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Sample records for crystal packing shows

  1. Ultratight crystal packing of a 10 kDa protein

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    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.

  2. 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.

  3. 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.

  4. 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

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

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    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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. Chiral crystal of a C2v-symmetric 1,3-diazaaulene derivative showing efficient optical second harmonic generation

    KAUST Repository

    Ma, Xiaohua

    2011-03-01

    Achiral nonlinear optical (NLO) chromophores 1,3-diazaazulene derivatives, 2-(4â€-aminophenyl)-6-nitro-1,3-diazaazulene (APNA) and 2-(4â€-N,N-diphenylaminophenyl)-6-nitro-1,3-diazaazulene (DPAPNA), were synthesized with high yield. Despite the moderate static first hyperpolarizabilities (β0) for both APNA [(136 ± 5) à - 10-30 esu] and DPAPNA [(263 ± 20) à - 10-30 esu], only APNA crystal shows a powder efficiency of second harmonic generation (SHG) of 23 times that of urea. It is shown that the APNA crystallization driven cooperatively by the strong H-bonding network and the dipolar electrostatic interactions falls into the noncentrosymmetric P2 12121 space group, and that the helical supramolecular assembly is solely responsible for the efficient SHG response. To the contrary, the DPAPNA crystal with centrosymmetric P-1 space group is packed with antiparalleling dimmers, and is therefore completely SHG-inactive. 1,3-Diazaazulene derivatives are suggested to be potent building blocks for SHG-active chiral crystals, which are advantageous in high thermal stability, excellent near-infrared transparency and high degree of designing flexibility. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011 Optical crystals based on 1,3-diazaazulene derivatives are reported as the first example of organic nonlinear optical crystal whose second harmonic generation activity is found to originate solely from the chirality of their helical supramolecular orientation. The strong H-bond network forming between adjacent choromophores is found to act cooperatively with dipolar electrostatic interactions in driving the chiral crystallization of this material. Copyright © 2011 Wiley Periodicals, Inc.

  1. 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

  2. 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.

  3. 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)

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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

  9. 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

  10. 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)

  11. 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).

  12. 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.

  13. 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.

  14. Ultrasonography shows disappearance of monosodium urate crystal deposition on hyaline cartilage after sustained normouricemia is achieved.

    Science.gov (United States)

    Thiele, Ralf G; Schlesinger, Naomi

    2010-02-01

    This study aimed at determining whether lowering serum urate (SU) to less than 6 mg/dl in patients with gout affects ultrasonographic findings. Seven joints in five patients with monosodium urate (MSU) crystal proven gout and hyperuricemia were examined over time with serial ultrasonography. Four of the five patients were treated with urate lowering drugs (ULDs) (allopurinol, n = 3; probenecid, n = 1). One patient was treated with colchicine alone. Attention was given to changes in a hyperechoic, irregular coating of the hyaline cartilage in the examined joints (double contour sign or "urate icing"). This coating was considered to represent precipitate of MSU crystals. Index joints included metacarpophalangeal (MCP) joints (n = 2), knee joints (n = 3), and first metatarsophalangeal (MTP) joints (n = 2). The interval between baseline and follow-up images ranged from 7 to 18 months. Serial SU levels were obtained during the follow-up period. During the follow-up period, three patients treated with ULD (allopurinol, n = 2; probenecid, n = 1) achieved a SU level of or =7 mg/dl. In one patient treated with allopurinol, SU levels improved from 13 to 7 mg/dl during the follow-up period. Decrease, but not resolution of the hyperechoic coating was seen in this patient. In the patient treated with colchicine alone, SU levels remained >8 mg/dl, and no sonographic change was observed. In our patients, sonographic signs of deposition of MSU crystals on the surface of hyaline cartilage disappeared completely if sustained normouricemia was achieved. This is the first report showing that characteristic sonographic changes are influenced by ULDs once SU levels remain studies are needed to further assess these potentially important findings.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Ensemble refinement shows conformational flexibility in crystal structures of human complement factor D

    International Nuclear Information System (INIS)

    Forneris, Federico; Burnley, B. Tom; Gros, Piet

    2014-01-01

    Ensemble-refinement analysis of native and mutant factor D (FD) crystal structures indicates a dynamical transition in FD from a self-inhibited inactive conformation to a substrate-bound active conformation that is reminiscent of the allostery in thrombin. Comparison with previously observed dynamics in thrombin using NMR data supports the crystallographic ensembles. Human factor D (FD) is a self-inhibited thrombin-like serine proteinase that is critical for amplification of the complement immune response. FD is activated by its substrate through interactions outside the active site. The substrate-binding, or ‘exosite’, region displays a well defined and rigid conformation in FD. In contrast, remarkable flexibility is observed in thrombin and related proteinases, in which Na + and ligand binding is implied in allosteric regulation of enzymatic activity through protein dynamics. Here, ensemble refinement (ER) of FD and thrombin crystal structures is used to evaluate structure and dynamics simultaneously. A comparison with previously published NMR data for thrombin supports the ER analysis. The R202A FD variant has enhanced activity towards artificial peptides and simultaneously displays active and inactive conformations of the active site. ER revealed pronounced disorder in the exosite loops for this FD variant, reminiscent of thrombin in the absence of the stabilizing Na + ion. These data indicate that FD exhibits conformational dynamics like thrombin, but unlike in thrombin a mechanism has evolved in FD that locks the unbound native state into an ordered inactive conformation via the self-inhibitory loop. Thus, ensemble refinement of X-ray crystal structures may represent an approach alternative to spectroscopy to explore protein dynamics in atomic detail

  20. 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.

  1. Chiral crystal of a C2v-symmetric 1,3-diazaaulene derivative showing efficient optical second harmonic generation

    KAUST Repository

    Ma, Xiaohua; Fu, Limin; Zhao, Yunfeng; Ai, Xicheng; Zhang, Jianping; Han, Yu; Guo, Zhixin

    2011-01-01

    the moderate static first hyperpolarizabilities (β0) for both APNA [(136 ± 5) à - 10-30 esu] and DPAPNA [(263 ± 20) à - 10-30 esu], only APNA crystal shows a powder efficiency of second harmonic generation (SHG) of 23 times that of urea. It is shown

  2. 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

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Synthesis of electro-optically active polymer composite of poly[2,2'-bis(3,4-ethylenedioxythiophene-alt-fluorene]/hydroxypropyl cellulose showing liquid crystal structure

    Directory of Open Access Journals (Sweden)

    N. Eguchi

    2017-10-01

    Full Text Available Electrochemical preparation of a composite consisting of poly[2,2′-bis(3,4-ethylenedioxythiophene-alt-fluorene] and hydroxypropyl cellulose (PEFE/HPC was carried out. We conducted electrochemical polymerization of poly[2,2′-bis(3,4-ethylenedioxythiophene-alt-fluorene] (EFE as a monomer in a lyotropic liquid crystal of HPC. We used an organic solvent instead of water for lyotropic liquid crystal medium to expand the possibility of the range of monomers, although water is usually employed as a solvent for HPC for showing liquid crystallinity. Here, we employed N,N-dimethylformamide (DMF as a solvent for HPC. Electrochemical polymerization in the polymer liquid crystal was carried out to obtain a polymer film with liquid crystal order. The polymer film thus prepared exhibited optical activity. Fourier transfer infrared (FT-IR absorption spectroscopy reveals that the film is a composite consisting of HPC and polymer. The composite PEFE/HPC thus prepared in HPC/DMF system showed electrochromism.

  10. 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.

  11. 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...

  12. 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.

  13. 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.

  14. 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

  15. 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...

  16. 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

  17. 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

  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. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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)

  10. 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.

  11. 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

  12. 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.

  13. 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…

  14. 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...

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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)

  20. 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....

  1. 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

  2. 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.

  3. 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.

  4. 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)

  5. 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.

  6. 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.

  7. 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).

  8. 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.

  9. Crystal Structure of the Full-Length Feline Immunodeficiency Virus Capsid Protein Shows an N-Terminal β-Hairpin in the Absence of N-Terminal Proline

    Directory of Open Access Journals (Sweden)

    Christelle Folio

    2017-11-01

    Full Text Available Feline immunodeficiency virus (FIV is a member of the Retroviridae family. It is the causative agent of an acquired immunodeficiency syndrome (AIDS in cats and wild felines. Its capsid protein (CA drives the assembly of the viral particle, which is a critical step in the viral replication cycle. Here, the first atomic structure of full-length FIV CA to 1.67 Å resolution is determined. The crystallized protein exhibits an original tetrameric assembly, composed of dimers which are stabilized by an intermolecular disulfide bridge induced by the crystallogenesis conditions. The FIV CA displays a standard α-helical CA topology with two domains, separated by a linker shorter than other retroviral CAs. The β-hairpin motif at its amino terminal end, which interacts with nucleotides in HIV-1, is unusually long in FIV CA. Interestingly, this functional β-motif is formed in this construct in the absence of the conserved N-terminal proline. The FIV CA exhibits a cis Arg–Pro bond in the CypA-binding loop, which is absent in known structures of lentiviral CAs. This structure represents the first tri-dimensional structure of a functional, full-length FIV CA.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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).

  16. 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

  17. 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...

  18. 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)

  19. 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)

  20. 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.

  1. 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

  2. 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

  3. 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

  4. 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)

  5. 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...

  6. Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C2n , 2n = 74, 82) show cage isomer dependent oxidation states for U.

    Science.gov (United States)

    Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin L; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M; Echegoyen, Luis

    2017-08-01

    Charge transfer is a general phenomenon observed for all endohedral mono-metallofullerenes. Since the detection of the first endohedral metallofullerene (EMF), La@C 82 , in 1991, it has always been observed that the oxidation state of a given encapsulated metal is always the same, regardless of the cage size. No crystallographic data exist for any early actinide endohedrals and little is known about the oxidation states for the few compounds that have been reported. Here we report the X-ray structures of three uranium metallofullerenes, U@ D 3h -C 74 , U@ C 2 (5)-C 82 and U@ C 2v (9)-C 82 , and provide theoretical evidence for cage isomer dependent charge transfer states for U. Results from DFT calculations show that U@ D 3h -C 74 and U@ C 2 (5)-C 82 have tetravalent electronic configurations corresponding to U 4+ @ D 3h -C 74 4- and U 4+ @ C 2 (5)-C 82 4- . Surprisingly, the isomeric U@ C 2v (9)-C 82 has a trivalent electronic configuration corresponding to U 3+ @ C 2v (9)-C 82 3- . These are the first X-ray crystallographic structures of uranium EMFs and this is first observation of metal oxidation state dependence on carbon cage isomerism for mono-EMFs.

  7. 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

  8. 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.

  9. 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)

  10. 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...

  11. 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...

  12. 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)

  13. 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.

  14. 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.

  15. Replacement of the cooling tower packing at the Goesgen-Daeniken AG nuclear power plant; Ersatz der Kuehlturmeinbauten im Kernkraftwerk Goesgen-Daeniken

    Energy Technology Data Exchange (ETDEWEB)

    Rich, Hans Walter [Kernkraftwerk Goesgen-Daeniken AG, Daeniken (Switzerland)

    2012-07-01

    In 2005 the asbestos cement cooling tower packing was replaced by plastic material. Two years later, the packing showed strong deformations, deposits of solids and weight gain. At the end of 2007 parts of the packing collapsed into the cooling tower basin. Investigations were made, revealing that the thickness of the packing foil was too low and that packing geometry and biofilms on the surface of the packing favoured deposition of solids. Successful measures were taken to solve the problems. (orig.)

  16. 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.

  17. 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.

  18. 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…

  19. 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...

  20. 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.

  1. 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.

  2. Shear and Rapeseed Oil Addition Affect the Crystal Polymorphic Behavior of Milk Fat

    DEFF Research Database (Denmark)

    Kaufmann, Niels; Kirkensgaard, Jacob Judas Kain; Andersen, Ulf

    2013-01-01

    The effect of shear on the crystallization kinetics of anhydrous milk fat (AMF) and blends with 20 and 30 % w/w added rapeseed oil (RO) was studied. Pulse 1H NMR was used to follow the a to b0 polymorphic transition. The NMR method was confirmed and supported by SAXS/WAXS experiments. Samples were...... faster in the presence of RO allowing more room for the conformational changes to occur. Final SFC decreased with increasing RO content. Shear applied in 20 and 30 % blends caused the destruction of b0-related 3L structure leaving only 2L packing. In AMF and statically crystallized samples, both 3L and 2......L packing existed. Shear did not affect the amount of b crystals formed. The study shows that both shear and RO affect the polymorphic behavior of milk fat, and that 1H NMR is able to detect polymorphic transition in blends with up to 30 % w/w RO....

  3. Recycling of packing plastics

    International Nuclear Information System (INIS)

    Gintenreiter-Koegl, S.

    2001-05-01

    The ordinance on the avoidance of packaging waste was a serious intervention in the public and private waste management in Austria. Above all the high expenses for an overall packaging waste collection and the recycling of packaging plastics were criticized. The landfill ordinance comes into force in 2004 and this means another major change in the Austrian waste management system. In the course of this change the overall collection and the recycling and recovery of waste streams, especially of the high caloric plastics waste, have to be discussed again. The goal of this work was on the one hand to develop and adapt the hydrocracking process for the recovery of mixed plastics waste and to show a possible application in Austria. On the other hand the work shows the technical, ecological and economical conditions for packaging plastics recycling and recovery in order to find optimum applications for the processes and to examine their contribution to a sustainable development. A hydrocracking test plant for the processing of mixed plastic wastes was built and had been running for about three years. The tests were carried out successfully and the suitability of the technology for the recovery of packaging plastics could be shown. Results show at least a 35 % yield of fuel. The hydrocracking technology is quite common in the oil industries and therefore an integration on a refinery site is suggested. (author)

  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. 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.

  6. 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)

  7. 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.

  8. 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)

  9. 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...

  10. 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...

  11. 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

  12. 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

  13. HETP evaluation of structured packing distillation column

    Directory of Open Access Journals (Sweden)

    A. E. Orlando Jr.

    2009-09-01

    former model by Bravo, Rocha and Fair (1985 underestimates HETP values; however, with the modifications proposed in this work, it has achieved more realistic performance prediction, remaining a good choice for gauze packing HETP evaluation. Having the advantage of avoiding the calculation of effective area and mass transfer coefficients, an empirical model proposed by Carrillo and coworkers (2000 was also investigated, showing low deviations compared to the theoretical models tested.

  14. 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)

  15. The benefits of hypopharyngeal packing in nasal surgery: a pilot study.

    LENUS (Irish Health Repository)

    Fennessy, B G

    2012-02-01

    BACKGROUND: Hypopharyngeal packs are used in nasal surgery to reduce the risk of aspiration and postoperative nausea and vomiting. Side effects associated with their use range from throat pain to retained packs postoperatively. AIM: To evaluate, as a pilot study, postoperative nausea\\/vomiting and throat pain scores for patients undergoing nasal surgery in whom a wet or dry hypopharyngeal pack was placed compared with patients who received no packing. METHODS: A randomized, double-blind prospective trial in a general ENT unit. RESULTS: The study failed to show a statistically significant difference between the three groups in terms of their postoperative nausea\\/vomiting and throat pain scores at 2 and 6 h postoperatively. This is the first study in which dry packs have been compared with wet and absent packs. CONCLUSION: Based on our findings, the authors recommend against placing hypopharyngeal packs for the purpose of preventing postoperative nausea and vomiting.

  16. Structures of the OmpF porin crystallized in the presence of foscholine-12.

    Science.gov (United States)

    Kefala, Georgia; Ahn, Chihoon; Krupa, Martin; Esquivies, Luis; Maslennikov, Innokentiy; Kwiatkowski, Witek; Choe, Senyon

    2010-05-01

    The endogenous Escherichia coli porin OmpF was crystallized as an accidental by-product of our efforts to express, purify, and crystallize the E. coli integral membrane protein KdpD in the presence of foscholine-12 (FC12). FC12 is widely used in membrane protein studies, but no crystal structure of a protein that was both purified and crystallized with this detergent has been reported in the Protein Data Bank. Crystallization screening for KdpD yielded two different crystals of contaminating protein OmpF. Here, we report two OmpF structures, the first membrane protein crystal structures for which extraction, purification, and crystallization were done exclusively with FC12. The first structure was refined in space group P21 with cell parameters a = 136.7 A, b = 210.5 A, c = 137 A, and beta = 100.5 degrees , and the resolution of 3.8 A. The second structure was solved at the resolution of 4.4 A and was refined in the P321 space group, with unit cell parameters a = 215.5 A, b = 215.5 A, c = 137.5 A, and gamma = 120 degrees . Both crystal forms show novel crystal packing, in which the building block is a tetrahedral arrangement of four trimers. Additionally, we discuss the use of FC12 for membrane protein crystallization and structure determination, as well as the problem of the OmpF contamination for membrane proteins overexpressed in E. coli.

  17. 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....

  18. 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...

  19. 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.

  20. 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...

  1. 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

  2. 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

  3. The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.

    Science.gov (United States)

    Bartho, Joseph D; Bellini, Dom; Wuerges, Jochen; Demitri, Nicola; Toccafondi, Mirco; Schmitt, Armin O; Zhao, Youfu; Walsh, Martin A; Benini, Stefano

    2017-01-01

    AmyR is a stress and virulence associated protein from the plant pathogenic Enterobacteriaceae species Erwinia amylovora, and is a functionally conserved ortholog of YbjN from Escherichia coli. The crystal structure of E. amylovora AmyR reveals a class I type III secretion chaperone-like fold, despite the lack of sequence similarity between these two classes of protein and lacking any evidence of a secretion-associated role. The results indicate that AmyR, and YbjN proteins in general, function through protein-protein interactions without any enzymatic action. The YbjN proteins of Enterobacteriaceae show remarkably low sequence similarity with other members of the YbjN protein family in Eubacteria, yet a high level of structural conservation is observed. Across the YbjN protein family sequence conservation is limited to residues stabilising the protein core and dimerization interface, while interacting regions are only conserved between closely related species. This study presents the first structure of a YbjN protein from Enterobacteriaceae, the most highly divergent and well-studied subgroup of YbjN proteins, and an in-depth sequence and structural analysis of this important but poorly understood protein family.

  4. Crystal structure of Vδ1 T cell receptor in complex with CD1d-sulfatide shows MHC-like recognition of a self-lipid by human γδ T cells.

    Science.gov (United States)

    Luoma, Adrienne M; Castro, Caitlin D; Mayassi, Toufic; Bembinster, Leslie A; Bai, Li; Picard, Damien; Anderson, Brian; Scharf, Louise; Kung, Jennifer E; Sibener, Leah V; Savage, Paul B; Jabri, Bana; Bendelac, Albert; Adams, Erin J

    2013-12-12

    The nature of the antigens recognized by γδ T cells and their potential recognition of major histocompatibility complex (MHC)-like molecules has remained unclear. Members of the CD1 family of lipid-presenting molecules are suggested ligands for Vδ1 TCR-expressing γδ T cells, the major γδ lymphocyte population in epithelial tissues. We crystallized a Vδ1 TCR in complex with CD1d and the self-lipid sulfatide, revealing the unusual recognition of CD1d by germline Vδ1 residues spanning all complementarity-determining region (CDR) loops, as well as sulfatide recognition separately encoded by nongermline CDR3δ residues. Binding and functional analysis showed that CD1d presenting self-lipids, including sulfatide, was widely recognized by gut Vδ1+ γδ T cells. These findings provide structural demonstration of MHC-like recognition of a self-lipid by γδ T cells and reveal the prevalence of lipid recognition by innate-like T cell populations. Copyright © 2013 Elsevier Inc. All rights reserved.

  5. Crystal structures of eight mono-methyl alkanes (C26–C32 via single-crystal and powder diffraction and DFT-D optimization

    Directory of Open Access Journals (Sweden)

    Lee Brooks

    2015-09-01

    Full Text Available The crystal structures of eight mono-methyl alkanes have been determined from single-crystal or high-resolution powder X-ray diffraction using synchrotron radiation. Mono-methyl alkanes can be found on the cuticles of insects and are believed to act as recognition pheromones in some social species, e.g. ants, wasps etc. The molecules were synthesized as pure S enantiomers and are (S-9-methylpentacosane, C26H54; (S-9-methylheptacosane and (S-11-methylheptacosane, C28H58; (S-7-methylnonacosane, (S-9-methylnonacosane, (S-11-methylnonacosane and (S-13-methylnonacosane, C30H62; and (S-9-methylhentriacontane, C32H66. All crystallize in space group P21. Depending on the position of the methyl group on the carbon chain, two packing schemes are observed, in which the molecules pack together hexagonally as linear rods with terminal and side methyl groups clustering to form distinct motifs. Carbon-chain torsion angles deviate by less than 10° from the fully extended conformation, but with one packing form showing greater curvature than the other near the position of the methyl side group. The crystal structures are optimized by dispersion-corrected DFT calculations, because of the difficulties in refining accurate structural parameters from powder diffraction data from relatively poorly crystalline materials.

  6. 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 ...

  7. Structural origin of dynamic heterogeneity in three-dimensional colloidal glass formers and its link to crystal nucleation.

    Science.gov (United States)

    Kawasaki, Takeshi; Tanaka, Hajime

    2010-06-16

    The physical understanding of glass transition remains a major challenge of physics and materials science. Among various glass-forming liquids, a colloidal liquid interacting with hard-core repulsion is now regarded as one of the most ideal model systems. Here we study the structure and dynamics of three-dimensional polydisperse colloidal liquids by Brownian dynamics simulations. We reveal that medium-range crystalline bond orientational order of the hexagonal close packed structure grows in size and lifetime with increasing packing fraction. We show that dynamic heterogeneity may be a direct consequence of this transient structural ordering, which suggests its origin is thermodynamic rather than kinetic. We also reveal that nucleation of crystals preferentially occurs in regions of high medium-range order, reflecting the low crystal-liquid interfacial energy there. These findings may shed new light not only on the fundamental nature of the glass transition, but also the mechanism of crystal nucleation.

  8. 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)

  9. 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)

  10. 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)

  11. 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.

  12. 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

  13. 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

  14. 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.

  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. The influence of bamboo-packed configuration to mixing characteristics in a fixed-bed reactor

    Science.gov (United States)

    Detalina, M.; Pradanawati, S. A.; Widyarani; Mamat; Nilawati, D.; Sintawardani, N.

    2018-03-01

    Fixed-bed reactors are commonly used as bioreactors for various applications, including chemicals production and organic wastewater treatment. Bioreactors are fixed with packing materials for attaching microorganisms. Packing materials should have high surface area and enable sufficient fluid flow in the reactor. Natural materials e.g. rocks and fibres are often used as packing materials. Commercially, packing materials are also produced from polymer with the advantage of customizable shapes. The objective of this research was to study the mixing pattern in a packed-bed reactor using bamboo as packing material. Bamboo was selected for its pipe-like and porous form, as well as its abundant availability in Indonesia. The cut bamboo sticks were installed in a reactor in different configurations namely vertical, horizontal, and random. Textile dye was used as a tracer. Our results show that the vertical configuration gave the least liquid resistant flow. Yet, the random configuration was the best configuration during mixing process.

  18. Goddard rattler-jamming mechanism for quantifying pressure dependence of elastic moduli of grain packs

    Energy Technology Data Exchange (ETDEWEB)

    Pride, Steven R.; Berryman, James G.

    2009-01-05

    An analysis is presented to show how it is possible for unconsolidated granular packings to obey overall non-Hertzian pressure dependence due to the imperfect and random spatial arrangements of the grains in these packs. With imperfect arrangement, some gaps that remain between grains can be closed by strains applied to the grain packing. As these gaps are closed, former rattler grains become jammed and new stress-bearing contacts are created that increase the elastic stiffness of the packing. By allowing for such a mechanism, detailed analytical expressions are obtained for increases in bulk modulus of a random packing of grains with increasing stress and strain. Only isotropic stress and strain are considered in this analysis. The model is shown to give a favorable fit to laboratory data on variations in bulk modulus due to variations in applied pressure for bead packs.

  19. 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

  20. 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

  1. 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)

  2. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Science.gov (United States)

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  3. Resolution of the hydroxyapatite crystal lattice in bone and dental enamel by electron microscopy

    International Nuclear Information System (INIS)

    Selvig, K.A.

