sedge (Carex filifolia Nutt.), Brewer’s reed grass (...

  1. Disk Density Tuning of a Maximal Random Packing.

    Science.gov (United States)

    Ebeida, Mohamed S; Rushdi, Ahmad A; Awad, Muhammad A; Mahmoud, Ahmed H; Yan, Dong-Ming; English, Shawn A; Owens, John D; Bajaj, Chandrajit L; Mitchell, Scott A

    2016-08-01

    We introduce an algorithmic framework for tuning the spatial density of disks in a maximal random packing, without changing the sizing function or radii of disks. Starting from any maximal random packing such as a Maximal Poisson-disk Sampling (MPS), we iteratively relocate, inject (add), or eject (remove) disks, using a set of three successively more-aggressive local operations. We may achieve a user-defined density, either more dense or more sparse, almost up to the theoretical structured limits. The tuned samples are conflict-free, retain coverage maximality, and, except in the extremes, retain the blue noise randomness properties of the input. We change the density of the packing one disk at a time, maintaining the minimum disk separation distance and the maximum domain coverage distance required of any maximal packing. These properties are local, and we can handle spatially-varying sizing functions. Using fewer points to satisfy a sizing function improves the efficiency of some applications. We apply the framework to improve the quality of meshes, removing non-obtuse angles; and to more accurately model fiber reinforced polymers for elastic and failure simulations.

  2. New after-loading intrauterine packing device: ten years experience

    International Nuclear Information System (INIS)

    Sklaroff, D.M.; Baker, A.S.; Tasbas, M.

    1985-01-01

    A new variation of the uterine packing device for the treatment of endometrial carcinoma is described. It combines the advantages of the Holter technique with the after-loading method described by Simon. This device has been in use for more than 10 years and has been found most satisfactory

  3. Cannabis body packing : a case report | Ngatchou | Pan African ...

    African Journals Online (AJOL)

    Cannabis body packing : a case report. ... a diffuse abdominal plain to the emergency department. Abdominal X-ray demonstrated multiple foreign bodies along the intestinal tract, which were found to be cannabis packets. The patient was treated conservatively with a good result. The Pan African Medical Journal 2016;24.

  4. Modified strip packing heuristics for the rectangular variable-sized ...

    African Journals Online (AJOL)

    Frank G Ortmann

    objects. Therefore, the packing of items into a bin may be considered as “cutting” away ... not be rotated (the oriented problem, hence the abbreviation “O”) and in ...... [32] Gilmore PC & Gomory RE, 1961, A linear programming approach to the ...

  5. Interactions between an alpha-helix and a beta-sheet. Energetics of alpha/beta packing in proteins.

    Science.gov (United States)

    Chou, K C; Némethy, G; Rumsey, S; Tuttle, R W; Scheraga, H A

    1985-12-05

    Conformational energy computations have been carried out to determine the favorable ways of packing a right-handed alpha-helix on a right-twisted antiparallel or parallel beta-sheet. Co-ordinate transformations have been developed to relate the position and orientation of the alpha-helix to the beta-sheet. The packing was investigated for a CH3CO-(L-Ala)16-NHCH3 alpha-helix interacting with five-stranded beta-sheets composed of CH3CO-(L-Val)6-NHCH3 chains. All internal and external variables for both the alpha-helix and the beta-sheet were allowed to change during energy minimization. Four distinct classes of low-energy packing arrangements were found for the alpha-helix interacting with both the parallel and the anti-parallel beta-sheet. The classes differ in the orientation of the axis of the alpha-helix relative to the direction of the strands of the right-twisted beta-sheet. In the class with the most favorable arrangement, the alpha-helix is oriented along the strands of the beta-sheet, as a result of attractive non-bonded side-chain-side-chain interactions along the entire length of the alpha-helix. A class with nearly perpendicular orientation of the helix axis to the strands is also of low energy, because it allows similarly extensive attractive interactions. In the other two classes, the helix is oriented diagonally relative to the strands of the beta-sheet. In one of them, it interacts with the convex surface near the middle of the saddle-shaped twisted beta-sheet. In the other, it is oriented along the concave diagonal of the beta-sheet and, therefore, it interacts only with the corner regions of the sheet, so that this packing is energetically less favorable. The packing arrangements involving an antiparallel and a parallel beta-sheet are generally similar, although the antiparallel beta-sheet has been found to be more flexible. The major features of 163 observed alpha/beta packing arrangements in 37 proteins are accounted for in terms of the computed

  6. Monolithic I-Beam Crystal Monochromator

    Energy Technology Data Exchange (ETDEWEB)

    Bagnasco, John

    2001-10-16

    Curved crystal, focusing monochromators featuring cubed-root thickness profiles typically employ side-clamped cooling to reduce thermally induced overall bend deformation of the crystal. While performance is improved, residual bend deformation is often an important limiting factor in the monochromator performance. A slightly asymmetric ``I-beam'' crystal cross section with cubed-root flange profiles has been developed to further reduce this effect. Physical motivation, finite-element modeling evaluation and performance characteristics of this design are discussed. Reduction of high mounting stress at the fixed end of the crystal required the soldering of an Invar support fixture to the crystal. Detailed descriptions of this process along with its performance characteristics are also presented.

  7. An on-line estimation of battery pack parameters and state-of-charge using dual filters based on pack model

    International Nuclear Information System (INIS)

    Zhang, Xu; Wang, Yujie; Yang, Duo; Chen, Zonghai

    2016-01-01

    Accurate estimation of battery pack state-of-charge plays a very important role for electric vehicles, which directly reflects the behavior of battery pack usage. However, the inconsistency of battery makes the estimation of battery pack state-of-charge different from single cell. In this paper, to estimate the battery pack state-of-charge on-line, the definition of battery pack is proposed, and the relationship between the total available capacity of battery pack and single cell is put forward to analyze the energy efficiency influenced by battery inconsistency, then a lumped parameter battery model is built up to describe the dynamic behavior of battery pack. Furthermore, the extend Kalman filter-unscented Kalman filter algorithm is developed to identify the parameters of battery pack and forecast state-of-charge concurrently. The extend Kalman filter is applied to update the battery pack parameters by real-time measured data, while the unscented Kalman filter is employed to estimate the battery pack state-of-charge. Finally, the proposed approach is verified by experiments operated on the lithium-ion battery under constant current condition and the dynamic stress test profiles. Experimental results indicate that the proposed method can estimate the battery pack state-of-charge with high accuracy. - Highlights: • A novel space state equation is built to describe the pack dynamic behavior. • The dual filters method is used to estimate the pack state-of-charge. • Battery inconsistency is considered to analyze the pack usage efficiency. • The accuracy of the proposed method is verified under different conditions.