    1975-01-01

    The molecular and atomic structure of hydroxyapatite was studied by transmission electron microscopy. The form, size and packing of hydroxyapatite crystals in sections of bone and dental hard tissues could be determined. Lattice fringe patterns with repeat distances in the range 2.7-8.2 A occurred in images of individual crystals. On the basis of these fringes the true orientation of the crystals relative to the plane of sectioning was calculated. The observed crystal lattice spacings and interplanar angles were in close agreement with data derived from X-ray diffraction analysis. This study shows that the possibility exists of relating crystallographic analysis to the morphology and fine structure of calcified tissue in health and disease

  4. 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

  5. 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

  6. 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...

  7. The effects of ruthenium on the phase stability of fourth generation Ni-base single crystal superalloys

    International Nuclear Information System (INIS)

    Sato, Atsushi; Harada, Hiroshi; Yokokawa, Tadaharu; Murakumo, Takao; Koizumi, Yutaka; Kobayashi, Toshiharu; Imai, Hachiro

    2006-01-01

    The formation of topologically close-packed (TCP) phases in nickel-base single crystal superalloys causes considerable degradation of the mechanical properties. It has recently been found that platinum-group metals can be effective in controlling the precipitation of such phases, and this extent of precipitation control requires further investigation. This study compares Ru-containing and non-Ru-containing single crystal superalloys. Scanning electron microscopy microstructural observations showed that the rate of TCP phase precipitations decreased through Ru addition. Transmission electron microscopy microstructural observations showed that the P phase, one of the TCP phases, was eliminated through the addition of Ru. The occurrence of this phenomenon will be discussed

  8. 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)

  9. 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....

  10. 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.

  11. Characteristic Ligand-Induced Crystal Forms of HIV-1 Protease Complexes: A Novel Discovery of X-Ray Crystallography

    International Nuclear Information System (INIS)

    Olajuyigbe, Folasade M.; Geremia, Silvano

    2009-10-01

    Mixtures of saquinavir (SQV) and ritonavir (RTV) were cocrystallized with HIV-1 protease (PR) in an attempt to compare their relative potencies using a crystallographic approach and factors responsible for the respective crystal forms obtained were examined. The mixture ratio of the SQV/RTV was in the range of 1:1 to 1:50 with increasing concentration of dimethyl sulphoxide (DMSO) used. Two crystal forms of PR complexes were obtained. At concentrations of 0.8 and 1.2 % DMSO using 1:1 and 1:15 ratios of SQV/RTV, the crystal form was monoclinic while increasing the concentration of DMSO to 3.2 and 5.0% using 1:15 and 1:50 ratios of SQV/RTV, the orthorhombic crystal form was obtained. The high resolution X-ray crystal structures of the PR/ inhibitor complexes reveal that crystal forms with respective space groups are dependent on the occupancy of either SQV or RTV in the active site of the PR. The occupancy of either of the PR inhibitors in the active site of PR has interestingly demonstrated unique cooperativity effects in crystallization of protein-ligand complexes. The crystal forms obtained were also related to the concentration of DMSO and ammonium sulphate in crystallization, and storage conditions of purified PR. Surprisingly, the relative occupancies of these inhibitors in the active site suggested a competition between the two inhibitors which were not inhibition constants related. Analysis of the structures in both crystal forms show no difference in DMSO content but at higher concentration of DMSO (3.2 - 5.0%) in the orthorhombic crystal forms, there were protein-sulphate interactions which were absent in the monoclinic forms with lower concentration (0.8 - 1.2%) of DMSO. This work has clearly demonstrated that there is cooperativity in crystallization and the conditions of crystallization influence specific intermolecular contacts in crystal packing (crystal form). (author)

  12. 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 ...

  13. An experimental comparison of some heuristics for cardinality constrained bin packing problem

    Directory of Open Access Journals (Sweden)

    Maja Remic

    2012-01-01

    Full Text Available Background: Bin packing is an NPhard optimization problem of packing items of given sizes into minimum number of capacitylimited bins. Besides the basic problem, numerous other variants of bin packing exist. The cardinality constrained bin packing adds an additional constraint that the number of items in a bin must not exceed a given limit Nmax. Objectives: Goal of the paper is to present a preliminary experimental study which demostrates adaptations of the new algorithms to the general cardinality constrained bin packing problem. Methods/Approach: Straightforward modifications of First Fit Decreasing (FFD, Refined First Fit (RFF and the algorithm by Zhang et al. for the bin packing problem are compared to four cardinality constrained bin packing problem specific algorithms on random lists of items with 0%, 10%, 30% and 50% of large items. The behaviour of all algorithms when cardinality constraint Nmax increases is also studied. Results: Results show that all specific algorithms outperform the general algorithms on lists with low percentage of big items. Conclusions: One of the specific algorithms performs better or equally well even on lists with high percentage of big items and is therefore of significant interest. The behaviour when Nmax increases shows that specific algorithms can be used for solving the general bin packing problem as well.

  14. Consumer perceptions of cigarette pack design in France: a comparison of regular, limited edition and plain packaging.

    Science.gov (United States)

    Gallopel-Morvan, Karine; Moodie, Crawford; Hammond, David; Eker, Figen; Beguinot, Emmanuelle; Martinet, Yves

    2012-09-01

    In the face of comprehensive bans on the marketing of tobacco products, packaging has become an increasingly important promotional tool for the tobacco industry. A ban on the use of branding on tobacco packaging, known as 'plain' packaging, has emerged as a promising regulatory strategy. The current study sought to examine perceptions of cigarette packaging among adults in France. Adult smokers and non-smokers (N=836) were surveyed using computer-assisted personal interviewing to assess perceptions of pack design by comparing 'regular' branded packs and 'limited edition' packs (with novel designs or innovations) with 'plain' versions of these packs with all branding, including colour, removed. Plain packs (PP) were less likely than regular packs, and particularly limited edition packs, to be considered attractive, attention grabbing and likely to motivate youth purchase. PPs were also rated as the most effective in convincing non-smokers not to start and smokers to reduce consumption and quit. Logistic regression showed that smokers motivated to quit, in comparison to smokers not motivated to quit, were significantly more likely to consider the PPs as the packs most likely to motivate cessation. Novel cigarette packaging, in the form of limited edition packs, had the highest ratings of consumer appeal, ahead of regular branded packs and also PPs. Interestingly, PPs were perceived to be the packs most likely to promote cessation among those adults with quitting intentions. Plain packaging, therefore, may be a means of helping existing adult smokers motivated to quit to do so.

  15. 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.

  16. 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.

  17. Effects of hydrodynamic interaction on random adhesive loose packings of micron-sized particles

    Directory of Open Access Journals (Sweden)

    Liu Wenwei

    2017-01-01

    Full Text Available Random loose packings of monodisperse spherical micron-sized particles under a uniform flow field are investigated via an adhesive discrete-element method with the two-way coupling between the particles and the fluid. Characterized by a dimensionless adhesion parameter, the packing fraction follows the similar law to that without fluid, but results in larger values due to the hydrodynamic compression. The total pressure drop through the packed bed shows a critical behaviour at the packing fraction of ϕ ≈ 0.22 in the present study. The normalized permeability of the packed bed for different parameters increases with the increase of porosities and is also in consistent with the Kozeny-Carman equation.

  18. Visual nesting system for irregular cutting-stock problem based on rubber band packing algorithm

    Directory of Open Access Journals (Sweden)

    Xiaoping Liao

    2016-05-01

    Full Text Available This article deals with the packing problem of irregular items allocated into a rectangular sheet to minimize the waste. Conventional solution is not visual during the packing process. It obtains a reasonable and relatively satisfactory solution between the nesting time and nesting solution. This article adopts a physical method that uses rubber band packing algorithm to simulate a rubber band wrapping those packing irregular items. The simulation shows a visual and fast packing process. The resultant rubber band force is applied in the packing items to translate, rotate, and slide them to make the area decrease and obtain a high packing density. An improved analogy QuickHull algorithm is presented to obtain extreme points of rubber band convex hull. An adaptive module could set a variable rubber band force and a variable time step to make a proper convergence and no intersection. A quick convex decomposition method is used to solve the problem of concave polygon. A plural vector expression approach is adopted to calculate the resultant vector of the rubber band force. Several cases are compared with the benchmark problems to prove rubber band packing algorithm performance.

  19. Degradation of nitrobenzene in simulated wastewater by iron-carbon micro-electrolysis packing.

    Science.gov (United States)

    Li, Meng; Zou, Donglei; Zou, Haochen; Fan, Dongyan

    2011-12-01

    The reductive degradation of nitrobenzene (NB) by iron-carbon micro-electrolysis packing was investigated. The influence of initial NB concentration, pH value and packing amount on the removal rate of NB were studied. The results showed that the reaction with packing followed the pseudo-first-order reaction. The optimum pH was 3.0 for the degradation of NB in the tested pH ranges of 3-9 and the optimum packing amount was 40 g/200 ml. The flow-through column packed with packing was designed to remove NB from simulated wastewater for approximately 68 days. The removal rate was over 90% within initial periods. It could be seen that after running for 68 days, the packing still had good performance after the long-term column experiment. In addition, the changes of the packing surfaces morphologies and matters before, during and after the column experiment were analysed by scanning electron microscopy in conjunction with energy-dispersion spectroscopy (EDS).

  20. Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline-3-hydroxy-4-methoxybenzaldehyde

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S. [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India); Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India)

    2012-06-15

    The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV-Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: Black-Right-Pointing-Pointer Novel organic complex was synthesized using Green or solvent free synthesis. Black-Right-Pointing-Pointer Phase diagram study provided the information to identify the worthy composition of novel complex. Black-Right-Pointing-Pointer The single crystal of the sufficient size was grown from the ethanol solution. Black-Right-Pointing-Pointer Crystal analysis suggested that the covalent bond is formed between the two parent compounds. Black-Right-Pointing-Pointer The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

  1. Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline–3-hydroxy-4-methoxybenzaldehyde

    International Nuclear Information System (INIS)

    Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S.; Rai, R.N.

    2012-01-01

    The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV–Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: ► Novel organic complex was synthesized using Green or solvent free synthesis. ► Phase diagram study provided the information to identify the worthy composition of novel complex. ► The single crystal of the sufficient size was grown from the ethanol solution. ► Crystal analysis suggested that the covalent bond is formed between the two parent compounds. ► The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

  2. Effect of long-range repulsive Coulomb interactions on packing structure of adhesive particles.

    Science.gov (United States)

    Chen, Sheng; Li, Shuiqing; Liu, Wenwei; Makse, Hernán A

    2016-02-14

    The packing of charged micron-sized particles is investigated using discrete element simulations based on adhesive contact dynamic model. The formation process and the final obtained structures of ballistic packings are studied to show the effect of interparticle Coulomb force. It is found that increasing the charge on particles causes a remarkable decrease of the packing volume fraction ϕ and the average coordination number 〈Z〉, indicating a looser and chainlike structure. Force-scaling analysis shows that the long-range Coulomb interaction changes packing structures through its influence on particle inertia before they are bonded into the force networks. Once contact networks are formed, the expansion effect caused by repulsive Coulomb forces are dominated by short-range adhesion. Based on abundant results from simulations, a dimensionless adhesion parameter Ad*, which combines the effects of the particle inertia, the short-range adhesion and the long-range Coulomb interaction, is proposed and successfully scales the packing results for micron-sized particles within the latest derived adhesive loose packing (ALP) regime. The structural properties of our packings follow well the recent theoretical prediction which is described by an ensemble approach based on a coarse-grained volume function, indicating some kind of universality in the low packing density regime of the phase diagram regardless of adhesion or particle charge. Based on the comprehensive consideration of the complicated inter-particle interactions, our findings provide insight into the roles of short-range adhesion and repulsive Coulomb force during packing formation and should be useful for further design of packings.

  3. 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...

  4. 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.

  5. Neutron transmission through pyrolytic graphite crystals

    Energy Technology Data Exchange (ETDEWEB)

    Adib, M. [Reactor Physics Department NRC, Reactor Physics Division, Nuclear Research Center, Egyptian Atomic Energy Authority, Cairo 13759 (Egypt); Habib, N. [Reactor Physics Department NRC, Reactor Physics Division, Nuclear Research Center, Egyptian Atomic Energy Authority, Cairo 13759 (Egypt)]. E-mail: nadiahabib15@yahoo.com; Fathaalla, M. [Reactor Physics Department NRC, Reactor Physics Division, Nuclear Research Center, Egyptian Atomic Energy Authority, Cairo 13759 (Egypt)

    2006-05-15

    Calculation of the total cross-section, neutron transmission and removal coefficient of pyrolytic graphite (PG) for thermal neutron energies were carried out using an additive formula. The formula takes into account the variation of thermal diffuse and Bragg scattering cross-sections in terms of PG temperature and mosaic spread for neutron energies in the range 1 meV to 1 eV. A computer code PG has been developed which allow calculations for the graphite in its hexagonal close-packed structure, when its c-direction is parallel with incident neutron beam (parallel orientation). The calculated total neutron cross-sections for PG in parallel orientation at different mosaic spreads were compared with the measured values. An overall agreement is indicated between the formula fits and experimental data at room and liquid nitrogen temperatures. A feasibility study for use of PG crystals as second-order neutron filter is detailed in terms of mosaic spread, optimum thickness and temperature. The calculated removal coefficients of PG crystals show that such crystals are high efficiency second-order filter within neutron energy intervals (4-7 meV) and (10-15 meV)

  6. Experimental investigation on flow patterns of gas-liquid two-phase upward flow through packed channel with spheres

    International Nuclear Information System (INIS)

    Zhang Nan; Sun Zhongning; Zhao Zhongnan

    2011-01-01

    Experiments of visualized two-phase upward flow were conducted in the packed channel, which filled with 3, 5, 8 mm in diameter of glass sphere respectively. The gas superficial velocity ranges from 0.005 to 1.172 m/s. The liquid superficial velocity ranges from 0.004 to 0.093 m/s. Four representative flow patterns were observed as bubbly flow, cluster flow, liquid-pulse flow and churn-pulse flow, and corresponding flow pattern maps were also presented. It is found that the pulse flow region is dominant. The comparisons of flow pattern map between packed channel and non-packed channel show that the bubbly flow region in packed channel is narrower than that of non-packed channel due to the packing. The comparisons of flow pattern maps for three different packing sizes show that the cluster flow region expands with the increase of the packing diameter. In the low liquid superficial velocity, the cluster flow directly changes to churn-pulse flow in the packed channel with 8 mm packing. (authors)

  7. 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

  8. Consumer preferences for front-of-pack calories labelling.

    Science.gov (United States)

    van Kleef, Ellen; van Trijp, Hans; Paeps, Frederic; Fernández-Celemín, Laura

    2008-02-01

    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.

  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. Crystallization of bi-functional ligand protein complexes.

    Science.gov (United States)

    Antoni, Claudia; Vera, Laura; Devel, Laurent; Catalani, Maria Pia; Czarny, Bertrand; Cassar-Lajeunesse, Evelyn; Nuti, Elisa; Rossello, Armando; Dive, Vincent; Stura, Enrico Adriano

    2013-06-01

    Homodimerization is important in signal transduction and can play a crucial role in many other biological systems. To obtaining structural information for the design of molecules able to control the signalization pathways, the proteins involved will have to be crystallized in complex with ligands that induce dimerization. Bi-functional drugs have been generated by linking two ligands together chemically and the relative crystallizability of complexes with mono-functional and bi-functional ligands has been evaluated. There are problems associated with crystallization with such ligands, but overall, the advantages appear to be greater than the drawbacks. The study involves two matrix metalloproteinases, MMP-12 and MMP-9. Using flexible and rigid linkers we show that it is possible to control the crystal packing and that by changing the ligand-enzyme stoichiometric ratio, one can toggle between having one bi-functional ligand binding to two enzymes and having the same ligand bound to each enzyme. The nature of linker and its point of attachment on the ligand can be varied to aid crystallization, and such variations can also provide valuable structural information about the interactions made by the linker with the protein. We report here the crystallization and structure determination of seven ligand-dimerized complexes. These results suggest that the use of bi-functional drugs can be extended beyond the realm of protein dimerization to include all drug design projects. Copyright © 2013 Elsevier Inc. All rights reserved.

  12. Epitaxial Ge-crystal arrays for X-ray detection

    International Nuclear Information System (INIS)

    Kreiliger, T; Falub, C V; Müller, E; Känel, H von; Isa, F; Isella, G; Chrastina, D; Bergamaschini, R; Marzegalli, A; Miglio, L; Kaufmann, R; Niedermann, P; Neels, A; Dommann, A; Meduňa, M

    2014-01-01

    Monolithic integration of an X-ray absorber layer on a Si CMOS chip might be a potentially attractive way to improve detector performance at acceptable costs. In practice this requires, however, the epitaxial growth of highly mismatched layers on a Si-substrate, both in terms of lattice parameters and thermal expansion coefficients. The generation of extended crystal defects, wafer bowing and layer cracking have so far made it impossible to put the simple concept into practice. Here we present a way in which the difficulties of fabricating very thick, defect-free epitaxial layers may be overcome. It consists of an array of densely packed, three-dimensional Ge-crystals on a patterned Si(001) substrate. The finite gap between neighboring micron-sized crystals prevents layer cracking and substrate bowing, while extended defects are driven to the crystal sidewalls. We show that the Ge-crystals are indeed defect-free, despite the lattice misfit of 4.2%. The electrical characteristics of individual Ge/Si heterojunction diodes are obtained from in-situ measurements inside a scanning electron microscope. The fabrication of monolithically integrated detectors is shown to be compatible with Si-CMOS processing

  13. 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)

  14. 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

  15. 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.

  16. 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)

  17. 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.

  18. 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

  19. 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...

  20. Direct investigations on strain-induced cold crystallization behavior and structure evolutions in amorphous poly(lactic acid) with SAXS and WAXS measurements

    DEFF Research Database (Denmark)

    Zhou, Chengbo; Li, Hongfei; Zhang, Wenyang

    2016-01-01

    scanning calorimetry (DSC) measurements. The data obtained from the stretched samples within 70-90 degrees C showed that all of the formed crystals are disordered alpha' form with more compact chain packing than that of the cold crystallization. Upon stretching at 70 degrees C, the mesocrystal appears......Strain-induced cold crystallization behavior and structure evolution of amorphous poly(lactic acid) (PLA) stretched within 70-90 degrees C were investigated via in situ synchrotron small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS) measurements as well as differential...... in strain-induced crystallization behavior of amorphous PLA within 70-90 degrees C can be attributed to the competition between chain orientation caused by stretching and chain relaxation. It was proposed that the strain-induced mesocrystal/crystal and the lamellae are formed from the mesophase originally...

  1. Treatment of unicameral bone cysts by curettage and packing with plaster-of-Paris pellets. 1978.

    Science.gov (United States)

    Peltier, Leonard F; Jones, Richard H

    2004-05-01

    Long-term follow-up of twenty-six patients with unicameral bone cysts treated by curettage and packing with plaster-of-Paris pellets showed a recurrence in only two cases and no serious complications.

  2. Effects of kinesio taping and hot packs on premenstrual syndrome in females.

    Science.gov (United States)

    Choi, Jung-Hyun

    2017-09-01

    [Purpose] This study aimed to evaluate the effects of taping and hot packs on premenstrual syndrome, in an attempt to generate basic data for physical therapy intervention for premenstrual syndrome. [Subjects and Methods] Thirty-two females in their 20s with premenstrual syndrome were randomly assigned to a taping group (n=10), hot pack group (n=11), and taping with hot pack group (n=11). Premenstrual syndrome was assessed using the Menstrual Distress Questionnaire in each participant prior to intervention and was re-assessed after applying kinesio taping and/or hot pack from 10 days before the estimated date of menstruation until the first day of menstruation. [Results] Data revealed that the taping and taping with hot pack groups showed significantly reduced premenstrual syndrome following intervention. In terms of the differences in the Menstrual Distress Questionnaire total score among the groups, the taping with hot pack and hot pack groups showed a significant difference. [Conclusion] These findings indicate that kinesio taping is an easy, non-drug intervention for female college students with premenstrual syndrome.

  3. 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

  4. 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...

  5. 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.

  6. The use of radionuclides for the study of crystal structure of solids

    International Nuclear Information System (INIS)

    Jech, C.

    1976-01-01

    It is well known that by the coordinated action of atoms arranged in rows and planes in the crystal lattice, the motion of charged particles such as protons, alpha particles and heavier ions can be influenced so that their range in the single crystals is considerably enhanced in low-index directions. A technique has been developed based on such enhanced penetration (channeling) of radioactive atoms ( 220 Rn) emitted by recoil with a 100 keV energy from a 224 Ra point source to record channeling patterns which show the crystal structure. The radioactive recoil atoms impinging from this source on the surface of a single crystal penetrate deeper in places where their direction of impact is identical with low index crystal directions and planes. These places can be visualized by autoradiography when having first stripped a thin layer from the surface corresponding to the random range of the atoms. This technique is generally applicable in close packed crystals and gives information about the crystal structure of very thin surface layers. (author)

  7. 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

  8. 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.

  9. 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)

  10. An improved theoretical electrochemical-thermal modelling of lithium-ion battery packs in electric vehicles

    Science.gov (United States)

    Amiribavandpour, Parisa; Shen, Weixiang; Mu, Daobin; Kapoor, Ajay

    2015-06-01

    A theoretical electrochemical thermal model combined with a thermal resistive network is proposed to investigate thermal behaviours of a battery pack. The combined model is used to study heat generation and heat dissipation as well as their influences on the temperatures of the battery pack with and without a fan under constant current discharge and variable current discharge based on electric vehicle (EV) driving cycles. The comparison results indicate that the proposed model improves the accuracy in the temperature predication of the battery pack by 2.6 times. Furthermore, a large battery pack with four of the investigated battery packs in series is simulated in the presence of different ambient temperatures. The simulation results show that the temperature of the large battery pack at the end of EV driving cycles can reach to 50 °C or 60 °C in high ambient temperatures. Therefore, thermal management system in EVs is required to maintain the battery pack within the safe temperature range.

  11. 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.

  12. 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)

  13. Growth and optical studies of opal films as three-dimensional photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Comoretto, D.; Grassi, R.; Marabelli, F.; Andreani, L.C

    2003-01-15

    Three-dimensional artificial opals showing photonic crystals properties are grown by self-assembly of polystyrene nanospheres. Atomic force microscopy (AFM) images of opal surfaces show domains with regular triangular and squared packing of the spheres separated by cracks whose relative fraction depends on the sample quality. The energy position of an optical pseudo gap in transmittance spectra is observed by varying the angle of incidence and is accounted for by theoretical calculations of the photonic band structure based on a plane-wave expansion method.

  14. Growth and optical studies of opal films as three-dimensional photonic crystals

    International Nuclear Information System (INIS)

    Comoretto, D.; Grassi, R.; Marabelli, F.; Andreani, L.C.

    2003-01-01

    Three-dimensional artificial opals showing photonic crystals properties are grown by self-assembly of polystyrene nanospheres. Atomic force microscopy (AFM) images of opal surfaces show domains with regular triangular and squared packing of the spheres separated by cracks whose relative fraction depends on the sample quality. The energy position of an optical pseudo gap in transmittance spectra is observed by varying the angle of incidence and is accounted for by theoretical calculations of the photonic band structure based on a plane-wave expansion method

  15. 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...

  16. 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)

  17. Sellar reconstruction without intrasellar packing after endoscopic surgery of pituitary macroadenomas is better than its reputation.

    Science.gov (United States)

    Ismail, Mostafa; Fares, Abd Alla; Abdelhak, Balegh; D'Haens, Jean; Michel, Olaf

    2016-01-01

    Sellar reconstruction with intrasellar packing following endoscopic resection of pituitary macroadenomas remains a subject of clinical and radiological discussion particularly, when an intraoperative cerebrospinal fluid (CSF) leakage is absent. This study was conducted to contribute our experience with sellar reconstruction after a standard endoscopic surgery of pituitary macroadenomas without intraoperative CSF leakage to the ongoing discussion between techniques with and without intrasellar packing. A consecutive series of 47 pituitary macroadenomas undergoing excision via a standard endoscopic endonasal transsphenoidal surgery (EETS) without evident intraoperative CSF leakage were retrospectively evaluated over a 10-months mean follow-up period. According to the sellar reconstruction technique, three groups could be identified: Group A - with no intrasellar packing, Group B - with haemostatic materials packing, and Group C - with abdominal fat packing. Postoperative clinical and radiological assessments of the three groups were documented and analyzed for differences in outcome. Postoperative clinical assessment did not differ significantly between the three groups. In group A, postoperative CSF leakage, sphenoid sinusitis and empty sella syndrome were not observed. However, a significant difference in radiological assessment could be identified; the interpretation of sellar contents in postoperative MRI of group A succeeded earlier and more reliably than in other groups with intrasellar packing. There is no difference in the incidence of postoperative CSF leakage and empty sella syndrome among the various reconstructive techniques with and without intrasellar packing, irrespective of size and extension of the pituitary adenoma. Sellar reconstruction without intrasellar packing following a standard EETS is not inferior to other techniques with packing and even shows more radiological advantages, which made it our preferred technique, at least if no

  18. Sellar reconstruction without intrasellar packing after endoscopic surgery of pituitary macroadenomas is better than its reputation

    Directory of Open Access Journals (Sweden)

    Ismail, Mostafa

    2016-06-01

    Full Text Available Objectives: Sellar reconstruction with intrasellar packing following endoscopic resection of pituitary macroadenomas remains a subject of clinical and radiological discussion particularly, when an intraoperative cerebrospinal fluid (CSF leakage is absent. This study was conducted to contribute our experience with sellar reconstruction after a standard endoscopic surgery of pituitary macroadenomas without intraoperative CSF leakage to the ongoing discussion between techniques with and without intrasellar packing.Methods: A consecutive series of 47 pituitary macroadenomas undergoing excision via a standard endoscopic endonasal transsphenoidal surgery (EETS without evident intraoperative CSF leakage were retrospectively evaluated over a 10-months mean follow-up period. According to the sellar reconstruction technique, three groups could be identified: Group A – with no intrasellar packing, Group B – with haemostatic materials packing, and Group C – with abdominal fat packing. Postoperative clinical and radiological assessments of the three groups were documented and analyzed for differences in outcome.Results: Postoperative clinical assessment did not differ significantly between the three groups. In group A, postoperative CSF leakage, sphenoid sinusitis and empty sella syndrome were not observed. However, a significant difference in radiological assessment could be identified; the interpretation of sellar contents in postoperative MRI of group A succeeded earlier and more reliably than in other groups with intrasellar packing. Conclusions: There is no difference in the incidence of postoperative CSF leakage and empty sella syndrome among the various reconstructive techniques with and without intrasellar packing, irrespective of size and extension of the pituitary adenoma. Sellar reconstruction without intrasellar packing following a standard EETS is not inferior to other techniques with packing and even shows more radiological advantages

  19. Application of Genetic Algorithm for the Bin Packing Problem with a New Representation Scheme

    Directory of Open Access Journals (Sweden)

    N. Mohamadi

    2010-10-01

    Full Text Available The Bin Packing Problem (BPP is to find the minimum number of binsneeded to pack a given set of objects of known sizes so that they donot exceed the capacity of each bin. This problem is known to beNP-Hard [5]; hence many heuristic procedures for its solution havebeen suggested. In this paper we propose a new representation schemeand solve the problem by a Genetic Algorithm. Limited computationalresults show the efficiency of this scheme.

  20. 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

  1. 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

  2. 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.

  3. 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 ...

  4. 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…

  5. 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…

  6. 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.

  7. 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.

  8. 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.

  9. Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives

    KAUST Repository

    Wang, Haitao; Bai, Fuquan; Jia, Xiaoshi; Cao, Di; Ravva, Mahesh Kumar; Bredas, Jean-Luc; Qu, Songnan; Bai, Binglian; Zhang, Hongxing; Li, Min

    2014-01-01

    The molecular aggregation structure of 5,5′-bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) (BOXD-NP) was studied by computing the intermolecular interaction potential energy surface (PES) at density functional theory level based on a dimer model. All B3LYP, CAM-B3LYP and M062x functionals can yield a reliable isolated molecular geometry. The conformation of BOXD-NP obtained with all methods is perfectly planar, indicating good conjugation ability between oxadiazole and naphthalene rings. The vibrational frequencies of BOXD-NP were also calculated using the B3LYP/6-311+G∗∗ method, which showed great consistency with the experimental observations and makes the assignments of the IR spectra more solid. It was revealed that the lowest excited state of BOXD-NP should be assigned as a highly allowed π-π∗ state by TD-DFT calculation. Considering the non-covalent interactions in molecular aggregates, the M062x functional was applied in the construction of the PES. Besides the packing structure found in the crystals, PES also predicted several stable structures, indicating that PES has great ability in guiding molecular self-assembly. Symmetry Adapted Perturbation Theory (SAPT) analysis on these energy-minimum molecular stacking structures revealed that London dispersion forces are the strongest attractive component in the binding. This journal is

  10. Schedulability-Driven Frame Packing for Multi-Cluster Distributed Embedded Systems

    DEFF Research Database (Denmark)

    Pop, Paul; Eles, Petru; Peng, Zebo

    2003-01-01

    We present an approach to frame packing for multi-cluster distributed embedded systems consisting of time-triggered and event-triggered clusters, interconnected via gateways. In our approach, the application messages are packed into frames such that the application is schedulable. Thus, we have...... also proposed a schedulability analysis for applications consisting of mixed event-triggered and time-triggered processes and messages, and a worst case queuing delay analysis for the gateways, responsible for routing inter-cluster traffic. Optimization heuristics for frame packing aiming at producing...... a schedulable system have been proposed. Extensive experiments and a real-life example show the efficiency of our frame-packing approach....

  11. Comparative photoluminescence study of close-packed and colloidal InP/ZnS quantum dots

    Science.gov (United States)

    Thuy, Ung Thi Dieu; Thuy, Pham Thi; Liem, Nguyen Quang; Li, Liang; Reiss, Peter

    2010-02-01

    This letter reports on the comparative photoluminescence study of InP/ZnS quantum dots in the close-packed solid state and in colloidal solution. The steady-state photoluminescence spectrum of the close-packed InP/ZnS quantum dots peaks at a longer wavelength than that of the colloidal ones. Time-resolved photoluminescence shows that the close-packed quantum dots possess a shorter luminescence decay time and strongly increased spectral shift with the time delayed from the excitation moment in comparison with the colloidal ones. The observed behavior is discussed on the basis of energy transfer enabled by the short interparticle distance between the close-packed quantum dots.

  12. Numerical Analysis and Design of Thermal Management System for Lithium Ion Battery Pack Using Thermoelectric Coolers

    Directory of Open Access Journals (Sweden)

    Yong Liu

    2014-08-01

    Full Text Available A new design of thermal management system for lithium ion battery pack using thermoelectric coolers (TECs is proposed. Firstly, the 3D thermal model of a high power lithium ion battery and the TEC is elaborated. Then the model is calibrated with experiment results. Finally, the calibrated model is applied to investigate the performance of a thermal management system for a lithium ion battery pack. The results show that battery thermal management system (BTMS with TEC can cool the battery in very high ambient temperature. It can also keep a more uniform temperature distribution in the battery pack than common BTMS, which will extend the life of the battery pack and may save the expensive battery equalization system.

  13. Solid dispersions of Myricetin with enhanced solubility: Formulation, characterization and crystal structure of stability-impeding Myricetin monohydrate crystals

    Science.gov (United States)

    Mureşan-Pop, M.; Pop, M. M.; Borodi, G.; Todea, M.; Nagy-Simon, T.; Simon, S.

    2017-08-01

    Three solid dispersion forms of Myricetin combined with the Polyvinylpyrrolidone were successfully prepared by spray drying method, and characterized by X-ray powder diffraction, thermal analysis, infrared spectroscopy and optical microscopy. Zeta potential measurements provided indications on solid dispersions stability in aqueous suspension related to their storage at elevated temperature and relative humidity, which depends on the Myricetin load. By increase of Myricetin load, the stability of the solid dispersion is impeded due to growth of Myricetin monohydrate crystals. The amorphous dispersions with 10% and 50% Myricetin load are stable and, compared to pure Myricetin, their aqueous solubility is enhanced by a factor of 47 and 13, respectively. The dispersion with 80% Myricetin load is unstable on storage, and this behavior acts in conjunction with the development of Myricetin monohydrate crystals. Single-crystal X-ray diffraction results obtained for Myricetin monohydrate reveal a structure of an infinite 2D network of hydrogen-bonded molecules involving all six hydroxyl groups of Myricetin. The water molecules are positioned in between the infinite chains, and contribute via H-bonds to robust crystal packing. The calculated needle-like morphology of monohydrate form is in agreement with the optical microscopy results. The study shows that the solid amorphous dispersions with up to 50% Myricetin load are a viable option for achieving substantial solubility improvement of Myricetin, and supports their potential use in pharmaceutical applications.

  14. 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...

  15. Development and performance measurement of micro-power pack using micro-gas turbine driven automotive alternators

    International Nuclear Information System (INIS)

    Sim, Kyuho; Koo, Bonjin; Kim, Chang Ho; Kim, Tae Ho

    2013-01-01

    Highlights: ► We develop micro-power pack using automotive alternator and micro-gas turbine. ► We measure rotordynamic and power generation performance of micro-power pack. ► Micro-power pack shows dramatic increases in mass and volumetric power densities. ► Test results assure feasibility of micro-power pack for electric vehicles. -- Abstract: This paper presents the development of a micro-power pack using automotive alternators powered by a micro-gas turbine (MGT) to recharge battery packs, in particular for electric vehicles (EVs). The thermodynamic efficiency for the MGT with the power turbine is estimated from a simple Brayton cycle analysis. The rotordynamic and power generation performance of the MGT driven alternator was measured during a series of experiments under electrical no-loading and loading conditions, and with belt-pulley and flexible bellows couplings. The flexible coupling showed superior rotordynamic and power generation performance than the belt coupling due to the enhanced alignment of the alternator rotor and the reduced mechanical frictions. Furthermore, the micro-power pack showed dramatic increases in the mass and volumetric power densities by ∼4 times and ∼5 times, respectively, compared with those of a commercial diesel generator with similar power level. As a result, this paper assures the feasibility of the light-weight micro-power pack using a MGT and automotive alternators for EVs.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. 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

  6. 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 ...

  7. 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

  8. Stability and convergence analysis of the quasi-dynamics method for the initial pebble packing

    International Nuclear Information System (INIS)

    Li, Y.; Ji, W.

    2012-01-01

    The simulation for the pebble flow recirculation within Pebble Bed Reactors (PBRs) requires an efficient algorithm to generate an initial overlap-free pebble configuration within the reactor core. In the previous work, a dynamics-based approach, the Quasi-Dynamics Method (QDM), has been proposed to generate densely distributed pebbles in PBRs with cylindrical and annular core geometries. However, the stability and the efficiency of the QDM were not fully addressed. In this work, the algorithm is reformulated with two control parameters and the impact of these parameters on the algorithm performance is investigated. Firstly, the theoretical analysis for a 1-D packing system is conducted and the range of the parameter in which the algorithm is convergent is estimated. Then, this estimation is verified numerically for a 3-D packing system. Finally, the algorithm is applied to modeling the PBR fuel loading configuration and the convergence performance at different packing fractions is presented. Results show that the QDM is efficient in packing pebbles within the realistic range of the packing fraction in PBRs, and it is capable in handling cylindrical geometry with packing fractions up to 63.5%. (authors)

  9. Dynamical modeling procedure of a Li-ion battery pack suitable for real-time applications

    International Nuclear Information System (INIS)

    Castano, S.; Gauchia, L.; Voncila, E.; Sanz, J.

    2015-01-01

    Highlights: • Dynamical modeling of a 50 A h battery pack composed of 56 cells. • Detailed analysis of SOC tests at realistic performance range imposed by BMS. • We propose an electrical circuit that improves how the battery capacity is modeled. • The model is validated in the SOC range using a real-time experimental setup. - Abstract: This paper presents the modeling of a 50 A h battery pack composed of 56 cells, taking into account real battery performance conditions imposed by the BMS control. The modeling procedure starts with a detailed analysis of experimental charge and discharge SOC tests. Results from these tests are used to obtain the battery model parameters at a realistic performance range (20–80% SOC). The model topology aims to better describe the finite charge contained in a battery pack. The model has been validated at three different SOC values in order to verify the model response at real battery pack operation conditions. The validation tests show that the battery pack model is able to simulate the real battery response with excellent accuracy in the range tested. The proposed modeling procedure is fully applicable to any Li-ion battery pack, regardless of the number of series or parallel cells or its rated capacity

  10. Are artificial opals non-close-packed fcc structures?

    Science.gov (United States)

    García-Santamaría, F.; Braun, P. V.

    2007-06-01

    The authors report a simple experimental method to accurately measure the volume fraction of artificial opals. The results are modeled using several methods, and they find that some of the most common yield very inaccurate results. Both finite size and substrate effects play an important role in calculations of the volume fraction. The experimental results show that the interstitial pore volume is 4%-15% larger than expected for close-packed structures. Consequently, calculations performed in previous work relating the amount of material synthesized in the opal interstices with the optical properties may need revision, especially in the case of high refractive index materials.

  11. 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.

  12. 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.

  13. 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.)

  14. 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....

  15. Fabrication of Photonic Crystal Structures on Flexible Organic Light-Emitting Diodes by Using Nano-Imprint and PDMS Mold

    Directory of Open Access Journals (Sweden)

    Ho Ting-Lin

    2016-01-01

    Full Text Available In this paper, nanoimprint lithography was used to create a photonic crystals structure film in organic light-emitting diode (OLED component, and then compare the efficiency of components whether with nanostructure or not. By using two different kinds of mold, such as silicon mold and PDMS mold, the nano structures in PMMA (molecular weight of 350K were fabricated. Nanostructures in period of 403.53nm with silicon mold and nano structures in period of 385.64nm with PDMS mold as photonic crystal films were fabricated and were integrated into OLED. In experimental results, the OLED without photonic crystal films (with packing behaves 193.3cd/m2 for luminous intensity, 3.481cd/A for lightening efficiency (ηL and 0.781 lm/W for lightening power (ηP where V is 14V and I is 5.5537mA; the OLED with photonic crystal films (with packing behaves 241.6cd/m2 for luminous intensity, 4.173cd/A for lightening efficiency (ηL and 0.936 lm/W for lightening power (ηP where voltage of 14V and current (I of 5.7891mA, which shows that the latter perform is well.

  16. Crystallization of low saturated lipid blends of palm and canola oils with sorbitan monostearate and fully hydrogenated palm oil.

    Science.gov (United States)

    Barbosa, Karina Martins; Cardoso, Lisandro Pavie; Ribeiro, Ana Paula Badan; Kieckbusch, Theo Guenter; Buscato, Monise Helen Masuchi

    2018-03-01

    Several scientific investigations have focused on providing new strategies for supporting the development of low saturated and zero trans lipid materials, as healthier fat alternatives for food application. This work evaluated the consistency, crystallization behavior, microstructure and polymorphism of six blends composed of palm and canola oils at different concentrations (100:0, 80:20, 60:40, 40:60, 20:80 and 0:100, in w/w%) added with 5.0% of fully hydrogenated palm oil (FHPO) or with a mixture of 2.5% of FHPO and 2.5% of sorbitan monostearate (SMS). The results were compared with the non-structured blends (standard samples). Through microstructure images, the formation of a more homogeneous and denser packed crystal network was observed for samples added with both crystallization modifiers (FHPO/SMS) compared to the corresponding standard samples, after stabilization at 25 °C during 3 h. In particular, enhanced crystallization modifications were observed for the 40:60 blend, in which the crystal form β' emerged after the addition of FHPO/SMS. Moreover, the 40:60 blend structured with FHPO/SMS showed increased consistency (from 30 to 658 g F /cm 2 ) and induced onset crystallization in a higher temperature (from 13.1 to 23.9 °C) compared with the non-structured one, due to the specific crystallization effects provided by both added structurants.

  17. 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...

  18. 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. ...

  19. 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...

  20. 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...

  1. 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

  2. 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...

  3. 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...

  4. 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...

  5. 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.

  6. Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

    Energy Technology Data Exchange (ETDEWEB)

    Wei Gu; Garcia, A.E.; Schoenborn, B.P. [Los Alamos National Laboratory, NM (United States)

    1994-12-31

    Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies.

  7. Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

    International Nuclear Information System (INIS)

    Wei Gu; Garcia, A.E.; Schoenborn, B.P.

    1994-01-01

    Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies

  8. Show-Bix &

    DEFF Research Database (Denmark)

    2014-01-01

    The anti-reenactment 'Show-Bix &' consists of 5 dias projectors, a dial phone, quintophonic sound, and interactive elements. A responsive interface will enable the Dias projectors to show copies of original dias slides from the Show-Bix piece ”March på Stedet”, 265 images in total. The copies are...

  9. Comparative elimination of dimethyl disulfide by maifanite and ceramic-packed biotrickling filters and their response to microbial community.

    Science.gov (United States)

    Chen, Xuequan; Liang, Zhishu; An, Taicheng; Li, Guiying

    2016-02-01

    Unpleasant odor emissions have traditionally occupied an important role in environmental concern. In this paper, twin biotrickling filters (BTFs) packed with different packing materials, seeded with Bacillus cereus GIGAN2, were successfully constructed to purify gaseous dimethyl disulfide (DMDS). The maifanite-packed BTF showed superior biodegradation capability to the ceramic-packed counterpart in terms of removal efficiency and elimination capacity under similar conditions. At an empty bed residence time of 123 s, 100% of DMDS could be removed by maifanite-packed BTF when DMDS inlet concentration was below 0.41 g m(-3). To achieve same effect, the inlet concentration must be lower than 0.25 g m(-3) for ceramic-packed BTF. The bacterial communities analyses found higher relative abundance of GIGAN2 in the maifanite-packed BTF, suggesting that maifanite is more suitable for GIGAN2 immobilization and for subsequent DMDS removal. This work indicates maifanite is a promising packing material for real odorous gases purification. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. 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.

  11. 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...

  12. 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

  13. 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.

  14. Effect of structural packing on the luminescence properties in tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Yin Xin; Shi Liu [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Wei Ang, E-mail: iamawei@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays, 9 Wenyuan Road, Nanjing 210046 (China); Wan Dongyun; Wang Yaoming [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Huang Fuqiang, E-mail: huangfq@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructures and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2012-08-15

    Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) were successfully synthesized, and the luminescence properties were investigated. Among the three compounds, Ca{sub 2}KNb{sub 5}O{sub 15} showed an obviously broad band of host luminescence at 460 nm with exciting at 269 nm. By doping Eu{sup 3+} into the M sites, Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} displayed strong red emission from Eu{sup 3+} ions characteristic transitions, nearly four times higher than Sr{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} and seven times higher than Ba{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+}. Crystal packing factor (PF) was introduced to account for this luminescence difference, lower PF being correlated to higher luminescence intensity for perovskite-related structure. Both the as-prepared compounds and the literature examples were proved to fit this correlation. This can be explained through the influence of the structural packing on the environment distortion and crystal field splitting of the doping site. - Graphical abstract: Tungsten bronze compounds M{sub 2}KNb{sub 5}O{sub 15} (M=Ca, Sr, Ba) show the dependence of luminescence properties on structural packing, among which Ca{sub 2}KNb{sub 5}O{sub 15} has the superior luminescence. Highlights: Black-Right-Pointing-Pointer Tungsten bronze compounds were synthesized by solid state reaction. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15} displayed remarkably blue host luminescence. Black-Right-Pointing-Pointer Ca{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} showed more intense red emission than M{sub 2}KNb{sub 5}O{sub 15}:Eu{sup 3+} (M=Sr, Ba). Black-Right-Pointing-Pointer The relationship between crystal packing factor and luminescence was obtained.

  15. Implicit motivational impact of pictorial health warning on cigarette packs.

    Directory of Open Access Journals (Sweden)

    Eliane Volchan

    Full Text Available OBJECTIVE: The use of pictorial warning labels on cigarette packages is one of the provisions included in the first ever global health treaty by the World Health Organization against the tobacco epidemic. There is substantial evidence demonstrating the effectiveness of graphic health warning labels on intention to quit, thoughts about health risks and engaging in cessation behaviors. However, studies that address the implicit emotional drives evoked by such warnings are still underexplored. Here, we provide experimental data for the use of pictorial health warnings as a reliable strategy for tobacco control. METHODS: Experiment 1 pre-tested nineteen prototypes of pictorial warnings to screen for their emotional impact. Participants (n = 338 were young adults balanced in gender, smoking status and education. Experiment 2 (n = 63 tested pictorial warnings (ten that were stamped on packs. We employed an innovative set-up to investigate the impact of the warnings on the ordinary attitude of packs' manipulation, and quantified judgments of warnings' emotional strength and efficacy against smoking. FINDINGS: Experiment 1 revealed that women judged the warning prototypes as more aversive than men, and smokers judged them more aversive than non-smokers. Participants with lower education judged the prototypes more aversive than participants with higher education. Experiment 2 showed that stamped warnings antagonized the appeal of the brands by imposing a cost to manipulate the cigarette packs, especially for smokers. Additionally, participants' judgments revealed that the more aversive a warning, the more it is perceived as effective against smoking. CONCLUSIONS: Health warning labels are one of the key components of the integrated approach to control the global tobacco epidemic. The evidence presented in this study adds to the understanding of how implicit responses to pictorial warnings may contribute to behavioral change.

  16. 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.

  17. 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

  18. 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.

  19. Interaction between Proppant Packing, Reservoir Depletion, and Fluid Flow in Pore Space

    Science.gov (United States)

    Fan, M.; McClure, J. E.; Han, Y.; Chen, C.

    2016-12-01

    In the oil and gas industry, the performance of proppant pack in hydraulically created fractures has a significant influence on fracture conductivity. A better understanding of proppant transport and deposition pattern in a hydraulic fracture is vital for effective and economical production within oil and gas reservoirs. In this research, a numerical modeling approach, combining Particle Flow Code (PFC) and GPU-enhanced lattice Boltzmann simulator (GELBS), is adopted to advance the understanding of the interaction between proppant particle packing, depletion of reservoir formation, and transport of reservoir flow through the pore space. In this numerical work flow, PFC is used to simulate effective stress increase and proppant particle movement and rearrangement under increasing mechanical loading. The pore structure of the proppant pack evolves subsequently and the geometrical data are output for lattice Boltzmann (LB) simulation of proppant pack permeability. Three different proppant packs with fixed particle concentration and 12/18, 16/30, and 20/40 mesh sizes are generated. These proppant packs are compressed with specified loading stress and their subsequent geometries are used for fluid flow simulations. The simulation results are in good agreement with experimental observations, e.g., the conductivity of proppant packs decreases with increasing effective stress. Three proppant packs with the same average diameter were generated using different coefficients of variation (COVs) for the proppant diameter (namely cov5%, cov20%, and cov30%). By using the coupled PFC-LBM work flow, the proppant pack permeability as functions of effective stress and porosity is investigated. The results show that the proppant pack with a higher proppant diameter COV has lower permeability and porosity under the same effective stress, because smaller particles fill in the pore space between bigger particles. The relationship between porosity and permeability is also consistent with

  20. 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

  1. Hypersonic phononic crystals.

    Science.gov (United States)

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  2. Influence of palmitic acid and hexadecanol on the phase transition temperature and molecular packing of dipalmitoylphosphatidyl-choline monolayers at the air-water interface

    Science.gov (United States)

    Lee, Ka Yee C.; Gopal, Ajaykumar; von Nahmen, Anja; Zasadzinski, Joseph A.; Majewski, Jaroslaw; Smith, Gregory S.; Howes, Paul B.; Kjaer, Kristian

    2002-01-01

    Palmitic acid (PA) and 1-hexadecanol (HD) strongly affect the phase transition temperature and molecular packing of dipalmitoylphosphatidylcholine (DPPC) monolayers at the air-water interface. The phase behavior and morphology of mixed DPPC/PA as well as DPPC/HD monolayers were determined by pressure-area-isotherms and fluorescence microscopy. The molecular organization was probed by synchrotron grazing incidence x-ray diffraction using a liquid surface diffractometer. Addition of PA or HD to DPPC monolayers increases the temperature of the liquid-expanded to condensed phase transition. X-ray diffraction shows that DPPC forms mixed crystals both with PA and HD over a wide range of mixing ratios. At a surface pressure (π) of 40 mN/m, increasing the amount of the single chain surfactant leads to a reduction in tilt angle of the aliphatic chains from nearly 30° for pure DPPC to almost 0° in a 1:1 molar ratio of DPPC and PA or HD. At this composition we also find closest packing of the aliphatic chains. Further increase of the amount of PA or HD does not change the lattice or the tilt.