  8. Consumer preferences for front-of-pack calories labelling

    Science.gov (United States)

    van Kleef, Ellen; van Trijp, Hans; Paeps, Frederic; Fernández-Celemín, Laura

    2008-01-01

    Objective In light of the emerging obesity pandemic, front-of-pack calories labels may be an important tool to assist consumers in making informed healthier food choices. However, there is little prior research to guide key decisions on whether caloric content should be expressed in absolute terms or relative to recommended daily intake, whether it should be expressed in per serving or per 100 g and whether the information should be further brought alive for consumers in terms of what the extra calorie intake implies in relation to activity levels. The present study aimed at providing more insight into consumers’ appreciation of front-of-pack labelling of caloric content of food products and their specific preferences for alternative execution formats for such information in Europe. Design For this purpose, eight executions of front-of-pack calorie flags were designed and their appeal and information value were extensively discussed with consumers through qualitative research in four different countries (Germany, The Netherlands, France and the UK). Results The results show that calories are well-understood and that participants were generally positive about front-of-pack flags, particularly when flags are uniform across products. The most liked flags are the simpler flags depicting only the number of calories per serving or per 100 g, while more complex flags including references to daily needs or exercise and the flag including a phrase referring to balanced lifestyle were least preferred. Some relevant differences between countries were observed. Although participants seem to be familiar with the notion of calories, they do not seem to fully understand how to apply them. Conclusion From the results, managerial implications for the design and implementation of front-of-pack calorie labelling as well as important directions for future research are discussed. PMID:17601362

  9. Consumer preferences for front-of-pack calories labelling.

    Science.gov (United States)

    van Kleef, Ellen; van Trijp, Hans; Paeps, Frederic; Fernández-Celemín, Laura

    2008-02-01

    In light of the emerging obesity pandemic, front-of-pack calories labels may be an important tool to assist consumers in making informed healthier food choices. However, there is little prior research to guide key decisions on whether caloric content should be expressed in absolute terms or relative to recommended daily intake, whether it should be expressed in per serving or per 100 g and whether the information should be further brought alive for consumers in terms of what the extra calorie intake implies in relation to activity levels. The present study aimed at providing more insight into consumers' appreciation of front-of-pack labelling of caloric content of food products and their specific preferences for alternative execution formats for such information in Europe. For this purpose, eight executions of front-of-pack calorie flags were designed and their appeal and information value were extensively discussed with consumers through qualitative research in four different countries (Germany, The Netherlands, France and the UK). The results show that calories are well-understood and that participants were generally positive about front-of-pack flags, particularly when flags are uniform across products. The most liked flags are the simpler flags depicting only the number of calories per serving or per 100 g, while more complex flags including references to daily needs or exercise and the flag including a phrase referring to balanced lifestyle were least preferred. Some relevant differences between countries were observed. Although participants seem to be familiar with the notion of calories, they do not seem to fully understand how to apply them. From the results, managerial implications for the design and implementation of front-of-pack calorie labelling as well as important directions for future research are discussed.

  10. THE INTEGRATED LAYOUT DECISIONS FOR AUTOMATIC CONTROL OF PACKING SYSTEMS

    Directory of Open Access Journals (Sweden)

    A. Volodin

    2017-06-01

    Full Text Available On many industrial objects regulators of pressure are used. Following initial data are necessary for proper selection of a regulator and calculation of throughput: a working environment, entrance and target pressure, expense, temperature of a working environment, accuracy of regulation, a class of tightness, diameter of the pipeline, type of accession, constructional materials, external or internal registration of target pressure, protection against excess of pressure.The decision of this problem is closely connected with the proved choice of types of the process equipment, wide automation of technological processes, introduction of new technical decisions, use of necessary means of the control over realization of problems of complex mechanization of technological operations. In article the analysis of work of the functional module of a vertical multiline automatic packing machine on the basis of a proportional regulator of pressure «CAMOZZI» with realization of a feedback by means of an analog signal of regulator МХ-PRO [1-3] is lead. The drive of the holder for a rolled material has been tested on proportional management of position of the directing rollers used on a technological site of supply and regulation of a tension of a tape of a roll of a packing material at formation of packing.Results on use as the operating module of regulator МХ-PRO for management of a drive of the holder for a roll of a material in view of a course and pressure in a pneumatic system are received. Carried out researches provide the way to raise operational properties of a transportation system of supply of a packing material for technological processes of packing modules at the food enterprises.

  11. Thermal conductivity model of vibro-packed fuel

    International Nuclear Information System (INIS)

    Yeon Soo, Kim

    2001-01-01

    In an effort to dispose of excess weapons grade plutonium accumulated in the cold war era in the United States and the Russian Federation, one method currently under investigation is the conversion of the plutonium into mixed oxide (MOX) reactor fuel for LWRs and fast reactors in the Russian Federation. A fuel option already partly developed at the Research Institute of Atomic Reactors (RIAR) in Dimitrovgrad is that of vibro-packed MOX. Fuel rod fabrication using powder vibro-packing is attractive because it includes neither a process too complex to operate in glove boxes (or remotely), nor a waste-producing step necessary for the conventional pellet rod fabrication. However, because of its loose bonding between fuel particles at the beginning of life, vibro-packed MOX fuel has a somewhat less effective thermal conductivity than fully sintered pellet fuel, and undergoes more restructuring. Helium would also likely be pressurized in vibro-packed MOX fuel rods for LWRs to enhance initial fuel thermal conductivity. The combination of these two factors complicates development of an accurate thermal conductivity model. But clearly in order to predict fuel thermomechanical responses during irradiation of vibro-packed MOX fuel, fuel thermal conductivity must be known. The Vibropac fuel of interest in this study refers the fuel that is compacted with irregular fragments of mixed oxide fuel. In this paper, the thermal-conductivity models in the literature that dealt with relatively similar situations to the present case are examined. Then, the best model is selected based on accuracy of prediction and applicability. Then, the selected model is expanded to fit the various situations of interest. (author)

  12. NMR spectroscopy using liquid crystal solvents

    CERN Document Server

    Emsley, JW

    2013-01-01

    NMR Spectroscopy using Liquid Crystal Solvents covers the importance of using a liquid crystal solvent in NMR to derive nuclear dipolar spin-spin coupling constants. This book is composed of ten chapters, and begins with a brief description of the features and benefits of liquid crystal in NMR spectroscopic analysis. The succeeding chapters deal with the mode of operation of nuclear spin Hamiltonian for partially oriented molecules and the analysis of NMR spectra of partially oriented molecules, as well as the determination of rigid molecule structure. These topics are followed by discussions

  13. Photonic Crystal Fibers for Sensing Applications

    Directory of Open Access Journals (Sweden)

    Ana M. R. Pinto

    2012-01-01

    Full Text Available Photonic crystal fibers are a kind of fiber optics that present a diversity of new and improved features beyond what conventional optical fibers can offer. Due to their unique geometric structure, photonic crystal fibers present special properties and capabilities that lead to an outstanding potential for sensing applications. A review of photonic crystal fiber sensors is presented. Two different groups of sensors are detailed separately: physical and biochemical sensors, based on the sensor measured parameter. Several sensors have been reported until the date, and more are expected to be developed due to the remarkable characteristics such fibers can offer.