  3. 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

  4. A theoretical study on pure bending of hexagonal close-packed metal sheet

    Science.gov (United States)

    Mehrabi, Hamed; Yang, Chunhui

    2018-05-01

    Hexagonal close-packed (HCP) metals have quite different mechanical behaviours in comparison to conventional cubic metals such as steels and aluminum alloys [1, 2]. They exhibit a significant tension-compression asymmetry in initial yielding and subsequent plastic hardening. The reason for this unique behaviour can be attributed to their limited symmetric crystal structure, which leads to twining deformation [3-5]. This unique behaviour strongly influences sheet metal forming of such metals, especially for roll forming, in which the bending is dominant. Hence, it is crucial to represent constitutive relations of HCP metals for accurate estimation of bending moment-curvature behaviours. In this paper, an analytical model for asymmetric elastoplastic pure bending with an application of Cazacu-Barlat asymmetric yield function [6] is presented. This yield function considers the asymmetrical tension-compression behaviour of HCP metals by using second and third invariants of the stress deviator tensor and a specified constant, which can be expressed in terms of uniaxial yield stresses in tension and compression. As a case study, the analytical model is applied to predict the moment-curvature behaviours of AZ31B magnesium alloy sheets under uniaxial loading condition. Furthermore, the analytical model is implemented as a user-defined material through the UMAT interface in Abaqus [7, 8] for conducting pure bending simulations. The results show that the analytical model can reasonably capture the asymmetric tension-compression behaviour of the magnesium alloy. The predicted moment-curvature behaviour has good agreement with the experimental results. Furthermore, numerical results show a better accuracy by the application of the Cazacu-Barlat yield function than those using the von-Mises yield function, which are more conservative than analytical results.

  5. Talking with TV shows

    DEFF Research Database (Denmark)

    Sandvik, Kjetil; Laursen, Ditte

    2014-01-01

    User interaction with radio and television programmes is not a new thing. However, with new cross-media production concepts such as X Factor and Voice, this is changing dramatically. The second-screen logic of these productions encourages viewers, along with TV’s traditional one-way communication...... mode, to communicate on interactive (dialogue-enabling) devices such as laptops, smartphones and tablets. Using the TV show Voice as our example, this article shows how the technological and situational set-up of the production invites viewers to engage in new ways of interaction and communication...

  6. Airborne asbestos exposures associated with gasket and packing replacement: a simulation study and meta-analysis.

    Science.gov (United States)

    Madl, Amy K; Hollins, Dana M; Devlin, Kathryn D; Donovan, Ellen P; Dopart, Pamela J; Scott, Paul K; Perez, Angela L

    2014-08-01

    Exposures to airborne asbestos during the removal and installation of internal gaskets and packing associated with a valve overhaul were characterized and compared to published data according to different variables (e.g., product, equipment, task, tool, setting, duration). Personal breathing zone and area samples were collected during twelve events simulating gasket and packing replacement, clean-up and clothing handling. These samples were analyzed using PCM and TEM methods and PCM-equivalent (PCME) airborne asbestos concentrations were calculated. A meta-analysis was performed to compare these data with airborne asbestos concentrations measured in other studies involving gaskets and packing. Short-term mechanic and assistant airborne asbestos concentrations during valve work averaged 0.013f/cc and 0.008f/cc (PCME), respectively. Area samples averaged 0.008f/cc, 0.005f/cc, and 0.003f/cc (PCME) for center, bystander, and remote background, respectively. Assuming a tradesman conservatively performs 1-3 gasket and/or packing replacements daily, an average 8-h TWA was estimated to be 0.002-0.010f/cc (PCME). Combining these results in a meta-analysis of the published exposure data showed that the majority of airborne asbestos exposures during work with gaskets and packing fall within a consistent and low range. Significant differences in airborne concentrations were observed between power versus manual tools and removal versus installation tasks. Airborne asbestos concentrations resulting from gasket and packing work during a valve overhaul are consistent with historical exposure data on replacement of asbestos-containing gasket and packing materials involving multiple variables and, in nearly all plausible scenarios, result in average airborne asbestos concentrations below contemporaneous occupational exposure limits for asbestos. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. Numerical Simulation and Experimental Study on Temperature Distribution of Self-Lubricating Packing Rings in Reciprocating Compressors

    Directory of Open Access Journals (Sweden)

    Jia Xiaohan

    2016-01-01

    Full Text Available The nonuniform abrasion failure and high-temperature thermal failure of packing rings have a significant influence on compressor reliability, particularly that of oil-free compressors. In this study, a test rig was constructed to measure the dynamic temperature of packing rings under different operational conditions in an oil-free reciprocating compressor. The dynamic axial and radial temperature distributions of the packing rings were obtained using an innovative internal temperature testing device that kept the thermocouples and packing box relatively static during compressor operation. A three-dimensional heat transfer model was also developed to analyze the temperature distribution of the packing boxes, piston rod, and cylinder during such operation. Good agreement was observed between the simulation results and experimental data, which showed an average relative error of less than 2.35%. The results indicate that the pressure ratio exerts a significant effect on the axial temperature distribution and determines which packing ring reaches the maximum temperature. They also show the average temperature to rise with an increase in the rotational speed and to fall with an improvement in the external cooling conditions. Finally, the material of the packing rings was found to affect the temperature gradient from their inner to outer surface.

  8. Talk Show Science.

    Science.gov (United States)

    Moore, Mitzi Ruth

    1992-01-01

    Proposes having students perform skits in which they play the roles of the science concepts they are trying to understand. Provides the dialog for a skit in which hot and cold gas molecules are interviewed on a talk show to study how these properties affect wind, rain, and other weather phenomena. (MDH)

  9. Obesity in show cats.

    Science.gov (United States)

    Corbee, R J

    2014-12-01

    Obesity is an important disease with a high prevalence in cats. Because obesity is related to several other diseases, it is important to identify the population at risk. Several risk factors for obesity have been described in the literature. A higher incidence of obesity in certain cat breeds has been suggested. The aim of this study was to determine whether obesity occurs more often in certain breeds. The second aim was to relate the increased prevalence of obesity in certain breeds to the official standards of that breed. To this end, 268 cats of 22 different breeds investigated by determining their body condition score (BCS) on a nine-point scale by inspection and palpation, at two different cat shows. Overall, 45.5% of the show cats had a BCS > 5, and 4.5% of the show cats had a BCS > 7. There were significant differences between breeds, which could be related to the breed standards. Most overweight and obese cats were in the neutered group. It warrants firm discussions with breeders and cat show judges to come to different interpretations of the standards in order to prevent overweight conditions in certain breeds from being the standard of beauty. Neutering predisposes for obesity and requires early nutritional intervention to prevent obese conditions. Journal of Animal Physiology and Animal Nutrition © 2014 Blackwell Verlag GmbH.

  10. Honored Teacher Shows Commitment.

    Science.gov (United States)

    Ratte, Kathy

    1987-01-01

    Part of the acceptance speech of the 1985 National Council for the Social Studies Teacher of the Year, this article describes the censorship experience of this honored social studies teacher. The incident involved the showing of a videotape version of the feature film entitled "The Seduction of Joe Tynan." (JDH)

  11. Stress Transmission in Granular Packings: Localization and Cooperative Response

    Science.gov (United States)

    Ramola, Kabir

    We develop a framework for stress transmission in two dimensional granular media that respects vector force balance at the microscopic level. For a packing of grains interacting via pairwise contact forces, we introduce local gauge degrees of freedom that determine the response of the system to external perturbations. This allows us to construct unique force-balanced solutions that determine the change in contact forces as a response to external stress. By mapping this response to diffusion in the underlying contact network, we show that this naturally leads to spatial localization of forces. We present numerical evidence for stress localization using exact diagonalization studies of network Laplacians associated with soft disk packings. We use this formalism to characterize the deviation from elastic behaviour as the amount of disorder in the underlying network is varied. We discuss generalizations to systems with large friction between grains and other networks that display topological disorder. This work has been supported by NSF-DMR 1409093 and the W. M. Keck Foundation.

  12. The energy show

    International Nuclear Information System (INIS)

    1988-01-01

    The Energy Show is a new look at the problems of world energy, where our supplies come from, now and in the future. The programme looks at how we need energy to maintain our standards of living. Energy supply is shown as the complicated set of problems it is - that Fossil Fuels are both raw materials and energy sources, that some 'alternatives' so readily suggested as practical options are in reality a long way from being effective. (author)

  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. Dissolved oxygen removal in a column packed with catalyst

    International Nuclear Information System (INIS)

    Lee, Han Soo; Chung, Hong Suk; Cho, Young Hyun; Ahn, Do Hee; Kim, Eun Kee

    1996-01-01

    The dissolved oxygen removed by H 2 -O 2 reaction in column packed with various catalysts was examined. The catalysts employed were the prepared polymeric catalyst, platinum on activated carbon, and Lewatit OC-1045 which is available commercially. The column experiments with the prepared polymeric catalyst showed the dissolved oxygen reduced to 35 ppb which is below the limit in feel water of power plants. This implies the likely application of the prepared catalyst for practical use. The activated carbon required the pre-treatment for the removed of dissolved oxygen, since the surface of activated carbon contains much oxygen adsorbed initially. The Lewatit catalyst exposed the best performance, however, the aged one showed the gradual loss of catalytic activity due to degradation of resin catalyst. 14 refs., 6 figs., 2 tabs. (author)

  15. Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker

    Directory of Open Access Journals (Sweden)

    Yunlong Si

    2016-12-01

    Full Text Available Galectin-8 (Gal-8 plays a significant role in normal immunological function as well as in cancer. This lectin contains two carbohydrate recognition domains (CRD connected by a peptide linker. The N-terminal CRD determines ligand binding specificity, whereas the linker has been proposed to regulate overall Gal-8 function, including multimerization and biological activity. Here, we crystallized the Gal-8 N-terminal CRD with the peptide linker using a crystallization condition that contains Ni2+. The Ni2+ ion was found to be complexed between two CRDs via crystal packing contacts. The coordination between Ni2+ and Asp25 plays an indirect role in determining the structure of β-strand F0 and in influencing the linker conformation which could not be defined due to its dynamic nature. The linker was also shortened in situ and crystallized under a different condition, leading to a higher resolution structure refined to 1.08 Å. This crystal structure allowed definition of a short portion of the linker interacting with the Gal-8 N-terminal tail via ionic interactions and hydrogen bonds. Observation of two Gal-8 N-terminal CRD structures implies that the N-terminal tail and the linker may influence each other’s conformation. In addition, under specific crystallization conditions, glycerol could replace lactose and was observed at the carbohydrate binding site. However, glycerol did not show inhibition activity in hemagglutination assay.

  16. Multi-Objective Predictive Balancing Control of Battery Packs Based on Predictive Current

    Directory of Open Access Journals (Sweden)

    Wenbiao Li

    2016-04-01

    Full Text Available Various balancing topology and control methods have been proposed for the inconsistency problem of battery packs. However, these strategies only focus on a single objective, ignore the mutual interaction among various factors and are only based on the external performance of the battery pack inconsistency, such as voltage balancing and state of charge (SOC balancing. To solve these problems, multi-objective predictive balancing control (MOPBC based on predictive current is proposed in this paper, namely, in the driving process of an electric vehicle, using predictive control to predict the battery pack output current the next time. Based on this information, the impact of the battery pack temperature caused by the output current can be obtained. Then, the influence is added to the battery pack balancing control, which makes the present degradation, temperature, and SOC imbalance achieve balance automatically due to the change of the output current the next moment. According to MOPBC, the simulation model of the balancing circuit is built with four cells in Matlab/Simulink. The simulation results show that MOPBC is not only better than the other traditional balancing control strategies but also reduces the energy loss in the balancing process.

  17. An Efficient and Packing-Resilient Two-Phase Android Cloned Application Detection Approach

    Directory of Open Access Journals (Sweden)

    Fang Lyu

    2017-01-01

    Full Text Available The huge benefit of mobile application industry has attracted a large number of developers and attendant attackers. Application repackaging provides help for the distribution of most Android malware. It is a serious threat to the entire Android ecosystem, as it not only compromises the security and privacy of the app users but also plunders app developers’ income. Although massive approaches have been proposed to address this issue, plagiarists try to fight back through packing their malicious code with the help of commercial packers. Previous works either do not consider the packing issue or rely on time-consuming computations, which are not scalable for large-scale real-world scenario. In this paper, we propose FUIDroid, a novel two-phase app clones detection system that can detect the packed cloned app. FUIDroid includes a function-based fast selection phase to quickly select suspicious apps by analyzing apps’ description and a further UI-based accurate detection phase to refine the detection result. We evaluate our system on two sets of apps. The result from experiment on 320 packed samples demonstrates that FUIDroid is resilient to packed apps. The evaluation on more than 150,000 real-world apps shows the efficiency of FUIDroid in large-scale scenario.

  18. Continuous thermophilic biohydrogen production in packed bed reactor

    International Nuclear Information System (INIS)

    Roy, Shantonu; Vishnuvardhan, M.; Das, Debabrata

    2014-01-01

    Highlights: • Continuous H 2 production in whole cell immobilized system was compared with CSTR. • Suitability of environment friendly support matrix for immobilization of whole cells was explored. • Pack bed reactor showed higher stability as compared to CSTR at lower HRTs. • Flow cytometry study showed the influence of recycle ratio on viability of cells. • Novel approach to find out the effect of NADH/NAD + ratio during H 2 production. - Abstract: The present research work deals with the performance of packed bed reactor for continuous H 2 production using cane molasses as a carbon source. Maximum H 2 production rate of 1.7 L L −1 h −1 was observed at a dilution rate and recycle ratio of 0.8 h −1 and 0.6, respectively which was corresponding to the lowest NADH/NAD + ratio. This suggests that the utilization of NADH pool for H 2 and metabolite production might lead to decrement in NADH/NAD + ratio. Thus NADH/NAD + ratio show inverse relation with hydrogen production. The substrate degradation kinetics was investigated as a function of flow rate considering the external film diffusion model. At a flow rate of 245 mL h −1 , the contribution of external film mass transfer coefficient and first order substrate degradation constant were 55.4% and 44.6% respectively. Recycle ratio of 0.6 improved the hydrogen production rates by 9%. The viable cell count was directly proportional to the recycle ratio (within the range 0.1–0.6). Taguchi design showed the significant influence of the feed pH on continuous H 2 production followed by dilution rate and recycle ratio. Thus environmentally friendly and cheaper solid matrix like coconut coir could be efficiently used for thermophilic continuous hydrogen production

  19. Coordination chemistry and bioactivity of Ni2+, Cu2+, and Zn2+ complexes containing a bidentate NS ligand, β-N-phenyldithiocarbazic acid, and the crystal structure of β-hydroxy-β-phenylmethylene α-phenylimine

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Ahmed Faizal Shamsuddin; Grouse, Karen A.; Yamin, B.M.; Ali, A.M.; Fun, H.-K.

    2003-07-01

    A bidentate ligand (PhDTCH) with NS donor sequence was prepared from the reaction between carbon disulfide and phenylhydrazine in ethanol. Complexes of this ligand with Ni(II), Cu(II) and Zn(II) were synthesized and characterized by elemental analyses, and various physicochemical techniques. The metal complexes were all four coordinated. In an attempt to resolve the crystal structure of PhDTCH, an ethanolic solution, after leaving for a few days gave bright crystals of PhD6, β-hydroxy-β-phenylmethylene α-phenylimine, the crystal structure of which has been resolved. The crystal packing indicated that it is monoclinic with a space group of P21/n. All of the compounds were tested against different bacteria and fungi, and also against leukemic cell lines. All of the compounds showed weak biological properties compared to standard drugs. (author)

  20. 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)

  1. Predicted crystal structures of molybdenum under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bing; Zhang, Guang Biao [Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 (China); Wang, Yuan Xu, E-mail: wangyx@henu.edu.cn [Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 (China); Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang 550018 (China)

    2013-04-15

    Highlights: ► A double-hexagonal close-packed (dhcp) structure of molybdenum is predicted. ► Calculated acoustic velocity confirms the bcc–dhcp phase transition at 660 GPa. ► The valence electrons of dhcp Mo are mostly localized in the interstitial sites. -- Abstract: The high-pressure structures of molybdenum (Mo) at zero temperature have been extensively explored through the newly developed particle swarm optimization (PSO) algorithm on crystal structural prediction. All the experimental and earlier theoretical structures were successfully reproduced in certain pressure ranges, validating our methodology in application to Mo. A double-hexagonal close-packed (dhcp) structure found by Mikhaylushkin et al. (2008) [12] is confirmed by the present PSO calculations. The lattice parameters and physical properties of the dhcp phase were investigated based on first principles calculations. The phase transition occurs only from bcc phase to dhcp phase at 660 GPa and at zero temperature. The calculated acoustic velocities also indicate a transition from the bcc to dhcp phases for Mo. More intriguingly, the calculated density of states (DOS) shows that the dhcp structure remains metallic. The calculated electron density difference (EDD) reveals that its valence electrons are localized in the interstitial regions.

  2. 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.

  3. Limited indications of tax stamp discordance and counterfeiting on cigarette packs purchased in tobacco retailers, 97 counties, USA, 2012.

    Science.gov (United States)

    Lee, Joseph G L; Golden, Shelley D; Ribisl, Kurt M

    2017-12-01

    Increasing the per-unit cost of tobacco products is one of the strongest interventions for tobacco control. In jurisdictions with higher taxes in the U.S., however, cigarette pack litter studies show a substantial proportion of littered packs lack the appropriate tax stamp. More limited but still present counterfeiting also exists. We sought to examine the role of tobacco retailers as a source for untaxed and counterfeit products. Data collectors purchased Newport Green (menthol) or Marlboro Red cigarette packs in a national probability-based sample of tobacco retailers (in 97 counties) from June-October 2012. They made no effort to buy counterfeit or untaxed cigarettes. In this cross-sectional study, we assessed the presence, tax authority, and type (low-tech thermal vs. encrypted) of cigarette pack tax stamps; concordance of tax stamps with where the pack was purchased; and, for Marlboro cigarettes, publicly available visible indicators of counterfeiting. We purchased 2147 packs of which 2033 had tax stamps. Packs missing stamps were in states that do not require them. We found very limited discordance between store location and tax stamp(s) (tax stamps (13%). This occurred entirely with low-tech tax stamps and was not identified with encrypted tax stamps. We found no clear evidence of counterfeit products. Almost all tax stamps matched the location of purchase. Litter studies may be picking up legal tax avoidance instead of illegal tax evasion or, alternatively, purchase of illicit products requires special request by the purchaser.

  4. Micro-fabricated packed gas chromatography column based on laser etching technology.

    Science.gov (United States)

    Sun, J H; Guan, F Y; Zhu, X F; Ning, Z W; Ma, T J; Liu, J H; Deng, T

    2016-01-15

    In this work, a micro packed gas chromatograph column integrated with a micro heater was fabricated by using laser etching technology (LET) for analyzing environmental gases. LET is a powerful tool to etch deep well-shaped channels on the glass wafer, and it is the most effective way to increase depth of channels. The fabricated packed GC column with a length of over 1.6m, to our best knowledge, which is the longest so far. In addition, the fabricated column with a rectangular cross section of 1.2mm (depth) × 0.6mm (width) has a large aspect ratio of 2:1. The results show that the fabricated packed column had a large sample capacity, achieved a separation efficiency of about 5800 plates/m and eluted highly symmetrical Gaussian peaks. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Rheology of three-dimensional packings of aggregates: microstructure and effects of nonconvexity.

    Science.gov (United States)

    Azéma, Emilien; Radjaï, Farhang; Saint-Cyr, Baptiste; Delenne, Jean-Yves; Sornay, Philippe

    2013-05-01

    We use three-dimensional contact dynamics simulations to analyze the rheological properties of granular materials composed of rigid aggregates. The aggregates are made from four overlapping spheres and described by a nonconvexity parameter depending on the relative positions of the spheres. The macroscopic and microstructural properties of several sheared packings are analyzed as a function of the degree of nonconvexity of the aggregates. We find that the internal angle of friction increases with the nonconvexity. In contrast, the packing fraction first increases to a maximum value but declines as the nonconvexity increases further. At a high level of nonconvexity, the packings are looser but show a higher shear strength. At the microscopic scale, the fabric and force anisotropy, as well as the friction mobilization, are enhanced by multiple contacts between aggregates and interlocking, thus revealings the mechanical and geometrical origins of shear strength.

  6. 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...

  7. Assessment of pack animal welfare in and around Bareilly city of India

    Directory of Open Access Journals (Sweden)

    Probhakar Biswas

    2013-12-01

    Full Text Available Aim: To assess the welfare of pack animal: Pony, Horse, Mule and Donkey in and around Bareilly city. Materials and Methods: The present study was carried out in Bareilly city and Izatnagar area of Bareilly district of Uttar Pradesh in the year 2009. Representative sample of 100 pack animal owners were selected to get the information regarding various social, personal and economic attributes of the pack animal. Further during interviewing different health and behavior pattern of animals was keenly examined. Analysis has been done as per standard procedures. Results: Most of the pack animal owners (98% were aware of the freedom from hunger and thirst. Majority of respondents (96, 93, 81 & 85 percent were aware of freedom from injury and disease, pain and discomfort, to express normal behavior and adequate space and freedom from fear and distress. Respondents (85% believed that they themselves were responsible for the welfare of the animals. Most of the owners (48.8% employed their animals for work for 9-10 hrs with rest (96.5% in between work and most (88.3% indulged into beating to compel the animals to work. All pregnant animals were put to work in the first two trimesters of pregnancy. Upon physical examination, pack animals showed abnormality in eyes (49%, abnormality in gait (40% and limb deformity (39%. Most animals (75% had tether lesions and 34 percent animals avoided or were aggressive to observer. Majority (74.1% of the owners housed their animals in a part of their own residence with improper drainage and cleaning. Most of the owners (82% consulted Veterinary doctors for treatment and believed in allopathic medicine (57%. Vaccination was not carried out on most (96% of the animals. All the animals were feed green fodder but practice of supplementation of minerals to animals was only among 11 percent owners. Conclusions: Present findings provide baseline information on welfare activities followed by pack animal owners and status of pack

  8. Formation and oxidation resistance of NbSi2 coatings on niobium by pack cementation

    International Nuclear Information System (INIS)

    Li Ming; Song Lixin; Le Jun; Zhang Xiaowei; Pei Baogen; Hu Xingfang

    2005-01-01

    NbSi 2 coatings were formed on niobium by halide-activated pack cementation process. The as-coated niobium samples were oxidized in air up to 1723 K by thermogravimetry method. The surface and cross-sectional morphology, phase composition and element distribution of the NbSi 2 coatings before and after oxidation were characterized by SEM, XRD and EPMA. The results show that the as-formed coatings consist of single phase of hexagonal NbSi 2 and the oxidation resistance of pure niobium can be greatly improved by pack siliconizing. (orig.)

  9. Influences of chemical packing and the chemical composition in porcelain sintering: from theory to practice

    International Nuclear Information System (INIS)

    Conceicao, E.S.; Gouvea, D.; Romano, R.C.O.; Pileggi, R.G.

    2011-01-01

    Studies have been conducted using the size distribution particles as a tool to obtain maximum packing in porcelain bodies. However, little attention has been given for the maximum size of particles and its effect in the sintering. While some particles are relatively large (63 μ m) for some oxides in the porcelain composition, they could compromise the sintering if a liquid phase is formed during heat processing. In this work, a comparative analysis showed that compositions with a maximum green packing density does not always lead to a maximum final densification in sintering if there is no control of the maximum size of the particles. (author)

  10. Showing Value (Editorial

    Directory of Open Access Journals (Sweden)

    Denise Koufogiannakis

    2009-06-01

    Full Text Available When Su Cleyle and I first decided to start Evidence Based Library and Information Practice, one of the things we agreed upon immediately was that the journal be open access. We knew that a major obstacle to librarians using the research literature was that they did not have access to the research literature. Although Su and I are both academic librarians who can access a wide variety of library and information literature from our institutions, we belong to a profession where not everyone has equal access to the research in our field. Without such access to our own body of literature, how can we ever hope for practitioners to use research evidence in their decision making? It would have been contradictory to the principles of evidence based library and information practice to do otherwise.One of the specific groups we thought could use such an open access venue for discovering research literature was school librarians. School librarians are often isolated and lacking access to the research literature that may help them prove to stakeholders the importance of their libraries and their role within schools. Certainly, school libraries have been in decline and the use of evidence to show value is needed. As Ken Haycock noted in his 2003 report, The Crisis in Canada’s School Libraries: The Case for Reform and Reinvestment, “Across the country, teacher-librarians are losing their jobs or being reassigned. Collections are becoming depleted owing to budget cuts. Some principals believe that in the age of the Internet and the classroom workstation, the school library is an artifact” (9. Within this context, school librarians are looking to our research literature for evidence of the impact that school library programs have on learning outcomes and student success. They are integrating that evidence into their practice, and reflecting upon what can be improved locally. They are focusing on students and showing the impact of school libraries and

  11. Accelerated carbonation of steelmaking slags in a high-gravity rotating packed bed

    International Nuclear Information System (INIS)

    Chang, E-E; Pan, Shu-Yuan; Chen, Yi-Hung; Tan, Chung-Sung; Chiang, Pen-Chi

    2012-01-01

    Highlights: ► The carbonation conversion in a RPB was higher than that in traditional reactors. ► The optimum conditions were operated at 750 rpm and 65 °C for 30 min. ► The product on BOF slag was identified as crystallized calcite based on SEM and XRD. ► The diffusivity ranged from 10 −7 to 10 −6 cm 2 s −1 based on the shrinking core model. - Abstract: Carbon dioxide (CO 2 ) sequestration using the accelerated carbonation of basic oxygen furnace (BOF) slag in a high-gravity rotating packed bed (RPB) under various operational conditions was investigated. The effects of reaction time, reaction temperature, rotation speed and slurry flow rate on the CO 2 sequestration process were evaluated. The samples of reacted slurry were analyzed quantitatively using thermogravimetric analysis (TGA) and atomic absorption spectrometry (AAS) and qualitatively using X-ray diffraction (XRD), scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX), and transmission electron microscopy (TEM). The sequestration experiments were performed at a liquid-to-solid ratio of 20:1 with a flow rate of 2.5 L min −1 of a pure CO 2 stream under atmospheric temperature and pressure. The results show that a maximum conversion of BOF slag was 93.5% at a reaction time of 30 min and a rotation speed of 750 rpm at 65 °C. The experimental data were utilized to determine the rate-limiting mechanism based on the shrinking core model (SCM), which was validated by the observations of SEM and TEM. Accelerated carbonation in a RPB was confirmed to be a viable method due to its higher mass-transfer rate.

  12. 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.

  13. 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.

  14. Bipolarons in nonmetallic crystals

    International Nuclear Information System (INIS)

    Vinetskii, V.L.; Pashitskii, E.A.; Yanchuk, V.A.

    1987-01-01

    The binding energy of a bipolaron in an ionic crystal increases substantially in the case of strong anisotropy of the effective masses of the free carriers of the easy plane type or easy axis type. In the second case the polaron is cigar-like in shape and the coaxial configuration of bipolarons is energetically favorable. In this case a significant gain in the binding energy and in the width of the region of existence of the bipolaron, with respect to the dielectric constant and the magnitude of the electron-phonon interaction constant, compared with an isotropic crystal, is obtained only for quasi-two-dimensional, or layered, and quasi-one-dimensional, or chainlike, crystals. This work shows that a significant gain in the binding energy can be obtained by taking into account the anisotropy of the dielectric constant of the crystal and localization of the electron wave functions in directions perpendicular to the layers and chains of atoms

  15. Liquid Crystal Colloids

    Science.gov (United States)

    Smalyukh, Ivan I.

    2018-03-01

    Colloids are abundant in nature, science, and technology, with examples ranging from milk to quantum dots and the colloidal atom paradigm. Similarly, liquid crystal ordering is important in contexts ranging from biological membranes to laboratory models of cosmic strings and liquid crystal displays in consumer devices. Some of the most exciting recent developments in both of these soft matter fields emerge at their interface, in the fast-growing research arena of liquid crystal colloids. Mesoscale self-assembly in such systems may lead to artificial materials and to structures with emergent physical behavior arising from patterning of molecular order and nano- or microparticles into precisely controlled configurations. Liquid crystal colloids show exceptional promise for new discovery that may impinge on composite material fabrication, low-dimensional topology, photonics, and so on. Starting from physical underpinnings, I review the state of the art in this fast-growing field, with a focus on its scientific and technological potential.

  16. 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 ...

  17. 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.

  18. Application of Nanofiber-packed SPE for Determination of Urinary 1-Hydroxypyrene Level Using HPLC.

    Science.gov (United States)

    Ifegwu, Okechukwu Clinton; Anyakora, Chimezie; Chigome, Samuel; Torto, Nelson

    2014-01-01

    It is always desirable to achieve maximum sample clean-up, extraction, and pre-concentration with the minimum possible organic solvent. The miniaturization of sample preparation devices was successfully demonstrated by packing 10 mg of 11 electrospun polymer nanofibers into pipette tip micro column and mini disc cartridges for efficient pre-concentration of 1-hydroxypyrene in urine samples. 1-hydroxypyrene is an extensively studied biomarker of the largest class of chemical carcinogens. Excretory 1-hydroxypyrene was monitored with HPLC/fluorescence detector. Important parameters influencing the percentage recovery such as fiber diameter, fiber packing amount, eluent, fiber packing format, eluent volume, surface area, porosity, and breakthrough parameters were thoroughly studied and optimized. Under optimized condition, there was a near perfect linearity of response in the range of 1-1000 μg/L with a coefficient of determination (r (2)) between 0.9992 and 0.9999 and precision (% RSD) ≤7.64% (n = 6) for all the analysis (10, 25, and 50 μg/L). The Limit of detection (LOD) was between 0.022 and 0.15 μg/L. When compared to the batch studies, both disc packed nanofiber sorbents and pipette tip packed sorbents exhibited evident dominance based on their efficiencies. The experimental results showed comparable absolute recoveries for the mini disc packed fibers (84% for Nylon 6) and micro columns (80% for Nylon 6), although the disc displayed slightly higher recoveries possibly due to the exposure of the analyte to a larger reacting surface. The results also showed highly comparative extraction efficiencies between the nanofibers and conventional C-18 SPE sorbent. Nevertheless, miniaturized SPE devices simplified sample preparation, reducing back pressure, time of the analysis with acceptable reliability, selectivity, detection levels, and environmental friendliness, hence promoting green chemistry.

  19. 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...

  20. 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.

  1. 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.

  2. 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.

  3. 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…

  4. A parametric study pf powder holdups in a packed bed under ...

    African Journals Online (AJOL)

    More specifically, a parametric study is performed to determine the effects of the gas blast velocity, particle size adn powder loading on the powder holdups. Results are presented in terms of fines accumulation area. This work shows the dependency of the powder holdups on the packed bed flow parameters. Keywords: ...

  5. Influence of particle packing density on the rheology of low cement content concrete

    NARCIS (Netherlands)

    Fennis-Huijben, S.A.A.M.; Grunewald, S.; Walraven, J.C.; Den Uijl, J.A.

    2012-01-01

    Optimizing concrete mixtures with regard to cement content is one of the most important solutions in sustainable concrete design. Workability o f these low cement content or ecological mixtures is very important. Eleven mortar mixtures are presented, which show how a higher packing density can be

  6. Structural coloration of chitosan-cationized cotton fabric using photonic crystals

    Science.gov (United States)

    Yavuz, G.; Zille, A.; Seventekin, N.; Souto, A. P.

    2017-10-01

    In this work, poly (styrene-methyl methacrylate-acrylic acid) P(St-MMA-AA) composite nanospheres were deposited onto chitosan-cationized woven cotton fabrics followed by a second layer of chitosan. The deposited photonic crystals (PCs) on the fabrics were evaluated for coating efficiency and resistance, chemical analysis and color variation by optical and SEM microscopy, ATR-FTIR, diffuse reflectance spectroscopy and washing fastness. Chitosan deposition on cotton fabric provided cationic groups on the fiber surface promoting electrostatic interaction with photonic crystals. SEM images of the washed samples indicate that the PCs are firmly coated on the cotton surface only in the chitosan treated sample. The photonic nanospheres show an average diameter of 280 nm and display a face-centered cubic closepacking structure with an average thickness of 10 μm. A further chitosan post-treatment enhances color yield of the samples due to the chitosan transparent covering layer that induce bright reflections where the angles of incidence and reflection are the same. After washing, no photonic crystal can be detected on control fabric surface. However, the sample that received a chitosan post-treatment showed a good washing fastness maintaining a reasonable degree of iridescence. Chitosan fills the spaces between the polymer spheres in the matrix stabilizing the photonic structure. Sizeable variations in lattice spacing will allow color variations using more flexible non-close-packed photonic crystal arrays in chitosan hydrogels matrices.

  7. FT-IR, FT-Raman, and DFT computational studies of melaminium nitrate molecular-ionic crystal

    Science.gov (United States)

    Tanak, Hasan; Marchewka, Mariusz K.

    2013-02-01

    The experimental and theoretical vibrational spectra of melaminium nitrate were studied. The Raman and infrared (FT-IR) spectra of the melaminium nitrate and its deuterated analogue were recorded in the solid phase. Molecular geometry and vibrational frequency values of melaminium nitrate in the electronic ground state were calculated using the density functional method (B3LYP) with the 6-31++G(d,p) basis set. The calculated results show that the optimized geometry can well reproduce the crystal structure, and the theoretical vibrational frequency values show good agreement with experimental values. The NBO analysis reveals that the N-H···O and N-H···N intermolecular interactions significantly influence crystal packing in this molecule.

  8. Severe complication of posterior nasal packing: Case Report

    Directory of Open Access Journals (Sweden)

    Pinto, José Antônio

    2012-01-01

    Full Text Available Introduction: Severe Epistaxis is common in patients with head trauma, especially when associated with multiple fractures of the face and skull base. Several methods of controlling bleeding that can be imposed. The anterior nasal tapenade associated with posterior Foley catheter is one of the most widespread, and the universal availability of necessary materials or their apparent ease of execution. Methods: Case report on control of severe epistaxis after severe TBI, with posterior nasal packing by Foley catheter and control tomography showing multiple fractures of the skull base and penetration of the probe into the brain parenchyma. Conclusion: This is a rare but possible complication in the treatment of severe nose bleeds associated with fracture of the skull base. This brief report highlights risks related to the method and suggests some care to prevent complications related through a brief literature review.

  9. Severe complication of posterior nasal packing: Case Report.

    Science.gov (United States)

    Pinto, José Antônio; Cintra, Pedro Paulo Vivacqua da Cunha; Sônego, Thiago Branco; Leal, Carolina de Farias Aires; Artico, Marina Spadari; Soares, Josemar Dos Santos

    2012-10-01

     Severe Epistaxis is common in patients with head trauma, especially when associated with multiple fractures of the face and skull base. Several methods of controlling bleeding that can be imposed. The anterior nasal tapenade associated with posterior Foley catheter is one of the most widespread, and the universal availability of necessary materials or their apparent ease of execution.  Case report on control of severe epistaxis after severe TBI, with posterior nasal packing by Foley catheter and control tomography showing multiple fractures of the skull base and penetration of the probe into the brain parenchyma.  This is a rare but possible complication in the treatment of severe nose bleeds associated with fracture of the skull base. This brief report highlights risks related to the method and suggests some care to prevent complications related through a brief literature review.

  10. Numerical study on hygroscopic material drying in packed bed

    Directory of Open Access Journals (Sweden)

    M. Stakić

    2011-06-01

    Full Text Available The paper addresses numerical simulation for the case of convective drying of hygroscopic material in a packed bed, analyzing agreement between the simulated and the corresponding experimental results. In the simulation model of unsteady simultaneous one-dimensional heat and mass transfer between gas phase and dried material, it is assumed that the gas-solid interface is at thermodynamic equilibrium, while the drying rate of the specific product is calculated by applying the concept of a "drying coefficient". Model validation was done on the basis of the experimental data obtained with potato cubes. The obtained drying kinetics, both experimental and numerical, show that higher gas (drying agent velocities (flow-rates, as well as lower equivalent grain diameters, induce faster drying. This effect is more pronounced for deeper beds, because of the larger amount of wet material to be dried using the same drying agent capacity.

  11. Expression, purification, crystallization, and preliminary X-ray crystallographic analysis of OXA-17, an extended-spectrum {beta}-lactamase conferring severe antibiotic resistance

    Energy Technology Data Exchange (ETDEWEB)

    Lee, J. H., E-mail: msgjhlee@mju.ac.kr; Sohn, S. G., E-mail: sgsohn@mju.ac.kr; Jung, H. I., E-mail: jhinumber1@hanmail.net; An, Y. J., E-mail: anyj0120@hanmail.net; Lee, S. H., E-mail: sangheelee@mju.ac.kr [Myongji University, Drug Resistance Proteomics Laboratory, Department of Biological Sciences (Korea, Republic of)

    2013-07-15

    OXA-17, an extended-spectrum {beta}-lactamase (ESBL) conferring severe antibiotic resistance, hydrolytically inactivates {beta}-lactam antibiotics, inducing a lack of eradication of pathogenic bacteria by oxyimino {beta}-lactams and not helping hospital infection control. Thus, the enzyme is a potential target for developing antimicrobial agents against pathogens producing ESBLs. OXA-17 was purified and crystallized at 298 K. X-ray diffraction data from OXA-17 crystal have been collected to 1.85 A resolution using synchrotron radiation. The crystal of OXA-17 belongs to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 48.37, b = 101.12, and c = 126.07 A. Analysis of the packing density shows that the asymmetric unit probably contains two molecules with a solvent content of 54.6%.

  12. Expression, purification, crystallization, and preliminary X-ray crystallographic analysis of OXA-17, an extended-spectrum β-lactamase conferring severe antibiotic resistance

    International Nuclear Information System (INIS)

    Lee, J. H.; Sohn, S. G.; Jung, H. I.; An, Y. J.; Lee, S. H.

    2013-01-01

    OXA-17, an extended-spectrum β-lactamase (ESBL) conferring severe antibiotic resistance, hydrolytically inactivates β-lactam antibiotics, inducing a lack of eradication of pathogenic bacteria by oxyimino β-lactams and not helping hospital infection control. Thus, the enzyme is a potential target for developing antimicrobial agents against pathogens producing ESBLs. OXA-17 was purified and crystallized at 298 K. X-ray diffraction data from OXA-17 crystal have been collected to 1.85 Å resolution using synchrotron radiation. The crystal of OXA-17 belongs to space group P2 1 2 1 2 1 , with unit-cell parameters a = 48.37, b = 101.12, and c = 126.07 Å. Analysis of the packing density shows that the asymmetric unit probably contains two molecules with a solvent content of 54.6%

  13. Hopper Growth of Salt Crystals.

    Science.gov (United States)

    Desarnaud, Julie; Derluyn, Hannelore; Carmeliet, Jan; Bonn, Daniel; Shahidzadeh, Noushine

    2018-06-07

    The growth of hopper crystals is observed for many substances, but the mechanism of their formation remains ill understood. Here we investigate their growth by performing evaporation experiments on small volumes of salt solutions. We show that sodium chloride crystals that grow very fast from a highly supersaturated solution form a peculiar form of hopper crystal consisting of a series of connected miniature versions of the original cubic crystal. The transition between cubic and such hopper growth happens at a well-defined supersaturation where the growth rate of the cubic crystal reaches a maximum (∼6.5 ± 1.8 μm/s). Above this threshold, the growth rate varies as the third power of supersaturation, showing that a new mechanism, controlled by the maximum speed of surface integration of new molecules, induces the hopper growth of cubic crystals in cascade.

  14. NONLINEAR OPTICAL MOLECULAR CRYSTAL BASED ON 2,6-DIAMINOPYRIDINE: SYNTHESIS AND CHARACTERIZATION

    Directory of Open Access Journals (Sweden)

    I. M. Pavlovetc

    2014-05-01

    Full Text Available The paper deals with investigation of a new nonlinear optical material based on nonlinear optical chromophore (4-Nitrophenol and aminopyridine (2,6-Diaminopyridine. Calculation results are presented for molecular packing in the crystalline compound, based on the given components. According to these results the finite material must have a noncentrosymmetric lattice, which determines the presence of the second order nonlinear optical response. Investigations carried out in this work confirm these calculations. Results of experiments are given describing the co-crystallization of these components and the following re-crystallization of the obtained material. In order to get a monocrystal form, the optimal conditions for the synthesis of molecular crystals based on these components are determined. Sufficiently large homogeneous crystals are obtained, that gave the possibility to record their spectra in the visible and near infrared parts of the spectrum, to determine their nonlinear optical properties and the level of homogeneity. Their optical (optical transmission and optical laser damage threshold and nonlinear optical properties are presented. For observation and measurement of the nonlinear optical properties an installation was built which implements the comparative method for measurements of nonlinear optical properties. A potassium titanyl oxide phosphate crystal was used as a sample for comparison. Results are given for the conversion efficiency of the primary laser radiation in the second optical harmonic relative to the signal obtained on the potassium titanyl oxide phosphate crystal. Obtained results show that the molecular co-crystal based on 2,6-Diaminopyridine is a promising nonlinear optical material for generating the second optical harmonic on the Nd: YAG laser (532 nm.

  15. Multi-Pack Disposal Concepts for Spent Fuel (Revision 1)

    International Nuclear Information System (INIS)

    Hardin, Ernest; Matteo, Edward N.; Hadgu, Teklu

    2016-01-01

    At the initiation of the Used Fuel Disposition (UFD) R&D campaign, international geologic disposal programs and past work in the U.S. were surveyed to identify viable disposal concepts for crystalline, clay/shale, and salt host media. Concepts for disposal of commercial spent nuclear fuel (SNF) and high-level waste (HLW) from reprocessing are relatively advanced in countries such as Finland, France, and Sweden. The UFD work quickly showed that these international concepts are all "enclosed,"whereby waste packages are emplaced in direct or close contact with natural or engineered materials . Alternative "open"modes (emplacement tunnels are kept open after emplacement for extended ventilation) have been limited to the Yucca Mountain License Application Design. Thermal analysis showed that if "enclosed"concepts are constrained by peak package/buffer temperature, that waste package capacity is limited to 4 PWR assemblies (or 9 BWR) in all media except salt. This information motivated separate studies: 1) extend the peak temperature tolerance of backfill materials, which is ongoing; and 2) develop small canisters (up to 4-PWR size) that can be grouped in larger multi-pack units for convenience of storage, transportation, and possibly disposal (should the disposal concept permit larger packages). A recent result from the second line of investigation is the Task Order 18 report: Generic Design for Small Standardized Transportation, Aging and Disposal Canister Systems. This report identifies disposal concepts for the small canisters (4-PWR size) drawing heavily on previous work, and for the multi-pack (16-PWR or 36-BWR).

  16. Multi-pack Disposal Concepts for Spent Fuel (Rev. 0)

    Energy Technology Data Exchange (ETDEWEB)

    Hadgu, Teklu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hardin, Ernest [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Matteo, Edward N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-12-01

    At the initiation of the Used Fuel Disposition (UFD) R&D campaign, international geologic disposal programs and past work in the U.S. were surveyed to identify viable disposal concepts for crystalline, clay/shale, and salt host media (Hardin et al., 2012). Concepts for disposal of commercial spent nuclear fuel (SNF) and high-level waste (HLW) from reprocessing are relatively advanced in countries such as Finland, France, and Sweden. The UFD work quickly showed that these international concepts are all “enclosed,” whereby waste packages are emplaced in direct or close contact with natural or engineered materials . Alternative “open” modes (emplacement tunnels are kept open after emplacement for extended ventilation) have been limited to the Yucca Mountain License Application Design (CRWMS M&O, 1999). Thermal analysis showed that, if “enclosed” concepts are constrained by peak package/buffer temperature, waste package capacity is limited to 4 PWR assemblies (or 9-BWR) in all media except salt. This information motivated separate studies: 1) extend the peak temperature tolerance of backfill materials, which is ongoing; and 2) develop small canisters (up to 4-PWR size) that can be grouped in larger multi-pack units for convenience of storage, transportation, and possibly disposal (should the disposal concept permit larger packages). A recent result from the second line of investigation is the Task Order 18 report: Generic Design for Small Standardized Transportation, Aging and Disposal Canister Systems (EnergySolution, 2015). This report identifies disposal concepts for the small canisters (4-PWR size) drawing heavily on previous work, and for the multi-pack (16-PWR or 36-BWR).

  17. Multi-Pack Disposal Concepts for Spent Fuel (Revision 1)

    Energy Technology Data Exchange (ETDEWEB)

    Hardin, Ernest [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Matteo, Edward N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hadgu, Teklu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    At the initiation of the Used Fuel Disposition (UFD) R&D campaign, international geologic disposal programs and past work in the U.S. were surveyed to identify viable disposal concepts for crystalline, clay/shale, and salt host media. Concepts for disposal of commercial spent nuclear fuel (SNF) and high-level waste (HLW) from reprocessing are relatively advanced in countries such as Finland, France, and Sweden. The UFD work quickly showed that these international concepts are all “enclosed,” whereby waste packages are emplaced in direct or close contact with natural or engineered materials . Alternative “open” modes (emplacement tunnels are kept open after emplacement for extended ventilation) have been limited to the Yucca Mountain License Application Design. Thermal analysis showed that if “enclosed” concepts are constrained by peak package/buffer temperature, that waste package capacity is limited to 4 PWR assemblies (or 9 BWR) in all media except salt. This information motivated separate studies: 1) extend the peak temperature tolerance of backfill materials, which is ongoing; and 2) develop small canisters (up to 4-PWR size) that can be grouped in larger multi-pack units for convenience of storage, transportation, and possibly disposal (should the disposal concept permit larger packages). A recent result from the second line of investigation is the Task Order 18 report: Generic Design for Small Standardized Transportation, Aging and Disposal Canister Systems. This report identifies disposal concepts for the small canisters (4-PWR size) drawing heavily on previous work, and for the multi-pack (16-PWR or 36-BWR).

  18. 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.

  19. 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

  20. Carotenoid stoichiometry in the LH2 crystal: no spectral evidence for the presence of the second molecule in the alpha/beta-apoprotein dimer.

    Science.gov (United States)

    Gall, Andrew; Gardiner, Alastair T; Cogdell, Richard J; Robert, Bruno

    2006-07-10

    In this work we have investigated the carotenoid-protein interactions in LH2 complexes of Rhodopseudomonas acidophila both in "free in solution" mixed-micelles and in three-dimensional crystals by Raman spectroscopy in resonance with the carotenoid (Car) molecules. We show that the Car molecules when bound to their binding pockets show no significant differences when the complexes are "free in solution" or packed in crystalline arrays. Furthermore, there is no significant wavelength dependence in the Raman spectrum of the Car molecules of LH2. This indicates that there is only one Car configuration in LH2 and thus only one molecule per alpha/beta-heterodimer.

  1. 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, ...

  2. 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

  3. 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)

  4. 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

  5. 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

  6. 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.

  7. 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 ...

  8. 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

  9. 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...

  10. 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.

  11. 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.

  12. 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....

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. 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)

  18. Content-aware photo collage using circle packing.

    Science.gov (United States)

    Yu, Zongqiao; Lu, Lin; Guo, Yanwen; Fan, Rongfei; Liu, Mingming; Wang, Wenping

    2014-02-01

    In this paper, we present a novel approach for automatically creating the photo collage that assembles the interest regions of a given group of images naturally. Previous methods on photo collage are generally built upon a well-defined optimization framework, which computes all the geometric parameters and layer indices for input photos on the given canvas by optimizing a unified objective function. The complex nonlinear form of optimization function limits their scalability and efficiency. From the geometric point of view, we recast the generation of collage as a region partition problem such that each image is displayed in its corresponding region partitioned from the canvas. The core of this is an efficient power-diagram-based circle packing algorithm that arranges a series of circles assigned to input photos compactly in the given canvas. To favor important photos, the circles are associated with image importances determined by an image ranking process. A heuristic search process is developed to ensure that salient information of each photo is displayed in the polygonal area resulting from circle packing. With our new formulation, each factor influencing the state of a photo is optimized in an independent stage, and computation of the optimal states for neighboring photos are completely decoupled. This improves the scalability of collage results and ensures their diversity. We also devise a saliency-based image fusion scheme to generate seamless compositive collage. Our approach can generate the collages on nonrectangular canvases and supports interactive collage that allows the user to refine collage results according to his/her personal preferences. We conduct extensive experiments and show the superiority of our algorithm by comparing against previous methods.