  14. Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3Z-5-fluoro-3-(hydroxyiminoindolin-2-one

    Directory of Open Access Journals (Sweden)

    Bianca Barreto Martins

    2017-07-01

    Full Text Available The reaction between 5-fluoroisatin and hydroxylamine hydrochloride in acidic ethanol yields the title compound, C8H5FN2O2, whose molecular structure matches the asymmetric unit and is nearly planar with an r.m.s. deviation for the mean plane through all non-H atoms of 0.0363 Å. In the crystal, the molecules are linked by N—H...N, N—H...O and O—H...O hydrogen-bonding interactions into a two-dimensional network along the (100 plane, forming rings with R22(8 and R12(5 graph-set motifs. The crystal packing also features weak π–π interactions along the [100] direction [centroid-to-centroid distance 3.9860 (5 Å]. Additionally, the Hirshfeld surface analysis indicates that the major contributions for the crystal structure are the O...H (28.50% and H...F (16.40% interactions. An in silico evaluation of the title compound with the vascular endothelial growth factor receptor-2 (VEGFR-2 was carried out. The title compound and the selected biological target VEGFR-2 show the N—H...O(GLU94, (CYS96N—H...O(isatine and (PHE95N—H...O(isatine intermolecular interactions, which suggests a solid theoretical structure–activity relationship.

  15. New Electro-Thermal Battery Pack Model of an Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Muhammed Alhanouti

    2016-07-01

    Full Text Available Since the evolution of the electric and hybrid vehicle, the analysis of batteries’ characteristics and influence on driving range has become essential. This fact advocates the necessity of accurate simulation modeling for batteries. Different models for the Li-ion battery cell are reviewed in this paper and a group of the highly dynamic models is selected for comparison. A new open circuit voltage (OCV model is proposed. The new model can simulate the OCV curves of lithium iron magnesium phosphate (LiFeMgPO4 battery type at different temperatures. It also considers both charging and discharging cases. The most remarkable features from different models, in addition to the proposed OCV model, are integrated in a single hybrid electrical model. A lumped thermal model is implemented to simulate the temperature development in the battery cell. The synthesized electro-thermal battery cell model is extended to model a battery pack of an actual electric vehicle. Experimental tests on the battery, as well as drive tests on the vehicle are performed. The proposed model demonstrates a higher modeling accuracy, for the battery pack voltage, than the constituent models under extreme maneuver drive tests.

  16. Calorimetric evidence for two distinct molecular packing arrangements in stable glasses of indomethacin.

    Science.gov (United States)

    Kearns, Kenneth L; Swallen, Stephen F; Ediger, M D; Sun, Ye; Yu, Lian

    2009-02-12

    Indomethacin glasses of varying stabilities were prepared by physical vapor deposition onto substrates at 265 K. Enthalpy relaxation and the mobility onset temperature were assessed with differential scanning calorimetry (DSC). Quasi-isothermal temperature-modulated DSC was used to measure the reversing heat capacity during annealing above the glass transition temperature Tg. At deposition rates near 8 A/s, scanning DSC shows two enthalpy relaxation peaks and quasi-isothermal DSC shows a two-step change in the reversing heat capacity. We attribute these features to two distinct local packing structures in the vapor-deposited glass, and this interpretation is supported by the strong correlation between the two calorimetric signatures of the glass to liquid transformation. At lower deposition rates, a larger fraction of the sample is prepared in the more stable local packing. The transformation of the vapor-deposited glasses into the supercooled liquid above Tg is exceedingly slow, as much as 4500 times slower than the structural relaxation time of the liquid.

  17. Valve stem packing seal test results for primary heat transport system conditions in Canadian nuclear generating stations

    International Nuclear Information System (INIS)

    Dixon, D.F.; Farrell, J.M.; Coutinho, R.F.

    1978-06-01

    Valve stem packing tests were done to obtain performance data on packing already in CANDU-PHW reactor service and on alternative packings. Most of the tests were replicated. Results are presented for ten packings tested under two stem cycle modes; leakage, packing consolidation and packing friction were the main responses. Packing tests were performed with water at close to CANDU-PHW reactor primary heat transport (PHT) system conditions (288 deg C and 10 MPa), but without ionizing radiation. The test rigs had rising, rotating stems. Stuffing box dimensions were typical of a standard Velan valve; packings were spring loaded to control applied packing stress

  18. Startup and long-term performance of biotrickling filters packed with polyurethane foam and poplar wood chips treating a mixture of ethylmercaptan, H2S, and NH3.

    Science.gov (United States)

    Hernández, J; Lafuente, J; Prado, O J; Gabriel, D

    2013-04-01

    Treatment of a mixture of NH3, H2S, and ethylmercaptan (EM) was investigated for more than 15 months in two biotrickling filters packed with poplar wood chips and polyurethane foam. Inlet loads ranging from 5 to 10 g N-NH3 m-3 hr-1, from 5 to 16 g S-H2S m-3 hr-1, and from 0 to 5 g EM m-3 hr-1 were applied. During startup, the biotrickling filter packed with polyurethane foam was re-inoculated due to reduced biomass retention as well as a stronger effect of nitrogen compounds inhibition compared with the biotrickling filter packed with poplar wood. Accurate pH control between 7 and 7.5 favored pollutants abatement. In the long run, complete NH3 removal in the gas phase was achieved in both reactors, while H2S removal efficiencies exceeded 90%. EM abatement was significantly different in both reactors. A systematically lower elimination capacity was found in the polyurethane foam bioreactor. N fractions in the liquid phase proved that high nitrification rates were reached throughout steady-state operation in both bioreactors. CO2 production showed the extent of the organic packing material degradation, which allowed estimating its service lifetime in around 2 years. In the long run, the bioreactor packed with the organic packing material had a lower stability. However, an economic analysis indicated that poplar wood chips are a competitive alternative to inorganic packing materials in biotrickling filters. We provide new insights in the use of organic packing materials in biotrickling filters for the treatment of H2S, NH3, and mercaptans and compare them with polyurethane foam, a packing commonly used in biotrickling filters. We found interesting features related with the startup of the reactors and parameterized both the performance under steady-state conditions and the influence of the gas contact time. We provide relevant conclusions in the profitability of organic packing materials under a biotrickling filter configuration, which is infrequent but proven reliable

  19. Pressure cryocooling protein crystals

    Science.gov (United States)

    Kim, Chae Un [Ithaca, NY; Gruner, Sol M [Ithaca, NY

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  20. Online feature selection with streaming features.

    Science.gov (United States)

    Wu, Xindong; Yu, Kui; Ding, Wei; Wang, Hao; Zhu, Xingquan

    2013-05-01

    We propose a new online feature selection framework for applications with streaming features where the knowledge of the full feature space is unknown in advance. We define streaming features as features that flow in one by one over time whereas the number of training examples remains fixed. This is in contrast with traditional online learning methods that only deal with sequentially added observations, with little attention being paid to streaming features. The critical challenges for Online Streaming Feature Selection (OSFS) include 1) the continuous growth of feature volumes over time, 2) a large feature space, possibly of unknown or infinite size, and 3) the unavailability of the entire feature set before learning starts. In the paper, we present a novel Online Streaming Feature Selection method to select strongly relevant and nonredundant features on the fly. An efficient Fast-OSFS algorithm is proposed to improve feature selection performance. The proposed algorithms are evaluated extensively on high-dimensional datasets and also with a real-world case study on impact crater detection. Experimental results demonstrate that the algorithms achieve better compactness and higher prediction accuracy than existing streaming feature selection algorithms.

  1. cellPACK: a virtual mesoscope to model and visualize structural systems biology.

    Science.gov (United States)

    Johnson, Graham T; Autin, Ludovic; Al-Alusi, Mostafa; Goodsell, David S; Sanner, Michel F; Olson, Arthur J

    2015-01-01

    cellPACK assembles computational models of the biological mesoscale, an intermediate scale (10-100 nm) between molecular and cellular biology scales. cellPACK's modular architecture unites existing and novel packing algorithms to generate, visualize and analyze comprehensive three-dimensional models of complex biological environments that integrate data from multiple experimental systems biology and structural biology sources. cellPACK is available as open-source code, with tools for validation of models and with 'recipes' and models for five biological systems: blood plasma, cytoplasm, synaptic vesicles, HIV and a mycoplasma cell. We have applied cellPACK to model distributions of HIV envelope protein to test several hypotheses for consistency with experimental observations. Biologists, educators and outreach specialists can interact with cellPACK models, develop new recipes and perform packing experiments through scripting and graphical user interfaces at http://cellPACK.org/.

  2. Bistetracene Thin Film Polymorphic Control to Unravel the Effect of Molecular Packing on Charge Transport

    KAUST Repository

    Burnett, Edmund K.

    2018-02-26

    Polymorphism, the ability for a given material to adopt multiple crystalline packing states, is a powerful approach for investigating how changes in molecular packing influence charge transport within organic semiconductors. In this study, a new

  3. Bistetracene Thin Film Polymorphic Control to Unravel the Effect of Molecular Packing on Charge Transport

    KAUST Repository

    Burnett, Edmund K.; Ly, Jack; Niazi, Muhammad Rizwan; Zhang, Lei; McCuskey, Samantha R.; Amassian, Aram; Smilgies, Detlef-M.; Mannsfeld, Stefan C. B.; Briseno, Alejandro L.

    2018-01-01

    Polymorphism, the ability for a given material to adopt multiple crystalline packing states, is a powerful approach for investigating how changes in molecular packing influence charge transport within organic semiconductors. In this study, a new

  4. Quasi-human seniority-order algorithm for unequal circles packing

    International Nuclear Information System (INIS)

    Zhu, Dingju

    2016-01-01

    In the existing methods for solving unequal circles packing problems, the initial configuration is given arbitrarily or randomly, but the impact of different initial configurations for existing packing algorithm to the speed of existing packing algorithm solving unequal circles packing problems is very large. The quasi-human seniority-order algorithm proposed in this paper can generate a better initial configuration for existing packing algorithm to accelerate the speed of existing packing algorithm solving unequal circles packing problems. In experiments, the quasi-human seniority-order algorithm is applied to generate better initial configurations for quasi-physical elasticity methods to solve the unequal circles packing problems, and the experimental results show that the proposed quasi-human seniority-order algorithm can greatly improve the speed of solving the problem.

  5. Identifying significant environmental features using feature recognition.

    Science.gov (United States)

    2015-10-01

    The Department of Environmental Analysis at the Kentucky Transportation Cabinet has expressed an interest in feature-recognition capability because it may help analysts identify environmentally sensitive features in the landscape, : including those r...

  6. Numerical Simulation on Dense Packing of Granular Materials by Container Oscillation

    OpenAIRE

    Jun Liu; Dongxu You

    2013-01-01

    The packing of granular materials is a basic and important problem in geomechanics. An approach, which generates dense packing of spheres confined in cylindrical and cuboidal containers in three steps, is introduced in this work. A loose packing structure is first generated by means of a reference lattice method. Then a dense packing structure is obtained in a container by simulating dropping of particles under gravitational forces. Furthermore, a scheme that makes the bottom boundary fluctua...

  7. Flow dynamics in distillation columns packed with Dixon rings as used in isotope separation

    International Nuclear Information System (INIS)

    Gilath, C.; Cohen, H.; Wolf, D.

    1977-01-01

    Packed distillation columns are common in isotope separation. The pressure drop serves as an indication for the hydrodynamic state of the column. Models were formulated for flow and pressure drop dynamics in packed distillation columns. These models were confirmed on columns packed with Dixon rings and operated with water for separation of oxygen isotopes. Liquid holdup displacement is very important in isotope separation practice. Experiments proved that distillation columns packed with Dixon rings exhibit a behaviour close to plug flow. (author)

  8. Technical tutorial: How to pack a nose with bismuth iodoform paraffin paste gauze safely and effectively.

    Science.gov (United States)

    Amen, F; Pace-Balzan, A

    2009-01-01

    The current primary treatment for epistaxis in accident and emergency departments is the insertion of Merocel packs. If these are properly inserted, but fail to control bleeding, it is necessary to insert a bismuth iodoform paraffin paste (BIPP) pack. A BIPP pack, when properly inserted, has the potential to stop most bleeds, but books and journals suggest a method of insertion that limits its effectiveness. A safer and more effective way of packing a nose with BIPP than the traditional method is described.

  9. Bis(N,N-diethyldithiocarbamato-κ2S,S′(3-hydroxypyridine-κNzinc and bis[N-(2-hydroxyethyl-N-methyldithiocarbamato-κ2S,S′](3-hydroxypyridine-κNzinc: crystal structures and Hirshfeld surface analysis

    Directory of Open Access Journals (Sweden)

    Mukesh M. Jotani

    2016-12-01

    Full Text Available The common feature of the molecular structures of the title compounds, [Zn(C5H10NS22(C5H5NO], (I, and [Zn(C4H8NOS22(C5H5NO], (II, are NS4 donor sets derived from N-bound hydroxypyridyl ligands and asymmetrically chelating dithiocarbamate ligands. The resulting coordination geometries are highly distorted, being intermediate between square pyramidal and trigonal bipyramidal for both independent molecules comprising the asymmetric unit of (I, and significantly closer towards square pyramidal in (II. The key feature of the molecular packing in (I is the formation of centrosymmetric, dimeric aggregates sustained by pairs of hydroxy-O—H...S(dithiocarbamate hydrogen bonds. The aggregates are connected into a three-dimensional architecture by methylene-C—H...O(hydroxy and methyl-C—H...π(chelate interactions. With greater hydrogen-bonding potential, supramolecular chains along the c axis are formed in the crystal of (II, sustained by hydroxy-O—H...O(hydroxy hydrogen bonds, with ethylhydroxy and pyridylhydroxy groups as the donors, along with ethylhydroxy-O—H...S(dithiocarbamate hydrogen bonds. Chains are connected into layers in the ac plane by methylene-C—H...π(chelate interactions and these stack along the b axis, with no directional interactions between them. An analysis of the Hirshfeld surfaces clearly distinguished the independent molecules of (I and reveals the importance of the C—H...π(chelate interactions in the packing of both (I and (II.