  19. Implicit Motivational Impact of Pictorial Health Warning on Cigarette Packs

    Science.gov (United States)

    Volchan, Eliane; David, Isabel A.; Tavares, Gisella; Nascimento, Billy M.; Oliveira, Jose M.; Gleiser, Sonia; Szklo, Andre; Perez, Cristina; Cavalcante, Tania; Pereira, Mirtes G.; Oliveira, Leticia

    2013-01-01

    Objective The use of pictorial warning labels on cigarette packages is one of the provisions included in the first ever global health treaty by the World Health Organization against the tobacco epidemic. There is substantial evidence demonstrating the effectiveness of graphic health warning labels on intention to quit, thoughts about health risks and engaging in cessation behaviors. However, studies that address the implicit emotional drives evoked by such warnings are still underexplored. Here, we provide experimental data for the use of pictorial health warnings as a reliable strategy for tobacco control. Methods Experiment 1 pre-tested nineteen prototypes of pictorial warnings to screen for their emotional impact. Participants (n = 338) were young adults balanced in gender, smoking status and education. Experiment 2 (n = 63) tested pictorial warnings (ten) that were stamped on packs. We employed an innovative set-up to investigate the impact of the warnings on the ordinary attitude of packs’ manipulation, and quantified judgments of warnings’ emotional strength and efficacy against smoking. Findings Experiment 1 revealed that women judged the warning prototypes as more aversive than men, and smokers judged them more aversive than non-smokers. Participants with lower education judged the prototypes more aversive than participants with higher education. Experiment 2 showed that stamped warnings antagonized the appeal of the brands by imposing a cost to manipulate the cigarette packs, especially for smokers. Additionally, participants’ judgments revealed that the more aversive a warning, the more it is perceived as effective against smoking. Conclusions Health warning labels are one of the key components of the integrated approach to control the global tobacco epidemic. The evidence presented in this study adds to the understanding of how implicit responses to pictorial warnings may contribute to behavioral change. PMID:23977223

  20. 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.

  1. Impurity concentration behaviors in a boiling tubesheet crevice Part II. Packed crevice

    International Nuclear Information System (INIS)

    Bahn, Chi Bum; Oh, Si Hyoung; Park, Byung Gi; Hwang, Il Soon; Rhee, In Hyoung; Kim, Uh Chul; Na, Jung Won

    2003-01-01

    The impurity concentration behavior of a boiling crevice packed with magnetite particles was investigated with thermocouples and electrodes for the measurement of temperature and electrochemical corrosion potential (ECP), respectively, in order to understand chemical change in a pressurized water reactor (PWR) steam generator (SG) crevice. A secondary solution composed of 50 ppm Na and 200 ppb hydrogen was supplied at a flow rate of about 4 l/h. Sodium hydroxide (NaOH) concentration process in the crevice and the resultant boiling point elevation behavior were characterized with temperature and ECP data. The temperature in the packed crevice was about 2-3 deg. C higher than that for the open crevice. In the same conditions, the magnetite-packed crevice showed a greater amount of boiling point elevation with a longer time to reach a steady state compared with the case of an open crevice. It was found that the bottom region of the crevice was initially filled with steam, and then the concentrated liquid region initially located at the middle of crevice expanded to both the crevice bottom and the upper region. To analytically estimate the wetted length, a closed form model was introduced. The model results estimated the initial wetted length shorter as compared with the measurement results. Measured ECP results of packed crevice showed similar behaviors as compared with calculated results by using Nernst equation. ECP results reasonably coincided with the boiling point elevation estimated from the temperature data except one unusual case

  2. Long-term operational studies of lab-scale pumice-woodchip packed stormwater biofilters.

    Science.gov (United States)

    Cheng, Jing; Yuan, Qingke; Kim, Youngchul

    2017-06-13

    The performance of three pumice-woodchip packed stormwater biofilter (PWSWBF) systems with three packing volume ratios of pumice to woodchip (1:2, 1:1 and 2:1) were compared. The results show that the PWSWBF system packed with a lower percentage of woodchip attained a higher removal efficiency of TCOD, TN, NH 4 -N and TP, whereas all three systems completely removed nitrate. The highest removal efficiencies for TCOD, TN, NH 4 -N, NO 3 -N and TP were 95%, 70%, 86%, 100% and 100%, respectively. In the biofilter with a lower percentage of woodchip, the pollutants that get removed through aerobic biological processes were removed more significantly, which is attributed to less oxygen depletion via woodchip decomposition, which is common under wet conditions. Nitrate was significantly removed via denitrification in all three systems, indicating that the woodchip that occupied one-third of the main media was sufficient for denitrification, and also that the oxygen condition inside the column was proper for denitrification to proceed. A smaller amount of woodchip as the packing material also mitigated the adverse effect of the release of organics from the media during the initial period. In addition, the system showed very good buffering capacity, in that the outflow pH was constant within the optimal range for microorganism growth.

  3. GENETIC DIVERSITY AMONG YERSINIA ENTEROCOLITICA ISOLATED FROM SEWAGE, RAW MILK AND PACKED FOODS

    Directory of Open Access Journals (Sweden)

    Shanmuga Priya Seshadhri

    2014-12-01

    Full Text Available A total of 90 isolates (40 from sewage, 30 from raw milk and 20 from packed foods collected to study the incidence of Yersinia enterocolitica. It was observed that 61 isolates (32 from sewage, 19 from raw milk and 10 from packed foods were found contaminated with the bacterium. All the isolated strains were confirmed to Yersinia enterocolitica, by using 16S rRNA PCR. Of 61 strains, only five strains (two from sewage and two from packed foods and one from raw milk were found to be the producers of haemolysin at 37 oC, while among the five strains only two strains from packed foods produced haemolysin at 28 oC. All the isolates showed resistance to amoxicillin and found sensitive to chloramphenicol. Seven strains were producer of High molecular weight proteins (HMWP. 53 strains have produced rough LPS, while the smooth LPS has been observed for 8 isolates. Eleven and six different profiles observed in outermembrane proteins and lipopolysaccaride respectively. Combined primer 1 and 2 RAPD-PCR dendogram shows eight different genotypic patterns.

  4. 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.

  5. 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....

  6. 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.

  7. 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.

  8. 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.)

  9. 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

  10. Spatial solitons in nonlinear photonic crystals

    DEFF Research Database (Denmark)

    Corney, Joel Frederick; Bang, Ole

    2000-01-01

    We study solitons in one-dimensional quadratic nonlinear photonic crystals with periodic linear and nonlinear susceptibilities. We show that such crystals support stable bright and dark solitons, even when the effective quadratic nonlinearity is zero.......We study solitons in one-dimensional quadratic nonlinear photonic crystals with periodic linear and nonlinear susceptibilities. We show that such crystals support stable bright and dark solitons, even when the effective quadratic nonlinearity is zero....

  11. 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.

  12. 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.

  13. 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.

  14. Inelastic energy loss in large angle scattering of Ar9+ ions from Au(1 1 1) crystal

    International Nuclear Information System (INIS)

    Pesic, Z.D.; Anton, J.; Bremer, J.H.; Hoffmann, V.; Stolterfoht, N.; Vikor, Gy.; Schuch, R.

    2003-01-01

    The azimuthal angle dependence of the energy loss in large-angle scattering of slow (v∼0.06 a.u.) Ar 9+ ions from a Au(1 1 1) single crystal was investigated. Regarding the kinematics of quasi-single collisions, the smallest energy loss is expected for the azimuthal orientations which correspond to the closest packed atomic row of the crystal. This agrees with the prediction of a trajectory simulation (Marlowe code), but the experimental results don't show such dependence. Thus, we discuss possible inelastic processes as image charge energy gain, electronic energy loss in close collision and the electronic energy loss in the interaction with the electron gas. The observed azimuthal dependence is explained by the change of the electronic stopping power due to the variation of effective electron density sampled by the projectile

  15. Limited indications of tax stamp discordance and counterfeiting on cigarette packs purchased in tobacco retailers, 97 counties, USA, 2012

    Directory of Open Access Journals (Sweden)

    Joseph G.L. Lee

    2017-12-01

    Full Text Available Increasing the per-unit cost of tobacco products is one of the strongest interventions for tobacco control. In jurisdictions with higher taxes in the U.S., however, cigarette pack litter studies show a substantial proportion of littered packs lack the appropriate tax stamp. More limited but still present counterfeiting also exists. We sought to examine the role of tobacco retailers as a source for untaxed and counterfeit products. Data collectors purchased Newport Green (menthol or Marlboro Red cigarette packs in a national probability-based sample of tobacco retailers (in 97 counties from June–October 2012. They made no effort to buy counterfeit or untaxed cigarettes. In this cross-sectional study, we assessed the presence, tax authority, and type (low-tech thermal vs. encrypted of cigarette pack tax stamps; concordance of tax stamps with where the pack was purchased; and, for Marlboro cigarettes, publicly available visible indicators of counterfeiting. We purchased 2147 packs of which 2033 had tax stamps. Packs missing stamps were in states that do not require them. We found very limited discordance between store location and tax stamp(s (<1%. However, a substantial minority of cigarette packs had damaged tax stamps (13%. This occurred entirely with low-tech tax stamps and was not identified with encrypted tax stamps. We found no clear evidence of counterfeit products. Almost all tax stamps matched the location of purchase. Litter studies may be picking up legal tax avoidance instead of illegal tax evasion or, alternatively, purchase of illicit products requires special request by the purchaser. Keywords: Taxes, Smoking, Tobacco products, Government regulation, Government

  16. Optimization of cooling and heat pump systems through interaction between PackCalc and BSim; Optimering af koele- og varmepumpeanlaeg gennem samspil mellem PackCalc og BSim

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, K. [Aalborg Univ., Statens Byggeforskningsinstitut (SBi), Hoersholm (Denmark); Olsen, Lars [Teknologisk Institut, Taastrup (Denmark); Barky, T. [Ramboell, Copenhagen (Denmark); Juel Skovrup, M. [IPU, Kgs. Lyngby (Denmark)

    2012-08-15

    The purpose of the project was: To develop a PC-tool, which can help show the economic consequences of different design of systems and choices of components and control strategy in relations to heat pump and air-conditioning systems in buildings. The tool should also assist in relating the economic consequences to the achieved indoor climate in the building. The resulting tool is a combination (and extension) of two previous existing tools: 1) Pack Calculation II for simulating refrigeration and heat pump systems. 2) BSim for detailed simulation of buildings. By combining the two tools it has been possible to: 3) Enable BSim users to get an insight in the economic and indoor climate consequences of their choice of technical system (heat pump and air-conditioning). 4) Enable PackCalc users to get a much more detailed overview - through BSim simulations - of the load situation when dimensioning refrigeration systems and heat pumps. (Author)

  17. Using crosslinkable diacetylene phospholipids to construct two-dimensional packed beds in supported lipid bilayer separation platforms

    Directory of Open Access Journals (Sweden)

    Shu-Kai Hu, Sheng-Wen Hsiao, Hsun-Yen Mao, Ya-Ming Chen, Yung Chang and Ling Chao

    2013-01-01

    Full Text Available Separating and purifying cell membrane-associated biomolecules has been a challenge owing to their amphiphilic property. Taking these species out of their native lipid membrane environment usually results in biomolecule degradation. One of the new directions is to use supported lipid bilayer (SLB platforms to separate the membrane species while they are protected in their native environment. Here we used a type of crosslinkable diacetylene phospholipids, diynePC (1,2-bis(10,12-tricosadiynoyl-sn-glycero-3-phosphocholine, as a packed material to create a 'two-dimensional (2D packed bed' in a SLB platform. After the diynePC SLB is exposed to UV light, some of the diynePC lipids in the SLB can crosslink and the non-crosslinked monomer lipids can be washed away, leaving a 2D porous solid matrix. We incorporated the lipid vesicle deposition method with a microfluidic device to pattern the location of the packed-bed region and the feed region with species to be separated in a SLB platform. Our atomic force microscopy result shows that the nano-scaled structure density of the '2D packed bed' can be tuned by the UV dose applied to the diynePC membrane. When the model membrane biomolecules were forced to transport through the packed-bed region, their concentration front velocities were found to decrease linearly with the UV dose, indicating the successful creation of packed obstacles in these 2D lipid membrane separation platforms.

  18. Characterizing AISI 1045 steel surface duplex-treated by alternating current field enhanced pack aluminizing and nitriding

    Science.gov (United States)

    Xie, Fei; Zhang, Ge; Pan, Jianwei

    2018-02-01

    Thin cases and long treating time are shortcomings of conventional duplex treatment of aluminizing followed by nitriding (DTAN). Alternating current field (ACF) enhanced DTAN was carried out on AISI 1045 steel by applying an ACF to treated samples and treating agents with a pair of electrodes for overcoming those shortcomings. By investigating cases' structures, phases, composition and hardness distributions of differently treated samples, preliminary studies were made on characterizations of the ACF enhanced duplex treatment to AISI 1045 steel. The results show that, with the help of the ACF, the surface Al-rich phase Al5Fe2 formed in conventional pack aluminizing can be easily avoided and the aluminizing process is dramatically promoted. The aluminizing case can be nitrided either with conventional pack nitriding or ACF enhanced pack nitriding. By applying ACF to pack nitriding, the diffusion of nitrogen into the aluminizing case is promoted. AlN, Fe2∼3N and solid solution of N in iron are efficiently formed as a result of reactions of N with the aluminizing case. A duplex treated case with an effective thickness of more than 170 μm can be obtained by the alternating current field enhanced 4 h pack aluminizing plus 4 h pack nitriding.

  19. 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.

  20. 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

  1. 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

  2. Impact of Australia's introduction of tobacco plain packs on adult smokers' pack-related perceptions and responses: results from a continuous tracking survey.

    Science.gov (United States)

    Dunlop, Sally M; Dobbins, Timothy; Young, Jane M; Perez, Donna; Currow, David C

    2014-12-18

    To investigate the impact of Australia's plain tobacco packaging policy on two stated purposes of the legislation--increasing the impact of health warnings and decreasing the promotional appeal of packaging--among adult smokers. Serial cross-sectional study with weekly telephone surveys (April 2006-May 2013). Interrupted time-series analyses using ARIMA modelling and linear regression models were used to investigate intervention effects. 15,745 adult smokers (aged 18 years and above) in New South Wales (NSW), Australia. Random selection of participants involved recruiting households using random digit dialling and selecting the nth oldest smoker for interview. The introduction of the legislation on 1 October 2012. Salience of tobacco pack health warnings, cognitive and emotional responses to warnings, avoidance of warnings, perceptions regarding one's cigarette pack. Adjusting for background trends, seasonality, antismoking advertising activity and cigarette costliness, results from ARIMA modelling showed that, 2-3 months after the introduction of the new packs, there was a significant increase in the absolute proportion of smokers having strong cognitive (9.8% increase, p=0.005), emotional (8.6% increase, p=0.01) and avoidant (9.8% increase, p=0.0005) responses to on-pack health warnings. Similarly, there was a significant increase in the proportion of smokers strongly disagreeing that the look of their cigarette pack is attractive (57.5% increase, p<0.0001), says something good about them (54.5% increase, p<0.0001), influences the brand they buy (40.6% increase, p<0.0001), makes their pack stand out (55.6% increase, p<0.0001), is fashionable (44.7% increase, p<0.0001) and matches their style (48.1% increase, p<0.0001). Changes in these outcomes were maintained 6 months postintervention. The introductory effects of the plain packaging legislation among adult smokers are consistent with the specific objectives of the legislation in regard to reducing

  3. Impact of Australia's introduction of tobacco plain packs on adult smokers’ pack-related perceptions and responses: results from a continuous tracking survey

    Science.gov (United States)

    Dunlop, Sally M; Dobbins, Timothy; Young, Jane M; Perez, Donna; Currow, David C

    2014-01-01

    Objectives To investigate the impact of Australia's plain tobacco packaging policy on two stated purposes of the legislation—increasing the impact of health warnings and decreasing the promotional appeal of packaging—among adult smokers. Design Serial cross-sectional study with weekly telephone surveys (April 2006–May 2013). Interrupted time-series analyses using ARIMA modelling and linear regression models were used to investigate intervention effects. Participants 15 745 adult smokers (aged 18 years and above) in New South Wales (NSW), Australia. Random selection of participants involved recruiting households using random digit dialling and selecting the nth oldest smoker for interview. Intervention The introduction of the legislation on 1 October 2012. Outcomes Salience of tobacco pack health warnings, cognitive and emotional responses to warnings, avoidance of warnings, perceptions regarding one's cigarette pack. Results Adjusting for background trends, seasonality, antismoking advertising activity and cigarette costliness, results from ARIMA modelling showed that, 2–3 months after the introduction of the new packs, there was a significant increase in the absolute proportion of smokers having strong cognitive (9.8% increase, p=0.005), emotional (8.6% increase, p=0.01) and avoidant (9.8% increase, p=0.0005) responses to on-pack health warnings. Similarly, there was a significant increase in the proportion of smokers strongly disagreeing that the look of their cigarette pack is attractive (57.5% increase, pbrand they buy (40.6% increase, p<0.0001), makes their pack stand out (55.6% increase, p<0.0001), is fashionable (44.7% increase, p<0.0001) and matches their style (48.1% increase, p<0.0001). Changes in these outcomes were maintained 6 months postintervention. Conclusions The introductory effects of the plain packaging legislation among adult smokers are consistent with the specific objectives of the legislation in regard to reducing promotional

  4. Expected packing density allows prediction of both amyloidogenic and disordered regions in protein chains

    Energy Technology Data Exchange (ETDEWEB)

    Galzitskaya, Oxana V; Garbuzynskiy, Sergiy O; Lobanov, Michail Yu [Institute of Protein Research, Russian Academy of Sciences, 142290, Pushchino, Moscow Region (Russian Federation)

    2007-07-18

    The determination of factors that influence conformational changes in proteins is very important for the identification of potentially amyloidogenic and disordered regions in polypeptide chains. In our work we introduce a new parameter, mean packing density, to detect both amyloidogenic and disordered regions in a protein sequence. It has been shown that regions with strong expected packing density are responsible for amyloid formation. Our predictions are consistent with known disease-related amyloidogenic regions for 9 of 12 amyloid-forming proteins and peptides in which the positions of amyloidogenic regions have been revealed experimentally. Our findings support the concept that the mechanism of formation of amyloid fibrils is similar for different peptides and proteins. Moreover, we have demonstrated that regions with weak expected packing density are responsible for the appearance of disordered regions. Our method has been tested on datasets of globular proteins and long disordered protein segments, and it shows improved performance over other widely used methods. Thus, we demonstrate that the expected packing density is a useful value for predicting both disordered and amyloidogenic regions of a protein based on sequence alone. Our results are important for understanding the structural characteristics of protein folding and misfolding.

  5. Chilled packing systems for fruit flies (Diptera: Tephritidae) in the sterile insect technique

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, Emilio; Escobar, Arseny; Bravo, Bigail; Montoya, Pablo [Instituto Interamericano de Cooperacion para la Agricultura (IICA), Chiapas (Mexico); Secretaria de Agricultura, Ganaderia, Desarrollo Rural, Pesca y Alimentacion (SAGARPA), Mexico, D.F. (Mexico). Programa Moscafrut

    2010-07-15

    We evaluated three packing systems (PARC boxes, 'GT' screen towers and 'MX' screen towers) for the emergence and sexual maturation of sterile fruit flies, at three adult fl y densities (1, 1.2 and 1.3 fly/cm 2) and three food types. At the lowest density, results showed no significant differences in the longevity and flight ability of adult Anastrepha ludens (Loew) and Anastrepha obliqua Macquart among the three packing systems. Higher densities resulted in a decrease in these parameters. In the evaluation of the three food types, no significant differences were found either on longevity or flight ability of A. ludens. However, the greatest longevity for both sexes A. obliqua was obtained with commercial powdered Mb and the mix of sugar, protein and corn starch on paper (SPCP) food types. The highest value for flight ability in A. obliqua males was obtained with powdered Mb and SPCP food types, and for females with Mb powdered food. Our data indicated that GT and MX screen tower packing systems are an alternative to the PARC boxes, since they were suitable for adult fl y sexual maturation without any harm to their longevity or flight ability. The tested foods were equivalent in both fruit fl y species, with the exception of the agar type for A. obliqua, which yielded the lowest biological parameters evaluated. Our results contribute to the application of new methods for the packing and release of sterile flies in large-scale programs. (author)

  6. The cigarette pack as image: new evidence from tobacco industry documents.

    Science.gov (United States)

    Wakefield, M; Morley, C; Horan, J K; Cummings, K M

    2002-03-01

    To gain an understanding of the role of pack design in tobacco marketing. A search of tobacco company document sites using a list of specified search terms was undertaken during November 2000 to July 2001. Documents show that, especially in the context of tighter restrictions on conventional avenues for tobacco marketing, tobacco companies view cigarette packaging as an integral component of marketing strategy and a vehicle for (a) creating significant in-store presence at the point of purchase, and (b) communicating brand image. Market testing results indicate that such imagery is so strong as to influence smoker's taste ratings of the same cigarettes when packaged differently. Documents also reveal the careful balancing act that companies have employed in using pack design and colour to communicate the impression of lower tar or milder cigarettes, while preserving perceived taste and "satisfaction". Systematic and extensive research is carried out by tobacco companies to ensure that cigarette packaging appeals to selected target groups, including young adults and women. Cigarette pack design is an important communication device for cigarette brands and acts as an advertising medium. Many smokers are misled by pack design into thinking that cigarettes may be "safer". There is a need to consider regulation of cigarette packaging.

  7. Chilled packing systems for fruit flies (Diptera: Tephritidae) in the sterile insect technique

    International Nuclear Information System (INIS)

    Hernandez, Emilio; Escobar, Arseny; Bravo, Bigail; Montoya, Pablo; Secretaria de Agricultura, Ganaderia, Desarrollo Rural, Pesca y Alimentacion

    2010-01-01

    We evaluated three packing systems (PARC boxes, 'GT' screen towers and 'MX' screen towers) for the emergence and sexual maturation of sterile fruit flies, at three adult fl y densities (1, 1.2 and 1.3 fly/cm 2) and three food types. At the lowest density, results showed no significant differences in the longevity and flight ability of adult Anastrepha ludens (Loew) and Anastrepha obliqua Macquart among the three packing systems. Higher densities resulted in a decrease in these parameters. In the evaluation of the three food types, no significant differences were found either on longevity or flight ability of A. ludens. However, the greatest longevity for both sexes A. obliqua was obtained with commercial powdered Mb and the mix of sugar, protein and corn starch on paper (SPCP) food types. The highest value for flight ability in A. obliqua males was obtained with powdered Mb and SPCP food types, and for females with Mb powdered food. Our data indicated that GT and MX screen tower packing systems are an alternative to the PARC boxes, since they were suitable for adult fl y sexual maturation without any harm to their longevity or flight ability. The tested foods were equivalent in both fruit fl y species, with the exception of the agar type for A. obliqua, which yielded the lowest biological parameters evaluated. Our results contribute to the application of new methods for the packing and release of sterile flies in large-scale programs. (author)

  8. Three versus five micrometer chlorinated polysaccharide-based packings in chiral capillary electrochromatography: performance evaluation.