  10. Natural and anthropogenic hydrocarbons in the Antarctic pack ice

    International Nuclear Information System (INIS)

    Nemirovskaya, I.A.; Novigatsky, A.N.

    2004-01-01

    A field experiment was conducted near the Russian Antarctic stations in May, 2001 in the Pridz Bay and coastal part of the Davies Sea to examine the content of dissolved and suspended forms of aliphatic hydrocarbons in melted snow samples, pack ice and ice cores. The site included clean control areas and polluted test areas. A spill was performed by covering the bare ice surface with marine diesel fuel. The different physical characteristics of clean and polluted ice were measured. This included radiation balance, reflected solar radiation, integral albedo radiation, surface temperature, seawater temperature, salinity at depth, and ice salinity. The study showed that accumulation of natural and anthropogenic hydrocarbon took place in the ice-water barrier zone, mostly in suspended form. It was concluded that for oil spills in pack Antarctic ice, the mechanism of filtration due to convection-diffusion plays an important role in the transformation of diesel fuel. 14 refs., 2 tabs., 2 figs

  11. Evaluation of pulp and mortar to pack bitumen radioactive waste

    International Nuclear Information System (INIS)

    Gregorio, Marina da S.; Vieira, Vanessa M.; Tello, Cledola C.O.

    2013-01-01

    According to international experience, for the deposition of cement in surface repository, is necessary the use of cement mortar pastes to immobilize the product. Determining the most efficient folder or for the packed mortar, as well as its ideal formulation, is the goal of this study. To do various experiments with samples of cement paste and mortar, with presence of fluxing and / or clay were performed. Viscosity, density, setting time and compressive strength were evaluated. This study will be presented only the results found in testing of compressive strength to be an essential parameter in the transport, storage and disposal of the product. From the results found will be selected the best formulations for use in packed bitumen tailings from the National Radioactive Waste Repository

  12. Chromium Enrichment on P11 Ferritic Steel by Pack Cementation

    Directory of Open Access Journals (Sweden)

    Fauzi F. A.

    2016-01-01

    Full Text Available The future thermal power plant is expected to operate at higher temperature to improve its efficiency and to reduce greenhouse gas emission. This target requires better corrosion properties of ferritic steels, which commonly used as materials for superheater and reheater of boiler tubes. In this work, chromium enrichment on the surface of ferritic steel is studied. The deposited chromium is expected to become a reservoir for the formation of chromia protective layer. Chromium was deposited on the substrate of steel by pack cementation process for two hours at the temperature of 850ºC, 950ºC and 1050ºC, respectively. XRD analysis indicated that chromium was successfully deposited at all temperatures. Somehow, SEM cross sectional image showed that continuous layer of chromium was not continuously formed at 850oC. Therefore, this research clarify that chromium enrichment by pack cementation may be conducted at the temperature above 950°C.

  13. Spontaneous formation of densely packed shear bands of rotating fragments.

    Science.gov (United States)

    Åström, J A; Timonen, J

    2012-05-01

    Appearance of self-similar space-filling ball bearings has been suggested to provide the explanation for seismic gaps, shear weakness, and lack of detectable frictional heat formation in mature tectonic faults (shear zones). As the material in a shear zone fractures and grinds, it could be thought to eventually form a conformation that allows fragments to largely roll against each other without much sliding. This type of space-filling "ball bearing" can be constructed artificially, but so far how such delicate structures may appear spontaneously has remained unexplained. It is demonstrated here that first-principles simulations of granular packing with fragmenting grains indeed display spontaneous formation of shear bands with fragment conformations very similar to those of densely packed ball bearings.

  14. Packing states of multilamellar vesicles in a nonionic surfactant system

    DEFF Research Database (Denmark)

    Le, T.D.; Olsson, U.; Mortensen, K.

    2001-01-01

    -alpha(*) phase using the noninvasive small-angle neutron scattering (SANS) technique, one while heating and the other while cooling the sample. Data from the heating and cooling cycles were used to demonstrate reversibility of the system. Three states of packing can be identified from the scattering profiles......Lyotropic lamellar phases under shear flow have been shown to form multilamellar vesicles (MLVs), an onion-like structure. The size of the vesicles is governed by the shear imposed on the sample. Previously, we studied the structural transformation from multilamellar vesicles to lamellae to sponge...... under shear. Here, we focused only in the MLV region, L-alpha(*), of a temperature sensitive surfactant system (C12E4-water) to investigate the packing of multilamellar vesicles as a function of temperature under constant shear. Two sets of temperature scan experiments were performed in the L...

  15. Integrating packing and distribution problems and optimization through mathematical programming

    Directory of Open Access Journals (Sweden)

    Fabio Miguel

    2016-06-01

    Full Text Available This paper analyzes the integration of two combinatorial problems that frequently arise in production and distribution systems. One is the Bin Packing Problem (BPP problem, which involves finding an ordering of some objects of different volumes to be packed into the minimal number of containers of the same or different size. An optimal solution to this NP-Hard problem can be approximated by means of meta-heuristic methods. On the other hand, we consider the Capacitated Vehicle Routing Problem with Time Windows (CVRPTW, which is a variant of the Travelling Salesman Problem (again a NP-Hard problem with extra constraints. Here we model those two problems in a single framework and use an evolutionary meta-heuristics to solve them jointly. Furthermore, we use data from a real world company as a test-bed for the method introduced here.

  16. PERFORMANCE OF A PACKED LIQUID-LIQUID EXTRACTION COLUMN

    Directory of Open Access Journals (Sweden)

    İ. Metin HASDEMİR

    1999-03-01

    Full Text Available The influence of feed ratios ((LE/LR on the performance of a packed liquid-liquid extraction column, with a diameter of 5.86 cm and a column height of 132 cm was investigated. The column is made of borosilicate glass and packed with 10 x 10 mm glass Raschig rings. In this study, a ternary system composed of water + propionic acid + trichloroethylene was used. The data used to triangular diagram were obtained experimentally. The overall mass transfer coefficients, the numbers of overall mass transfer units, the heights of mass transfer units, the numbers of theoretical stages and height equivalent to a theoretical stage (H. E. T. S. values were calculated and compared with each other.

  17. Design and Production of Damage-Resistant Tray Pack Containers

    Science.gov (United States)

    1985-07-01

    No COMMENT ,34.5 ýX .7.. . , . 35.0 x 36.0 x " 36.5 x • - . ,- 37.0 x 37.5 X 22 Ma after failure .4 J L,. Local Red stain...VACUUM-TRAY PACK SAMPLE 90#-BASELINE !4 TEST LEVEL PANEL VACUUM YES NO COMMENT 𔃾 I S2"X - 3" X 4ŕ x 4.5" X 27 Ma with Red spot @ S1 - wrinkle. * i...44 i 63 DATE 8-29-84 * SAMPLE # 3 TEST TYPE VACUUM-TRAY PACK SAMPLE 90#/0.050" REINFORCED TEST LEVEL PAN] VACUUM YES NO COMMENT i ", 2" X 2 1 V - I

  18. Packing Different Cuboids with Rotations and Spheres into a Cuboid

    Directory of Open Access Journals (Sweden)

    Y. G. Stoyan

    2014-01-01

    Full Text Available The paper considers a packing optimization problem of different spheres and cuboids into a cuboid of the minimal height. Translations and continuous rotations of cuboids are allowed. In the paper, we offer a way of construction of special functions (Φ-functions describing how rotations can be dealt with. These functions permit us to construct the mathematical model of the problem as a classical mathematical programming problem. Basic characteristics of the mathematical model are investigated. When solving the problem, the characteristics allow us to apply a number of original and state-of-the-art efficient methods of local and global optimization. Numerical examples of packing from 20 to 300 geometric objects are given.

  19. Operation of Packed-Bed Reactors Studied in Microgravity

    Science.gov (United States)

    Motil, Brian J.; Balakotaiah, Vemuri

    2004-01-01

    The operation of a packed bed reactor (PBR) involves gas and liquid flowing simultaneously through a fixed-bed of solid particles. Depending on the application, the particles can be various shapes and sizes but are generally designed to force the two fluid phases through a tortuous route of narrow channels connecting the interstitial space. The PBR is the most common type of reactor in industry because it provides for intimate contact and high rates of transport between the phases needed to sustain chemical or biological reactions. The packing may also serve as either a catalyst or as a support for growing biological material. Furthermore, this type of reactor is relatively compact and requires minimal power to operate. This makes it an excellent candidate for unit operations in support of long-duration human space activities.

  20. TIBER-II TF [toroidal-field] winding pack design

    International Nuclear Information System (INIS)

    Kerns, J.A.; Miller, J.R.; Slack, D.S.; Summers, L.T.

    1987-01-01

    The superconducting, toroidal-field (TF) coils in the Tokamak Ignition/Burn Engineering Reactor (TIBER II) are designed with cable-in-conduit conductor (CICC) using Nb 3 Sn composite strands. To design the CICC winding pack, we used an optimization technique that maximizes the conductor stability without violating the constraints imposed by the structure, electrical insulation, quench protection, and fabrication technique. Detailed helium-properties codes calculate the heat removal along a flow path, and detailed field calculations determine the temperature, current, and stability margins. The conductor sheath is designed as distributed structure to partially support the combined in-plane and out-of-plane loads generated within the winding pack. Pancakes of the coil are wound, reacted, and insulated before being potted in the case. This design is aggressive but fully consistent with good engineering practice. 5 refs., 4 figs., 2 tabs

  1. Simulation of turbulent flow in a packed bed

    Energy Technology Data Exchange (ETDEWEB)

    Guo, B.; Yu, A. [Centre for Simulation and Modelling of Particulate Systems and School of Material Science and Engineering, The University of New South Wales, Sydney 2052 (Australia); Wright, B.; Zulli, P. [BlueScope Steel Research Laboratories, P.O. Box 202, Port Kembla, NSW 2505 (Australia)

    2006-05-15

    Numerous models for simulating the flow and transport in packed beds have been proposed in the literature with few reported applications. In this paper, several turbulence models for porous media are applied to the gas flow through a randomly packed bed and are examined by means of a parametric study against some published experimental data. These models predict widely different turbulent eddy viscosity. The analysis also indicates that deficiencies exist in the formulation of some model equations and selection of a suitable turbulence model is important. With this realization, residence time distribution and velocity distribution are then simulated by considering a radial profile of porosity and turbulence induced dispersion, and the results are in good agreement with the available experimental data. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  2. NanoPack: visualizing and processing long read sequencing data.

    Science.gov (United States)

    De Coster, Wouter; D'Hert, Svenn; Schultz, Darrin T; Cruts, Marc; Van Broeckhoven, Christine

    2018-03-14

    Here we describe NanoPack, a set of tools developed for visualization and processing of long read sequencing data from Oxford Nanopore Technologies and Pacific Biosciences. The NanoPack tools are written in Python3 and released under the GNU GPL3.0 License. The source code can be found at https://github.com/wdecoster/nanopack, together with links to separate scripts and their documentation. The scripts are compatible with Linux, Mac OS and the MS Windows 10 subsystem for Linux and are available as a graphical user interface, a web service at http://nanoplot.bioinf.be and command line tools. wouter.decoster@molgen.vib-ua.be. Supplementary tables and figures are available at Bioinformatics online.

  3. Accumulation of BSA in Packed-bed Microfluidics

    Science.gov (United States)

    Summers, Samantha; Hu, Chuntian; Hartman, Ryan

    2012-11-01

    Alzheimers and Parkinsons are two diseases that are associated with protein deposition in the brain, causing loss of either cognitive or muscle functioning. Protein deposition diseases are considered progressive diseases since the continual aggregation of protein causes the patient's symptoms to slowly worsen over time. There are currently no known means of treatment for protein deposition diseases. Our goal is to understand the potential for packed-bed microfluidics to study protein accumulation. Measurement of the resistance to flow through micro-scale packed-beds is critical to understanding the process of protein accumulation. Aggregation in bulk is fundamentally different from accumulation on surfaces. Our study attempts to distinguish between either mechanism. The results from our experiments involving protein injection through a microfluidic system will be presented and discussed. Funding received by NSF REU Grant 1062611.

  4. Udder health in a Danish compost bedded pack barn

    OpenAIRE

    Svennesen, Line; Enevoldsen, Carsten; Bjerg, Bjarne Schmidt; Klaas, Ilka Christine

    2014-01-01

    Besides welfare advantages of the compost bedded pack system (CBP) there could be a negative effect of the organic bedding on udder health. Our objectives were to evaluate the effects of a CBP on udder health compared to a free stall system (FS) with sand bedded cubicles. Within the same Danish organic farm, 330 multiparous cows were randomly allocated to CBP or FS. During the experimental period (EP), December 2012 to May 2013, proportions of cows with blinded teats were registered monthly a...

  5. Pediatric body packing: drug smuggling reaches a new low.

    Science.gov (United States)

    Beno, Suzanne; Calello, Diane; Baluffi, Andrew; Henretig, Fred M

    2005-11-01

    The case of a 6-year-old boy presenting with severe clinical manifestations of an opioid intoxication and who is discovered to be an international "body packer" is presented and discussed. This article is the first to report on the phenomenon of body packing in young children. It also highlights the use of prescription opioids as cargo, which has not previously been addressed in the literature.