    Science.gov (United States)

    Hendrickx, Ans; De Klerck, Katrijn; Mangelings, Debby; Clincke, Lies; Heyden, Yvan Vander

    2014-01-01

    In this study, a test set of 44 nonacidic compounds was analyzed on four 3 µm chlorinated polysaccharide-based chiral stationary phases with cellulose tris (3-chloro-4-methylphenylcarbamate) (Lux Cellulose-2®; LC2), amylose tris (5-chloro-2-methylphenylcarbamate) (Lux Amylose-2®, LA2), cellulose tris (4-chloro-3-methylphenylcarbamate) (Lux Cellulose-4®; LC4) and cellulose tris (3,5-dichlorophenylcarbamate) (Sepapak-5®, Sp5) as selectors. The analysis times, retention factors, efficiencies and enantioselectivities were compared with the results obtained on their 5 µm analogs. All 3 µm packings, except for LA2, individually separated more compounds than their 5 µm analogs. When the cumulative success rates on the 3 and 5 µm packings were considered, it was observed that they were similar for both particle sizes; the combination of three or four 5 µm columns separated one compound more from the considered test set than that of the same number of 3 µm columns. Furthermore, it was observed that the 3 and 5 µm packings showed some complementarity. Only four compounds were not separated on any of the columns, while the use of only either the 3 or 5 µm columns resulted in 10 and nine not-separated compounds, respectively. The analyses on 5 µm LC2 and Sp5 were faster than on their 3 µm analogs. For LC4 the 3 µm packing showed the shortest analysis times and diverse analysis times for both particle sizes were obtained on LA2. Furthermore, three out of four 3 µm packings, that is, LC2, LC4, and Sp5, were found to be more efficient than their 5 µm analogs. Copyright © 2013 John Wiley & Sons, Ltd.

  9. 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

  10. 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...

  11. Zinc oxide crystal whiskers as a novel sorbent for solid-phase extraction of flavonoids.

    Science.gov (United States)

    Wang, Licheng; Shangguan, Yangnan; Hou, Xiudan; Jia, Yong; Liu, Shujuan; Sun, Yingxin; Guo, Yong

    2017-08-15

    As a novel solid-phase extraction material, zinc oxide crystal whiskers were used to extract flavonoid compounds and showed good extraction abilities. X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy and surface area/pore volume characterized the sorbent. The zinc oxide was packed into a solid-phase extraction micro-column and its extraction ability was evaluated by four model flavonoid compounds. The sample loading and elution parameters were optimized and the zinc oxide based analytical method for flavonoids was established. It showed that the method has wide linearities from 1 to 150μg/L and low limits of detection at 0.25μg/L. The relative standard deviations of a single column repeatability and column to column reproducibility were less than 6.8% and 10.6%. Several real samples were analyzed by the established method and satisfactory results were obtained. The interactions between flavonoids and zinc oxide were calculated and proved to be from the Van der Waals' forces between the 4p and 5d orbitals from zinc atom and the neighboring π orbitals from flavonoid phenyl groups. Moreover, the zinc oxide crystal whiskers showed good stability and could be reused more than 50 times under the operation conditions. This work proves that the zinc oxide crystal whiskers are a good candidate for flavonoids enrichment. Copyright © 2017. Published by Elsevier B.V.

  12. Growth of single crystals of BaFe12O19 by solid state crystal growth

    International Nuclear Information System (INIS)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe 12 O 19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

  13. Crystallization of glycine with ultrasound

    DEFF Research Database (Denmark)

    Louhi-Kultanen, Marjatta; Karjalainen, Milja; Rantanen, Jukka

    2006-01-01

    Sonocrystallization has proved to be an efficient tool to influence the external appearance and structure of a crystalline product obtained by various crystallization methods. The present work focuses on high intensity sonocrystallization of glycine by varying amplitude of ultrasound with an ultr...... ultrasound power. This study also showed, the higher the ultrasound amplitude the smaller the crystals obtained.......Sonocrystallization has proved to be an efficient tool to influence the external appearance and structure of a crystalline product obtained by various crystallization methods. The present work focuses on high intensity sonocrystallization of glycine by varying amplitude of ultrasound...... with an ultrasound frequency of 20kHz at two temperature ranges 40-50 and 20-30 degrees C in a jacketed 250-ml cooling crystallizer equipped with a stirrer. The polymorph composition of the obtained crystals was analyzed with a temperature variable X-ray powder diffractometer (XRPD). XRPD results showed that...

  14. Breakthrough of toluene vapours in granular activated carbon filled packed bed reactor

    International Nuclear Information System (INIS)

    Mohan, N.; Kannan, G.K.; Upendra, S.; Subha, R.; Kumar, N.S.

    2009-01-01

    The objective of this research was to determine the toluene removal efficiency and breakthrough time using commercially available coconut shell-based granular activated carbon in packed bed reactor. To study the effect of toluene removal and break point time of the granular activated carbon (GAC), the parameters studied were bed lengths (2, 3, and 4 cm), concentrations (5, 10, and 15 mg l -1 ) and flow rates (20, 40, and 60 ml/min). The maximum percentage removal of 90% was achieved and the maximum carbon capacity for 5 mg l -1 of toluene, 60 ml/min flow rate and 3 cm bed length shows 607.14 mg/g. The results of dynamic adsorption in a packed bed were consistent with those of equilibrium adsorption by gravimetric method. The breakthrough time and quantity shows that GAC with appropriate surface area can be utilized for air cleaning filters. The result shows that the physisorption plays main role in toluene removal.

  15. 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)

  16. 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)

  17. 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

  18. 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.)

  19. 6-PACK programme to decrease fall injuries in acute hospitals: cluster randomised controlled trial.

    Science.gov (United States)

    Barker, Anna L; Morello, Renata T; Wolfe, Rory; Brand, Caroline A; Haines, Terry P; Hill, Keith D; Brauer, Sandra G; Botti, Mari; Cumming, Robert G; Livingston, Patricia M; Sherrington, Catherine; Zavarsek, Silva; Lindley, Richard I; Kamar, Jeannette

    2016-01-26

    To evaluate the effect of the 6-PACK programme on falls and fall injuries in acute wards. Cluster randomised controlled trial. Six Australian hospitals. All patients admitted to 24 acute wards during the trial period. Participating wards were randomly assigned to receive either the nurse led 6-PACK programme or usual care over 12 months. The 6-PACK programme included a fall risk tool and individualised use of one or more of six interventions: "falls alert" sign, supervision of patients in the bathroom, ensuring patients' walking aids are within reach, a toileting regimen, use of a low-low bed, and use of a bed/chair alarm. The co-primary outcomes were falls and fall injuries per 1000 occupied bed days. During the trial, 46 245 admissions to 16 medical and eight surgical wards occurred. As many people were admitted more than once, this represented 31 411 individual patients. Patients' characteristics and length of stay were similar for intervention and control wards. Use of 6-PACK programme components was higher on intervention wards than on control wards (incidence rate ratio 3.05, 95% confidence interval 2.14 to 4.34; Pcontrol wards. Positive changes in falls prevention practice occurred following the introduction of the 6-PACK programme. However, no difference was seen in falls or fall injuries between groups. High quality evidence showing the effectiveness of falls prevention interventions in acute wards remains absent. Novel solutions to the problem of in-hospital falls are urgently needed. Australian New Zealand Clinical Trials Registry ACTRN12611000332921. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

  20. Multiple and dependent scattering by densely packed discrete spheres: Comparison of radiative transfer and Maxwell theory

    International Nuclear Information System (INIS)

    Ma, L.X.; Tan, J.Y.; Zhao, J.M.; Wang, F.Q.; Wang, C.A.

    2017-01-01

    The radiative transfer equation (RTE) has been widely used to deal with multiple scattering of light by sparsely and randomly distributed discrete particles. However, for densely packed particles, the RTE becomes questionable due to strong dependent scattering effects. This paper examines the accuracy of RTE by comparing with the exact electromagnetic theory. For an imaginary spherical volume filled with randomly distributed, densely packed spheres, the RTE is solved by the Monte Carlo method combined with the Percus–Yevick hard model to consider the dependent scattering effect, while the electromagnetic calculation is based on the multi-sphere superposition T-matrix method. The Mueller matrix elements of the system with different size parameters and volume fractions of spheres are obtained using both methods. The results verify that the RTE fails to deal with the systems with a high-volume fraction due to the dependent scattering effects. Apart from the effects of forward interference scattering and coherent backscattering, the Percus–Yevick hard sphere model shows good accuracy in accounting for the far-field interference effects for medium or smaller size parameters (up to 6.964 in this study). For densely packed discrete spheres with large size parameters (equals 13.928 in this study), the improvement of dependent scattering correction tends to deteriorate. The observations indicate that caution must be taken when using RTE in dealing with the radiative transfer in dense discrete random media even though the dependent scattering correction is applied. - Highlights: • The Muller matrix of randomly distributed, densely packed spheres are investigated. • The effects of multiple scattering and dependent scattering are analyzed. • The accuracy of radiative transfer theory for densely packed spheres is discussed. • Dependent scattering correction takes effect at medium size parameter or smaller. • Performance of dependent scattering correction

  1. 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.

  2. 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...

  3. 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.

  4. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Science.gov (United States)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-10-01

    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  5. 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.

  6. Relationship of electro-physical properties, thermal phase transition and microstructure of organic semiconducting crystals

    International Nuclear Information System (INIS)

    Gul, R.M.; Tahir, M.M.; Karomov, Kh.S.; Akhmedov, Kh.M.

    1999-01-01

    Organic crystals of Ph/sub 3/MeP(TCNQ) (Triphenyl-methyl-phosphonium tetracyano quino dimethane) and Et/sub 3/A (TCNQ) (Triethyl ammonium tetracyano quino dimethane) exhibit high tensity resistive effect which make them useful for applications like strain gauges, temperature sensitive resistors, etc. previous investigations of the effect of temperature on the electrical conductivity, thermoelectric power and acoustic emission in the range of 300-360 deg. K show the Ph/sub 3/MeP(TCNQ) crystals dispaly reversible phase transitions at 313 and 317 deg. K during heating the cooling, respectively. Contrary to this the crystals of Et/sub 3/A(TCNQ) and the press tablets of Ph/sub 3/MeP(TCNQ) do not display any such transition. Using Differential Scanning Calorimetry (DSC) in this study, we have confirmed that a reversible thermal transition also takes place at the similar temperature in Ph/sub 3/MeP(TCNQ); the transition is absent in Et/sub 3/A(TCNQ) and in press tablets of Ph/sub 3/MeP(TCNQ). Scanning electron Microscopy (SEM) shows number of structural voids in the single crystals of Ph/sub 3/Mep(TCNQ) which indicates that the phase transition is a volumetric phenomenon; the voids in the crystal may allow the volumetric changes. However, absence of surface defects as observed by SEM in Et/sub 3/A(TCNQ) and in pressed Ph/sub 3/MeP(TCNQ) may hinder the change in the volume of the material due to close packing of molecules. This result in the absence of the phase transitions as ascertained by DSC and other previous electro physical studies. (author)

  7. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  8. 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 ...

  9. Effect of radiation on preservation of convenient dish 'bowl-shape packed pig elbow'

    International Nuclear Information System (INIS)

    Wang Keqin; Chen Jingping; Li Wenge; Peng Weizheng

    2005-01-01

    The suitable parameters for radiation processing were investiqated by analyzing the microload of material and product, and radiation effect on the preservation of convenient dish 'bowl-shape packed pig elbow'. The results showed the store period of the product could be extended 2-6 month by 4.0-6.0 kGy radiation at different storage temperature. The sensory, physical and chemical index of the products met the requirement of relevant national standard of food hygiene. (authors)

  10. Comparative studies of monoclinic and orthorhombic WO3 films used for hydrogen sensor fabrication on SiC crystal

    International Nuclear Information System (INIS)

    Zuev, V V; Romanov, R I; Fominski, V Y; Grigoriev, S N; Volosova, M A; Demin, M V

    2016-01-01

    Amorphous WO x films were prepared on the SiC crystal by using two different methods, namely, reactive pulsed laser deposition (RPLD) and reactive deposition by ion sputtering (RDIS). After deposition, the WO x films were annealed in an air. The RISD film possessed a m-WO 3 structure and consisted of closely packed microcrystals. Localized swelling of the films and micro-hills growth did not destroy dense crystal packing. RPLD film had layered β-WO 3 structure with relatively smooth surface. Smoothness of the films were destroyed by localized swelling and the micro-openings formation was observed. Comparative study of m-WO 3 /SiC, Pt/m-WO 3 /SiC, and P-WO 3 /SiC samples shows that structural characteristics of the WO 3 films strongly influence on the voltage/current response as well as on the rate of current growth during H 2 detection at elevated temperatures. (paper)

  11. Adsorption of zinc ions on bone char using helical coil-packed bed columns and its mass transfer modeling

    DEFF Research Database (Denmark)

    Moreno-Pérez, J.; Bonilla-Petriciolet, A.; Rojas-Mayorga, C. K.

    2016-01-01

    This study reports the assessment of helical coil-packed bed columns for Zn2+ adsorption on bone char. Zn2+ adsorption breakthrough curves have been obtained using helical coil columns with different characteristics and a comparison has been conducted with respect to the results of straight fixed-bed...... columns. Results showed that the helical coil adsorption columns may offer an equivalent removal performance than that obtained for the traditional packed bed columns but using a compact structure. However, the coil diameter, number of turns, and feed flow appear to be crucial parameters for obtaining...... the best performance in this packed-bed geometry. A mass transfer model for a mobile fluid flowing through a porous media was used for fitting and predicting the Zn2+ breakthrough curves in helical coil bed columns. Results of adsorbent physicochemical characterization showed that Zn2+ adsorption on bone...

  12. 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.

  13. A lifelong learning hyper-heuristic method for bin packing.

    Science.gov (United States)

    Sim, Kevin; Hart, Emma; Paechter, Ben

    2015-01-01

    We describe a novel hyper-heuristic system that continuously learns over time to solve a combinatorial optimisation problem. The system continuously generates new heuristics and samples problems from its environment; and representative problems and heuristics are incorporated into a self-sustaining network of interacting entities inspired by methods in artificial immune systems. The network is plastic in both its structure and content, leading to the following properties: it exploits existing knowledge captured in the network to rapidly produce solutions; it can adapt to new problems with widely differing characteristics; and it is capable of generalising over the problem space. The system is tested on a large corpus of 3,968 new instances of 1D bin-packing problems as well as on 1,370 existing problems from the literature; it shows excellent performance in terms of the quality of solutions obtained across the datasets and in adapting to dynamically changing sets of problem instances compared to previous approaches. As the network self-adapts to sustain a minimal repertoire of both problems and heuristics that form a representative map of the problem space, the system is further shown to be computationally efficient and therefore scalable.

  14. Numerical modeling of pyrolysis of sawdust in a packed bed

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingmin; Chen, Xiaoping [Southeast Univ., Nanjing (China). School of Energy and Environment

    2013-07-01

    An unsteady, one-dimensional mathematical model has been developed to describe the pyrolysis of sawdust in a packed bed. The sawdust bed was pyrolyzed using the hot gas and an electric heater outside the bed as the source of energy. The developed model includes mass, momentum and energy conservations of gas and solid within the bed. The gas flow in the bed is modeled using Darcy's law for fluid through a porous medium. The heat transfer model includes heat conduction inside the bed and convection between the bed and the hot gas. The kinetic model consists of primary pyrolysis reaction. A finite volume fully implicit scheme is employed for solving the heat and mass transfer model equations. A Runge-Kutta fourth order method is used for the chemical kinetics model equations. The model predictions of mass loss history and temperature were validated with published experimental results, showing a good agreement. The effects of inlet temperature on the pyrolysis process have been analyzed with model simulation. A sensitivity analysis using the model suggests that the predictions could be improved by considering the second reaction which could generate volatile flowing in the void.

  15. Synthesis and characterisation of pack cemented aluminide coatings on metals

    International Nuclear Information System (INIS)

    Houngninou, C.; Chevalier, S.; Larpin, J.P.

    2004-01-01

    The exposition of metallic materials to high temperature environments leads to their corrosion because of oxidation or sulphidation. One way to protect such materials is to produce an Al 2 O 3 layer which needs to be continuous enough to limit diffusion of oxygen or metallic elements, and withstand this corrosion. Since a few years, it has been proved that aluminide compounds are one of the most effective materials to achieve this goal. Indeed, they possess sufficient Al and many beneficial mechanical properties when exposed to high temperature conditions to make possible the formation of a protective Al 2 O 3 scale. This study is aimed at the elaboration of iron, nickel and molybdenum aluminides by modification of the surface of the base materials by a pack cementation process. The as-cemented alloys were analysed by means of SEM coupled with EDX and by XRD. Cross-section examinations showed, in each case, a progressive diffusion of aluminium through the substrates. The diffusion thickness layer was more or less important depending on the base material and on the coating conditions

  16. PLANET-PLANET SCATTERING LEADS TO TIGHTLY PACKED PLANETARY SYSTEMS

    International Nuclear Information System (INIS)

    Raymond, Sean N.; Barnes, Rory; Veras, Dimitri; Armitage, Philip J.; Gorelick, Noel; Greenberg, Richard

    2009-01-01

    The known extrasolar multiple-planet systems share a surprising dynamical attribute: they cluster just beyond the Hill stability boundary. Here we show that the planet-planet scattering model, which naturally explains the observed exoplanet eccentricity distribution, can reproduce the observed distribution of dynamical configurations. We calculated how each of our scattered systems would appear over an appropriate range of viewing geometries; as Hill stability is weakly dependent on the masses, the mass-inclination degeneracy does not significantly affect our results. We consider a wide range of initial planetary mass distributions and find that some are poor fits to the observed systems. In fact, many of our scattering experiments overproduce systems very close to the stability boundary. The distribution of dynamical configurations of two-planet systems may provide better discrimination between scattering models than the distribution of eccentricity. Our results imply that, at least in their inner regions which are weakly affected by gas or planetesimal disks, planetary systems should be 'packed', with no large gaps between planets.

  17. 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.

  18. 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.

  19. 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

  20. 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 ...

  1. Comparative examination of the microstructure and high temperature oxidation performance of NiCrBSi flame sprayed and pack cementation coatings

    Science.gov (United States)

    Chaliampalias, D.; Vourlias, G.; Pavlidou, E.; Skolianos, S.; Chrissafis, K.; Stergioudis, G.

    2009-01-01

    Coatings formed from NiCrBSi powder were deposited by thermal spray and pack cementation processes on low carbon steel. The microstructure and morphology of the coatings were studied by scanning electron microscopy (SEM) and X-ray diffraction analysis (XRD). Flame sprayed coatings exhibited high porosity and were mechanically bonded to the substrate while pack cementation coatings were more compact and chemically bonded to the substrate. The microhardness and the high temperature oxidation resistance of the coated samples were evaluated by a Vickers microhardness tester and by thermogravimetric measurements (TG), respectively. Pack cementation coatings showed higher hardness and were more protective to high temperature environments than the flame sprayed coatings.

  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. 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.

  4. Crystal Engineering on Industrial Diaryl Pigments Using Lattice Energy Minimizations and X-ray Powder Diffraction

    International Nuclear Information System (INIS)

    Schmidt, M.; Dinnebier, R.; Kalkhof, H.

    2007-01-01

    Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was

  5. Electrostatically Driven Assembly of Charged Amphiphiles Forming Crystallized Membranes, Vesicles and Nanofiber Arrays

    Science.gov (United States)

    Leung, Cheuk Yui Curtis

    Charged amphiphilic molecules can self-assemble into a large variety of objects including membranes, vesicles and fibers. These micro to nano-scale structures have been drawing increasing attention due to their broad applications, especially in biotechnology and biomedicine. In this dissertation, three self-assembled systems were investigated: +3/-1 self-assembled catanionic membranes, +2/-1 self-assembled catanionic membranes and +1 self-assembled nanofibers. Transmission electron microscopy (TEM) combined with synchrotron small and wide angle x-ray scattering (SAXS and WAXS) were used to characterize the coassembled structures from the mesoscopic to nanometer scale. We designed a system of +3 and -1 ionic amphiphiles that coassemble into crystalline ionic bilayer vesicles with large variety of geometries that resemble polyhedral cellular crystalline shells and archaea wall envelopes. The degree of ionization of the amphiphiles and their intermolecular electrostatic interactions can be controlled by varying pH. The molecular packing of these membranes showed a hexagonal to rectangular-C to hexagonal phase transition with increasing pH, resulting in significant changes to the membrane morphology. A similar mixture of +2 and -1 ionic amphiphiles was also investigated. In addition to varying pH, which controls the headgroup attractions, we also adjust the tail length of the amphiphiles to control the van der Waals interactions between the tails. A 2D phase diagram was developed to show how pH and tail length can be used to control the intermolecular packing within the membranes. Another system of self-assembled nanofiber network formed by positively charged amphiphiles was also studied. These highly charged fibers repel each other and are packed in hexagonal lattice with lattice constant at least eight times of the fiber diameter. The d-spacing and the crystal structure can be controlled by varying the solution concentration and temperature.

  6. A biphasic oxidation of alcohols to aldehydes and ketones using a simplified packed-bed microreactor

    Directory of Open Access Journals (Sweden)

    Andrew Bogdan

    2009-04-01

    Full Text Available We demonstrate the preparation and characterization of a simplified packed-bed microreactor using an immobilized TEMPO catalyst shown to oxidize primary and secondary alcohols via the biphasic Anelli-Montanari protocol. Oxidations occurred in high yields with great stability over time. We observed that plugs of aqueous oxidant and organic alcohol entered the reactor as plugs but merged into an emulsion on the packed-bed. The emulsion coalesced into larger plugs upon exiting the reactor, leaving the organic product separate from the aqueous by-products. Furthermore, the microreactor oxidized a wide range of alcohols and remained active in excess of 100 trials without showing any loss of catalytic activity.

  7. The structural origin of the hard-sphere glass transition in granular packing.

    Science.gov (United States)

    Xia, Chengjie; Li, Jindong; Cao, Yixin; Kou, Binquan; Xiao, Xianghui; Fezzaa, Kamel; Xiao, Tiqiao; Wang, Yujie

    2015-09-28

    Glass transition is accompanied by a rapid growth of the structural relaxation time and a concomitant decrease of configurational entropy. It remains unclear whether the transition has a thermodynamic origin, and whether the dynamic arrest is associated with the growth of a certain static order. Using granular packing as a model hard-sphere glass, we show the glass transition as a thermodynamic phase transition with a 'hidden' polytetrahedral order. This polytetrahedral order is spatially correlated with the slow dynamics. It is geometrically frustrated and has a peculiar fractal dimension. Additionally, as the packing fraction increases, its growth follows an entropy-driven nucleation process, similar to that of the random first-order transition theory. Our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses.

  8. An iterative bidirectional heuristic placement algorithm for solving the two-dimensional knapsack packing problem

    Science.gov (United States)

    Shiangjen, Kanokwatt; Chaijaruwanich, Jeerayut; Srisujjalertwaja, Wijak; Unachak, Prakarn; Somhom, Samerkae

    2018-02-01

    This article presents an efficient heuristic placement algorithm, namely, a bidirectional heuristic placement, for solving the two-dimensional rectangular knapsack packing problem. The heuristic demonstrates ways to maximize space utilization by fitting the appropriate rectangle from both sides of the wall of the current residual space layer by layer. The iterative local search along with a shift strategy is developed and applied to the heuristic to balance the exploitation and exploration tasks in the solution space without the tuning of any parameters. The experimental results on many scales of packing problems show that this approach can produce high-quality solutions for most of the benchmark datasets, especially for large-scale problems, within a reasonable duration of computational time.

  9. The behavior of xenon dynamic adsorption on granular activated carbon packed bed adsorber

    International Nuclear Information System (INIS)

    Chongyang Zhou; Shujuan Feng; Guoqing Zhou; Yuren Jin; Junfu Liang; Jingming Xu

    2011-01-01

    In order to retard radioxenon release into the atmosphere from nuclear power station or to sensitively monitor its concentration to ensure environmental and human safety, it is necessary to know the behavior of xenon dynamic adsorption on granular activated carbon pack bed adsorber. The quantities, including the dynamic adsorption coefficient (k d ), the amount of xenon adsorbed (q), the length of mass transfer zone (L MTZ ) and the length of the unused bed (LUB), used to describe the adsorption behavior, were sorted out and calculated. The factors, including xenon concentrations, pressures and temperatures, to affect these quantities were investigated. The results show that: (1) The values of k d and q decrease with increasing temperatures, but increase with increasing pressures, (2) The values of L MTZ and LUB increase with increasing temperatures or pressures, but are independent of concentrations. Knowledge of these quantities is very helpful for packed bed adsorber operation. (author)

  10. 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.

  11. 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...

  12. 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...