  6. Application of cone packing model in extraction: Pt.1

    International Nuclear Information System (INIS)

    Li Xingfu; Tang Bolin; Sun Pengnian

    1987-01-01

    Synergistic effect in trinary system: substrate 1 + substrate 2 + extractant, is reported with the extraction for uranyl ion in mixed acetate and chloride substrates by applying cone packing model. Based on the cone packing model, ligand packing around the uranyl equatorial plane should be neither overcrowded nor undercrowded. The sum of ligand's Fan Angle (FA) around the uranyl equatorial plane provides a useful criterion for estimating steric crowding. Whereas FAS of UO 2 (OAc) 2 (TBP) 2 , UO 2 (OAc) 2 TBP, UO 2 Cl 2 (TBP) 2 and UO 2 Cl 2 (TBP) 3 are 204, 164, 164 and 203 deg respectively, none is favourable to form stable extracted complexes. FAS of UO 2 (OAc)Cl(TBP) 2 is l84 deg indicating the most favorable packing. Therefore synergistic effect based on the formation of extracted complex UO 2 (OAc)Cl(TBP) 2 in mixed acetate and chloride solution was predicted. The above speculation was confirmed by extraction of uranyl ion in the substrates of sodium acetate-acetic acid and ammonium chloride. Keeping the total concentration of substrates constant, synergistic extraction is found at l:3 acetate to chloride ratio which shifts a little on changing concentration of the uranyl ion from 3.97 x 10 -4 mol·dm -3 to 2.06 x 10 -2 mol·dm -3 . The extracted complex was proved to be mostly UO 2 (OAc)Cl(TBP) 2 by using the slope method and analysing the uranyl and chloride concentration in organic phase. Variation of the distribution coefficient of synergistic effect with the pH of the medium was studied. The similiar effect was found with other oxtractants and diluents

  7. Film packed lithium-ion battery with polymer stabilizer

    Energy Technology Data Exchange (ETDEWEB)

    Satoh, Masaharu; Nakahara, Kentaro [NEC Corp., Environment and Material Research Labs., Kawasaki, Kanagawa (Japan)

    2004-11-30

    The 1600 mAh class of film packed lithium-ion battery has been fabricated with the polymer stabilizer. The adhesive polymer covered with fluorinated polymer beads enables to penetrate into the prismatically wound jerry-roll layers and connects the electrode layers and separator film. The battery demonstrates the improved properties after repeating the charge and discharge processes and should be useful for the various electronic equipment such as notebook type computers. (Author)

  8. Film packed lithium-ion battery with polymer stabilizer

    International Nuclear Information System (INIS)

    Satoh, Masaharu; Nakahara, Kentaro

    2004-01-01

    The 1600 mAh class of film packed lithium-ion battery has been fabricated with the polymer stabilizer. The adhesive polymer covered with fluorinated polymer beads enables to penetrate into the prismatically wounded jerry-roll layers and connects the electrode layers and separator film. The battery demonstrates the improved properties after repeating the charge and discharge processes and should be useful for the various electronics equipment such as notebook type computer

  9. AUV Commercialization - Who’s Leading the Pack?

    Science.gov (United States)

    2000-09-01

    the Theseus and ARCS, is designing a deep water commercial site survey AUV for Fugro GeoServices Inc. Called the Explorer, the vehicle will conduct...ISE has the ARCS and the Theseus vehicles and Perry Technologies has the MUST. These vehicles have each performed some dramatic operations including the...deployment of fiber optic cables. In the case of Theseus , the fiber optic cable was deployed under the ice pack. Mid-size vehicles include those from

  10. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    Energy Technology Data Exchange (ETDEWEB)

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  11. Crystallization In Multicomponent Glasses

    International Nuclear Information System (INIS)

    Kruger, A.A.; Hrma, P.R.

    2009-01-01

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  12. The pack size effect: Influence on consumer perceptions of portion sizes

    NARCIS (Netherlands)

    Hieke, Sophie; Palascha, Aikaterini; Jola, Corinne; Wills, Josephine; Raats, Monique M.

    2016-01-01

    Larger portions as well as larger packs can lead to larger prospective consumption estimates, larger servings and increased consumption, described as 'portion-size effects' and 'pack size effects'. Although related, the effects of pack sizes on portion estimates have received less attention. While

  13. 21 CFR 133.125 - Cold-pack cheese food with fruits, vegetables, or meats.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 2 2010-04-01 2010-04-01 false Cold-pack cheese food with fruits, vegetables, or..., vegetables, or meats. (a) Cold-pack cheese food with fruits, vegetables, or meats or mixtures of these is the... cheese food with fruits, vegetables or meats is “Cold-pack cheese food with ___”, the blank being filled...

  14. 7 CFR 906.340 - Container, pack, and container marking regulations.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Container, pack, and container marking regulations... AGRICULTURE ORANGES AND GRAPEFRUIT GROWN IN LOWER RIO GRANDE VALLEY IN TEXAS Container and Pack Requirements § 906.340 Container, pack, and container marking regulations. (a) No handler shall handle any variety of...

  15. Electrical Capacitance Volume Tomography for the Packed Bed Reactor ISS Flight Experiment

    Science.gov (United States)

    Marashdeh, Qussai; Motil, Brian; Wang, Aining; Liang-Shih, Fan

    2013-01-01

    Fixed packed bed reactors are compact, require minimum power and maintenance to operate, and are highly reliable. These features make this technology a highly desirable unit operation for long duration life support systems in space. NASA is developing an ISS experiment to address this technology with particular focus on water reclamation and air revitalization. Earlier research and development efforts funded by NASA have resulted in two hydrodynamic models which require validation with appropriate instrumentation in an extended microgravity environment. To validate these models, the instantaneous distribution of the gas and liquid phases must be measured.Electrical Capacitance Volume Tomography (ECVT) is a non-invasive imaging technology recently developed for multi-phase flow applications. It is based on distributing flexible capacitance plates on the peripheral of a flow column and collecting real-time measurements of inter-electrode capacitances. Capacitance measurements here are directly related to dielectric constant distribution, a physical property that is also related to material distribution in the imaging domain. Reconstruction algorithms are employed to map volume images of dielectric distribution in the imaging domain, which is in turn related to phase distribution. ECVT is suitable for imaging interacting materials of different dielectric constants, typical in multi-phase flow systems. ECVT is being used extensively for measuring flow variables in various gas-liquid and gas-solid flow systems. Recent application of ECVT include flows in risers and exit regions of circulating fluidized beds, gas-liquid and gas-solid bubble columns, trickle beds, and slurry bubble columns. ECVT is also used to validate flow models and CFD simulations. The technology is uniquely qualified for imaging phase concentrations in packed bed reactors for the ISS flight experiments as it exhibits favorable features of compact size, low profile sensors, high imaging speed, and

  16. Polymer ultrapermeability from the inefficient packing of 2D chains

    Science.gov (United States)

    Rose, Ian; Bezzu, C. Grazia; Carta, Mariolino; Comesaña-Gándara, Bibiana; Lasseuguette, Elsa; Ferrari, M. Chiara; Bernardo, Paola; Clarizia, Gabriele; Fuoco, Alessio; Jansen, Johannes C.; Hart, Kyle E.; Liyana-Arachchi, Thilanga P.; Colina, Coray M.; McKeown, Neil B.

    2017-09-01

    The promise of ultrapermeable polymers, such as poly(trimethylsilylpropyne) (PTMSP), for reducing the size and increasing the efficiency of membranes for gas separations remains unfulfilled due to their poor selectivity. We report an ultrapermeable polymer of intrinsic microporosity (PIM-TMN-Trip) that is substantially more selective than PTMSP. From molecular simulations and experimental measurement we find that the inefficient packing of the two-dimensional (2D) chains of PIM-TMN-Trip generates a high concentration of both small (Gas permeability data for PIM-TMN-Trip surpass the 2008 Robeson upper bounds for O2/N2, H2/N2, CO2/N2, H2/CH4 and CO2/CH4, with the potential for biogas purification and carbon capture demonstrated for relevant gas mixtures. Comparisons between PIM-TMN-Trip and structurally similar polymers with three-dimensional (3D) contorted chains confirm that its additional intrinsic microporosity is generated from the awkward packing of its 2D polymer chains in a 3D amorphous solid. This strategy of shape-directed packing of chains of microporous polymers may be applied to other rigid polymers for gas separations.

  17. Evolution of completion tools gravel pack systems for deep water

    Energy Technology Data Exchange (ETDEWEB)

    Pineda, Francisco [BJ Services Company, Houston, TX (United States); Vilela, Alvaro; Montanha, Roberto; Hightower, Chad; Acosta, Marco; Farias, Rodrigo [BJ Services do Brasil Ltda., Rio de Janeiro, RJ (Brazil)

    2004-07-01

    Conventional gravel pack or frac pack completions typically require the use of wash pipe to act as a conduit for fluid returns as well as to carry a shifting mechanism to open or close a return port. Using properly sized wash pipe can enhance the placement of the gravel across the entire annular space and the formation. It can also be used in conjunction with a shifting mechanism and a sliding sleeve to force the fluid returns to pass through the bottom of the screen. It can allow a wash-down capability while running the assembly into an open hole. In specialty systems, it can even act as a pumping conduit for post-gravel pack stimulation. However, the use of wash pipe, especially in long horizontal wells, means the loss of valuable rig time due to make up and break out of the wash pipe, or recovery if the wash pipe is stuck. Economic considerations, along with completion efficiencies, are especially important on deep water completions. Not using wash pipe reduces rig time, generating significant cost savings, and also eliminates the risk of a fishing operation. This paper reviews conventional wash pipe applications and describes new systems that accomplish the same goal with a minimum amount of wash pipe or no wash pipe at all. (author)

  18. Efficacy of fresh packed red blood transfusion in organophosphate poisoning.

    Science.gov (United States)

    Bao, Hang-Xing; Tong, Pei-Jian; Li, Cai-Xia; Du, Jing; Chen, Bing-Yu; Huang, Zhi-Hui; Wang, Ying

    2017-03-01

    The mortality rate caused by organophosphate (OP) poisoning is still high, even the standard treatment such as atropine and oxime improves a lot. To search for alternative therapies, this study was aimed to investigate the effects of packed red blood cell (RBC) transfusion in acute OP poisoning, and compare the therapeutic effects of RBCs at different storage times.Patients diagnosed with OP poisoning were included in this prospective study. Fresh RBCs (packed RBCs stored less than 10 days) and longer-storage RBCs (stored more than 10 days but less than 35 days) were randomly transfused or not into OP poisoning patients. Cholinesterase (ChE) levels in blood, atropine usage and durations, pralidoxime durations were measured.We found that both fresh and longer-storage RBCs (200-400 mL) significantly increased blood ChE levels 6 hours after transfusion, shortened the duration for ChE recovery and length of hospital stay, and reduced the usage of atropine and pralidoxime. In addition, fresh RBCs demonstrated stronger therapeutic effects than longer-storage RBCs.Packed RBCs might be an alternative approach in patients with OP poisoning, especially during early stages.

  19. Implementation of Bin Packing Model for Reed Switch Production Planning

    Energy Technology Data Exchange (ETDEWEB)

    Parra, Rainier Romero [Polytechnic University of Baja California, Calle de la Claridad S/N, Col Plutarco Elias Calles, Mexicali, B. C., 21376 (Mexico); Burtseva, Larysa [Engineering Institute, Autonomous University of Baja California, Calle de la Normal S/N, Col. Insurgentes Este, Mexicali, BC, 21280 (Mexico)

    2010-06-17

    This paper presents a form to resolve a real problem of efficient material election in reed switch manufacturing. The carrying out of the consumer demands depends on the stochastic results of the classification process where each lot of switches is distributed into bins according to an electric measure value. Various glass types are employed for the switch manufacturing. The effect caused by the glass type variation on the switch classification results was investigated. Based on real data statistic analysis, the problem is reduced to the lot number minimizing taking into consideration the glass type, and interpreted as a bin packing problem generalization. On difference to the classic bin packing problem, in the considered case, an item represents a set of pieces; a container is divided into a number of bins (sub-containers); the bin capacity is variable; there are the assignment restrictions between bins and sets of pieces; the items are allowed to be fragmented into bins and containers. The problem has a high complexity. A heuristic offline algorithm is proposed to find the quantity, types and packing sequence of containers, the item fragments associated with containers and bins. The bin capacities do not affect the algorithm.

  20. Insect disinfestation of packed dates by gamma-radiation

    International Nuclear Information System (INIS)

    Ahmed, M.S.H.; Hameed, A.A.; Kadhum, A.A.; Ali, S.R.

    1985-01-01

    The effect of gamma-radiation on insect disinfestation of commercially packed dry dates was studied in collaboration with the Iraqui Date Administration. The wrapping of ''window carton lunch boxes'' (each holding 250 g of dry dates, Zahdi variety) with polyethylene film, compared to cellophane, prevented reinfestation for a long period of storage if treated with 0.70 kGy of gamma-radiation. All live insects that were found in the irradiated boxes and tested were genetically sterile, and those in different developmental stages died within a short period of time without passing through metamorphosis. In all cases (treated or control batches), cellophane-sealed boxes proved to be more vulnerable to reinfestation. Dates packed in plastic cups, used for N/sub 2/ vacuum packaging, were also effectively disinfested by the same dose of radiation. The value of airtight packaging will certainly add to the advantage of the high penetration power of gamma-radiation relative to methyl bromide fumigation. Results of the assessment of the damaging ability of irradiated insects indicate that treatment of packed dates with 0.70 kGy is sufficient as far as quarantine measures are concerned where the possible increase in infestation rate, brought about by radio-resistant insect stages that usually constitute a small fraction in nature, is negligible