  13. Modeling and Simulation of the Hydrogenation of α-Methylstyrene on Catalytically Active Metal Foams as Tubular Reactor Packing

    Directory of Open Access Journals (Sweden)

    Farzad Lali

    2016-01-01

    Full Text Available This work presents a one-dimensional reactor model for a tubular reactor packed with a catalytically active foam packing with a pore density of 30 PPI in cocurrent upward flow in the example of hydrogenation reaction of α-methylstyrene to cumene. This model includes material, enthalpy, and momentum balances as well as continuity equations. The model was solved within the parameter space applied for experimental studies under assumption of a bubbly flow. The method of orthogonal collocation on finite elements was applied. For isothermal and polytropic processes and steady state conditions, axial profiles for concentration, temperature, fluid velocities, pressure, and liquid holdup were computed and the conversions for various gas and liquid flow rates were validated with experimental results. The obtained results were also compared in terms of space time yield and catalytic activity with experimental results and stirred tank and also with random packed bed reactor. The comparison shows that the application of solid foams as reactor packing is advantageous compared to the monolithic honeycombs and random packed beds.

  14. A study of the genetic relationships within and among wolf packs using DNA fingerprinting and mitochondrial DNA

    Science.gov (United States)

    Lehman, Niles; Clarkson, Peter; Mech, L. David; Meier, Thomas J.; Wayne, Robert K.

    1992-01-01

    DNA fingerprinting and mitochondrial DNA analyses have not been used in combination to study relatedness in natural populations. We present an approach that involves defining the mean fingerprint similarities among individuals thought to be unrelated because they have different mtDNA genotypes. Two classes of related individuals are identified by their distance in standard errors above this mean value. The number of standard errors is determined by analysis of the association between fingerprint similarity and relatedness in a population with a known genealogy. We apply this approach to gray wolf packs from Minnesota, Alaska, and the Northwest Territories. Our results show that: (1) wolf packs consist primarily of individuals that are closely related genetically, but some packs contain unrelated, non-reproducing individuals; (2) dispersal among packs within the same area is common; and (3) short-range dispersal appears more common for female than male wolves. The first two of these genetically-based observations are consistent with behavioral data on pack structure and dispersal in wolves, while the apparent sex bias in dispersal was not expected.

  15. Improvement of airtight and operation efficiency of joint packing material; Teikei mokuzizai no sirusei oyobi sagyosei no kaizen

    Energy Technology Data Exchange (ETDEWEB)

    Ouchi, Tatsuya.; Harada, Tsutomu.; Ando, Hideki.; Yamato, Tsugio

    1998-12-01

    Formed joint packing materials presently used in each place of continuous casting factories are manufactured from a main material of refractory powder and various subsidiary materials, added with binder, mixed and formed to products. This joint material has disadvantages of 1) Setting to flange part of long nozzle is difficult owing to inferior ordinary temperature shape retaining property (workability), and 2) Hot workable time (workability) is short, when used under hot condition. To solve these problems, sealing property and workability (ordinary temperature shape retaining property and hot workable time) of joint packing material were improved using new binder and Al system materials, and hard type formed jpint packing material of excellent hot sealing property and workability compared to conventional formed packing materials was obtained. Examining various resins and refractory powders, special emulsion type resin and a material which consisted of a main refractory material of alumina and subsidiary materials of clay, flint, Al system metals were finally selected. The measurement results on ordinary temperature shape retaining property, hot workable time and hot sealing property of this joint packing material showed excellent results. (NEDO)

  16. Estimation of State of Charge of a Lithium-Ion Battery Pack for Electric Vehicles Using an Adaptive Luenberger Observer

    Directory of Open Access Journals (Sweden)

    Yuan Zou

    2010-09-01

    Full Text Available In order to safely and efficiently use the power as well as to extend the lifetime of the traction battery pack, accurate estimation of State of Charge (SoC is very important and necessary. This paper presents an adaptive observer-based technique for estimating SoC of a lithium-ion battery pack used in an electric vehicle (EV. The RC equivalent circuit model in ADVISOR is applied to simulate the lithium-ion battery pack. The parameters of the battery model as a function of SoC, are identified and optimized using the numerically nonlinear least squares algorithm, based on an experimental data set. By means of the optimized model, an adaptive Luenberger observer is built to estimate online the SoC of the lithium-ion battery pack. The observer gain is adaptively adjusted using a stochastic gradient approach so as to reduce the error between the estimated battery output voltage and the filtered battery terminal voltage measurement. Validation results show that the proposed technique can accurately estimate SoC of the lithium-ion battery pack without a heavy computational load.

  17. Random photonic crystal optical memory

    International Nuclear Information System (INIS)

    Wirth Lima Jr, A; Sombra, A S B

    2012-01-01

    Currently, optical cross-connects working on wavelength division multiplexing systems are based on optical fiber delay lines buffering. We designed and analyzed a novel photonic crystal optical memory, which replaces the fiber delay lines of the current optical cross-connect buffer. Optical buffering systems based on random photonic crystal optical memory have similar behavior to the electronic buffering systems based on electronic RAM memory. In this paper, we show that OXCs working with optical buffering based on random photonic crystal optical memories provides better performance than the current optical cross-connects. (paper)

  18. 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

  19. Investigation of the martensitic phase transformations in CoFe single crystals using high-resolution transmission electron microscopy

    International Nuclear Information System (INIS)

    Waitz, T.

    1999-06-01

    In CoFe crystals containing 0.85, 1.5, 5.75 and 6.0at.% Fe the thermally induced martensitic phase transformations between the close packed lattices face centered cubic (fcc), double hexagonal close packed (dhcp) and hexagonal close packed (hcp) were studied. Transmission electron microscopy methods were applied including in-situ experiments; both high-resolution transmission electron microscopy (HRTEM) images and lattice fringe images were used to analyze the transformations at an atomic scale. Based on the results of both the transformations in the bulk and the in-situ transformations it is concluded that the phase transitions occur by the formation of lamellae on the close packed habit planes. The lamellae have a minimum thickness of 10 to 15 close packed planes; therefore transformation models that are based on random overlap of stacking faults can be excluded. The glissile transformation fronts of the lamellae contain transformation dislocations (partials) that are correlated on an atomic scale. In the HRTEM images partials that are only about 0.2 nm apart were resolved and analyzed in detail by circuits that are similar to Burgers circuits. Two attracting partials on adjacent close packed planes are the structural units of the transformation fronts; they are dipoles and paired partials (with a total Burgers vector of a single partial) in the case of the transformations hcp dhcp and fcc dhcp, respectively. Different arrangements of the partials at the transformation fronts lead to two different modes A and B of the phase transition. These two modes seem to be competitive processes that can be favored by different parameters of the material (as chemical composition and microstructure). Partials of mode A transformations have the same Burgers vectors; therefore the partials repel each other causing long range internal stresses and large transformation shear strains that can lead to a surface relief. Whereas, partials of mode B transformations have different

  20. Polymorphic transitions in single crystals: A new molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1981-12-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock.

  1. Polymorphic transitions in single crystals: A new molecular dynamics method

    International Nuclear Information System (INIS)

    Parrinello, M.; Rahman, A.

    1981-01-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock

  2. 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...

  3. 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.

  4. Phase diagram of power law and Lennard-Jones systems: Crystal phases

    International Nuclear Information System (INIS)

    Travesset, Alex

    2014-01-01

    An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed

  5. Removal of the brilliant blue through packed columns using corncobs

    Directory of Open Access Journals (Sweden)

    Angelina Hormaza Anaguano

    2014-05-01

    Full Text Available This research shows the adsorbent potential of corncobs in the removal of the anionic bright blue colorant on packed beds. It was evaluated the effect of pH parameters from this medium, particle size, saline presence and column height. The samples were analyzed by defined intervals of time. The colorant quantity removed was quantified by means of ultraviolet-visible spectroscopy. Models of Adams-Bohart, Thomas and Yoon-Nelson were used to predict the breakthrough curves using nonlinear regression and so set the characteristic parameters of the process. BDST model was used to express the influence of bed height into the breakthrough curve. It was found that acid pH (pH = 2.0 smaller particle size (0.3 mm < x < 0.5 mm and larger bed height (Z = 20 cm favor the transfer of colorant to the adsorbent material, reaching greater retention of bright blue on the corncob. The presence of NaCl in the solution reduces the efficiency of adsorption. In terms of models, the Thomas model presented the best setting for the description of the breakthrough curve to the experimental conditions (R2 = 0.93 -0.94, while Adams-Bohart model offered a good fit (R2 = 0.96-0.99 for the dynamic behavior limited  to the initial part of the process. Yoon-Nelson model presented a considerable drift between the experimental data and the predicted data. Finally, the BDST model showed a good correlation, R2 = 0.92 -0.99, establishing that the height is a determining factor for scaling of process

  6. 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...

  7. 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...

  8. 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.

  9. 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....

  10. 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)

  11. 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

  12. 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)

  13. 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.

  14. 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...

  15. 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.

  16. 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

  17. 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%.

  18. 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

  19. 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.

  20. Crystal growth and properties of novel organic nonlinear optical crystals of 4-Nitrophenol urea

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, M. Krishna, E-mail: krishnamohan.m@ktr.srmuniv.ac.in; Ponnusamy, S.; Muthamizhchelvan, C.

    2017-07-01

    Single crystals of 4-Nitrophenol urea have been grown from water using slow evaporation technique at constant temperature, with the vision to improve the properties of the crystals. The unit cell parameters of the grown crystals were determined by single crystal and powder X-Ray diffraction. FTIR studies reveals the presence of different vibrational bands. The Optical studies confirmed that the crystal is transparent up to 360 nm .TGA and DSC studies were carried out to understand the thermal behavior of crystals. The SHG studies show the suitability of the crystals for NLO applications. The etching studies were carried out to study the behavior of the crystals under different conditions.These studies reveal that the crystals of 4-Nitrophenol urea are suitable for device applications. - Highlights: • 4-Nitrophenol urea crystals of dimensions 14 mm × 1 mm were grown. • UV–Visible studies indicate the crystal is transparent in the region of 370–800 nm. • Thermal studies show the crystal starts decomposing at 170 °C. • SHG studies indicate that the crystals have NLO efficiency 3.5 times that of KDP.

  1. 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.

  2. 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]....

  3. 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....

  4. 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

  5. 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

  6. 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

  7. Liquid crystal dimers

    CERN Document Server

    Kumar Pal, Santanu

    2017-01-01

    This book covers in-depth discussion of design principles, synthesis and thermal behavior of all types of liquid crystal (LC) dimers. The text presents recent advances in the field of LC dimers consisting of different mesogenic units such as calamitic, discotic and bent-core molecules. It starts with a chapter on the introduction of liquid crystal dimers, including their odd-even behavior, basic classification of dimers and common mesophases in dimers. The text shows how the molecular architectures are being used to develop new materials to study a range of interesting phenomena such as the biaxial nematic phase containing rod-like and disc-like mesogenic units. Finally, the text presents perspectives related to technological relevance of these dimers such as dopants in LC display mixtures exhibiting faster relaxation time, strong flexoelectric coupling and others to effect control over the properties of these materials.

  8. Pre-treatment of pyridine wastewater by new cathodic-anodic-electrolysis packing.

    Science.gov (United States)

    Jin, Yang; Yue, Qinyan; Yang, Kunlun; Wu, Suqing; Li, Shengjie; Gao, Baoyu; Gao, Yuan

    2018-01-01

    A novel cathodic-anodic-electrolysis packing (CAEP) used in the treatment of pyridine wastewater was researched, which mainly consisted of 4,4'-diamino-2,2'-disulfonic acid (DSD acid) industrial iron sludge. The physical properties and morphology of the packing were studied. The CAEP was used in a column reactor during the pretreatment of pyridine wastewater. The influence of pH, hydraulic retention time (HRT), the air-liquid ratio (A/L) and the initial concentration of pyridine were investigated by measuring the removal of total organic carbon (TOC) and pyridine. The characterization results showed that the bulk density, grain density, water absorption percentage and specific surface area were 921kg/m 3 , 1086kg/m 3 , 25% and 29.89m 2 /g, respectively; the removal of TOC and pyridine could reach 50% and 58% at the optimal experimental conditions (pH=3, HRT=8hr, A/L=2). Notably, the surface of the packing was renewed constantly during the running of the filter, and the handling capacity was stable after running for three months. Copyright © 2017. Published by Elsevier B.V.

  9. Resistance of the packing to attack of insects pest in irradiated ration

    International Nuclear Information System (INIS)

    Arthur, Paula B.; Arthur, Valter; Silva, Lucia C.A.S.; Franco, Suely S.H.

    2013-01-01

    The pests as beetles, acarids, moths and mushrooms among other, usually infest products stored as: grains, crumbs, flours, coffee, tobacco, dried fruits, animal rations, spices, dehydrated plants, causing the visual depreciation and promoting the deterioration of the products. The objective of the research was use the gamma radiation of Cobalt-60 in the disinfestation of some types of rations used for feeding of animals of small size. In the experiment packing measuring 10 cm x 20 cm with capacity of 70 grams of substrate (ration) with 4 types of existent marks in the trade: (1), (2), (3) and (4) of free samples were used. Each treatment had 10 repetitions, that were irradiated with doses of: 0 (control) 0,5; 1,0 and 2,0 kGy, to do the disinfestation of the ration samples. After the irradiation all the packing and the control were conditioned in plastic boxes of 80 cm x 50 cm with cover, where the insects: Lasioderma serricorne, Plodia interpuctella, Sitophilus zeamais and S. oryzae were liberated, in a total of 400 for each box. The boxes were maintained at room acclimatized with 27 ± 2 deg C and relative humidity of 70 ± 5%. The counting of the number of insects and holes in the packing were made after 60 days. The results showed that only the package of the ration type number 4, was susceptive to the attack of the species of insects. (author)

  10. Low Density of Top Predators (Seabirds and Marine Mammals in the High Arctic Pack Ice

    Directory of Open Access Journals (Sweden)

    Claude R. Joiris

    2016-01-01

    Full Text Available The at-sea distribution of top predators, seabirds and marine mammals, was determined in the high Arctic pack ice on board the icebreaker RV Polarstern in July to September 2014. In total, 1,620 transect counts were realised, lasting 30 min each. The five most numerous seabird species represented 74% of the total of 15,150 individuals registered: kittiwake Rissa tridactyla, fulmar Fulmarus glacialis, puffin Fratercula arctica, Ross’s gull Rhodostethia rosea, and little auk Alle alle. Eight cetacean species were tallied for a total of 330 individuals, mainly white-beaked dolphin Lagenorhynchus albirostris and fin whale Balaenoptera physalus. Five pinniped species were represented by a total of 55 individuals and the polar bear Ursus maritimus was represented by 12 individuals. Four main geographical zones were identified: from Tromsø to the outer marginal ice zone (OMIZ, the Arctic pack ice (close pack ice, CPI, the end of Lomonosov Ridge off Siberia, and the route off Siberia and northern Norway. Important differences were detected between zones, both in species composition and in individual abundance. Low numbers of species and high proportion of individuals for some of them can be considered to reflect very low biodiversity. Numbers encountered in zones 2 to 4 were very low in comparison with other European Arctic seas. The observed differences showed strong patterns.

  11. The effect of Al and Cr additions on pack cementation zinc coatings

    International Nuclear Information System (INIS)

    Chaliampalias, D.; Papazoglou, M.; Tsipas, S.; Pavlidou, E.; Skolianos, S.; Stergioudis, G.; Vourlias, G.

    2010-01-01

    Zinc is widely used as a protective coating material due to its corrosion resistant properties. The structure and oxidation resistance of Al and Cr mixed zinc coatings, deposited by pack cementation process, is thoroughly examined in this work. The morphology and chemical composition of the as-deposited and oxidized samples was accomplished by electron microscopy while the phase identification was performed by XRD diffraction analysis. The experimental results showed that the addition of aluminum or chromium in the pack mixture forms only Al and Cr rich phases on the surface of the specimens without affecting significantly the phase composition of the rest zinc coatings. In the case of Zn-Al coatings, the overlying layer contains high concentrations of Al together with lower amounts of zinc and iron and in Zn-Cr coatings this layer contains Cr, Fe and Zn atoms and has much smaller thickness. The presence of these additional layers promotes significantly the oxidation resistance of the zinc pack coatings and they preserve most of their initial thickness and chemical content when exposed to an aggressive environment while their oxidation mass gain was measured at low levels during the oxidation tests.

  12. Sorption and desorption reactions of radionuclides with a crushed basalt-bentonite packing material

    International Nuclear Information System (INIS)

    Barney, G.S.; Lane, D.L.; Allen, C.C.; Jones, T.E.

    1985-04-01

    Current design of waste packages for disposal of high-level radioactive wastes in underground basalt formations includes a layer of packing material that surrounds the waste container. One of the functions of this material is to limit the release of radionuclides from a breached container into groundwater by providing a low hydraulic conductivity zone and by sorbing dissolved radionuclides. The objective of this study was to assess the radionuclide sorption capability of a proposed packing material composed of 25% sodium bentonite and 75% crushed basalt (by weight). Sorption and desorption reactions of several important waste radioelements (neptunium, uranium, plutonium, technetium, selenium, and radium) were investigated in the absence of air at 90 0 C. Uranium and neptunium were sorbed by slow reactions that follow first-order kinetics. The reaction rates are probably controlled by reduction of weakly sorbed uranium(VI) and neptunium(V) by ferrous iron in the crushed basalt component. Technetium(VII) was not reduced or sorbed under these conditions. Freundlich sorption and desorption isotherms for a given radionuclide were non-singular and show a strong tendency for sorption hysteresis. Applying the isotherm data to a one-dimensional transport model indicated that hysteretic sorption on the packing material provides an important safety factor in controlling releases of some radionuclides

  13. Boiling phenomenon and heat transfer in bead-packed porous structure

    International Nuclear Information System (INIS)

    Zhang Xiaojie; ZHu Yanlei; Bai Bofeng; Yan Xiao; Xiao Zejun

    2009-01-01

    A visual study on pool boiling behavior and phase distribution was conducted on the porous structures made of staggered glass beads at atmospheric pressure. The bead-packed structure was heated on the bottom. The investigations were carried out respectively at different glass bead diameters which were 4 mm, 6 mm and 8 mm. The results show that during subcooled boiling, small isolated bubbles are formed on the heated surface and combine into main-bubbles, the dispersion frequency of the main-bubbles is low and the small bubbles scatter in the bead-packed porous structures. At the initial stage of saturated boiling, the bubble growth rate, the volume of main-bubbles and the range of continuous vapor phase increase. The dispersion frequency of main-bubbles increases with the increasing of heat flux. During film boiling, the heated surface is absolutely covered with vapor film and the porous structure is full of liquid. The larger the diameter of beads is, the higher heat flux is needed for the same phenomenon, and the higher maximum value of heat transfer coefficient will be. During the whole saturated boiling, and the heat transfer enhanced firstly and then weakened. Being opposite to that of the diameters of 4 mm and 8 mm, the heat transfer coefficient in the 6 mm-bead-packed porous structure decreases with the increasing of the heat flux. (authors)

  14. Diagnosing hyperuniformity in two-dimensional, disordered, jammed packings of soft spheres

    Science.gov (United States)

    Dreyfus, Remi; Xu, Ye; Still, Tim; Hough, L. A.; Yodh, A. G.; Torquato, Salvatore

    2015-01-01

    Hyperuniformity characterizes a state of matter for which (scaled) density fluctuations diminish towards zero at the largest length scales. However, the task of determining whether or not an image of an experimental system is hyperuniform is experimentally challenging due to finite-resolution, noise, and sample-size effects that influence characterization measurements. Here we explore these issues, employing video optical microscopy to study hyperuniformity phenomena in disordered two-dimensional jammed packings of soft spheres. Using a combination of experiment and simulation we characterize the possible adverse effects of particle polydispersity, image noise, and finite-size effects on the assignment of hyperuniformity, and we develop a methodology that permits improved diagnosis of hyperuniformity from real-space measurements. The key to this improvement is a simple packing reconstruction algorithm that incorporates particle polydispersity to minimize the free volume. In addition, simulations show that hyperuniformity in finite-sized samples can be ascertained more accurately in direct space than in reciprocal space. Finally, our experimental colloidal packings of soft polymeric spheres are shown to be effectively hyperuniform.

  15. Resistance of the packing to attack of insects pest in irradiated ration

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, Paula B.; Arthur, Valter; Silva, Lucia C.A.S.; Franco, Suely S.H., E-mail: paula.arthur@hotmail.com [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil). Lab. de Radiobiologia e Ambiente; Franco, Jose G.; Villavicencio, Anna L.H.C., E-mail: gilmita@uol.com.br, E-mail: villavic@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2013-07-01

    The pests as beetles, acarids, moths and mushrooms among other, usually infest products stored as: grains, crumbs, flours, coffee, tobacco, dried fruits, animal rations, spices, dehydrated plants, causing the visual depreciation and promoting the deterioration of the products. The objective of the research was use the gamma radiation of Cobalt-60 in the disinfestation of some types of rations used for feeding of animals of small size. In the experiment packing measuring 10 cm x 20 cm with capacity of 70 grams of substrate (ration) with 4 types of existent marks in the trade: (1), (2), (3) and (4) of free samples were used. Each treatment had 10 repetitions, that were irradiated with doses of: 0 (control) 0,5; 1,0 and 2,0 kGy, to do the disinfestation of the ration samples. After the irradiation all the packing and the control were conditioned in plastic boxes of 80 cm x 50 cm with cover, where the insects: Lasioderma serricorne, Plodia interpuctella, Sitophilus zeamais and S. oryzae were liberated, in a total of 400 for each box. The boxes were maintained at room acclimatized with 27 ± 2 deg C and relative humidity of 70 ± 5%. The counting of the number of insects and holes in the packing were made after 60 days. The results showed that only the package of the ration type number 4, was susceptive to the attack of the species of insects. (author)

  16. Treatment of Ni-EDTA containing wastewater by electrocoagulation using iron scraps packed-bed anode.

    Science.gov (United States)

    Ye, Xiaokun; Zhang, Junya; Zhang, Yan; Lv, Yuancai; Dou, Rongni; Wen, Shulong; Li, Lianghao; Chen, Yuancai; Hu, YongYou

    2016-12-01

    The unique electrocoagulator proposed in this study is highly efficient at removing Ni-EDTA, providing a potential remediation option for wastewater containing lower concentrations of Ni-EDTA (Ni ≤ 10 mg L -1 ). In the electrocoagulation (EC) system, cylindrical graphite was used as a cathode, and a packed-bed formed from iron scraps was used as an anode. The results showed that the removal of Ni-EDTA increased with the application of current and favoured acidic conditions. We also found that the iron scrap packed-bed anode was superior in its treatment ability and specific energy consumption (SECS) compared with the iron rod anode. In addition, the packed density and temperature had a large influence on the energy consumption (ECS). Over 94.3% of Ni and 95.8% of TOC were removed when conducting the EC treatment at an applied current of 0.5 A, initial pH of 3, air-purged rate 0.2 L min -1 , anode packed density of 400 kg m -3 temperature of 313 K and time of 30 min. SEM analysis of the iron scraps indicated that the specific area of the anode increased after the EC. The XRD analysis of flocs produced during EC revealed that hematite (α-Fe 2 O 3 ) and magnetite (Fe 3 O 4 ) were the main by-products under aerobic and anoxic conditions, respectively. A kinetic study demonstrated that the removal of Ni-EDTA followed a first-order model with the current parameters. Moreover, the removal efficiency of real wastewater was essentially consistent with that of synthetic wastewater. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. 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.

  18. pH-Driven Ordering Transitions in Liquid Crystal Induced by Conformational Changes of Cardiolipin.

    Science.gov (United States)

    Sidiq, Sumyra; Verma, Indu; Pal, Santanu Kumar

    2015-04-28

    We report an investigation of interfacial phenomena occurring at aqueous-liquid crystal (LC) interfaces that triggers an orientational ordering transition of the LC in the presence of cardiolipin (CL) by varying pH, salt concentration and valence. In particular, the effects of three different conformational isomeric forms of the CL are observed to cause the response of the LC ordering to vary significantly from one to another at those interfaces. An ordering transition of the LC was observed when the CL is mostly in undissociated (at pH 2) and/or in bicyclic (at pH 4) conformation in which LC shows changes in the optical appearance from bright to dark. By contrast, no change in the optical appearance of the LC was observed when the pH of the system increases to 8 or higher in which the CL mostly exists in the open conformation. Fluorescence microscopy measurements further suggest that pH-dependent conformational forms of the CL have different ability to self-assemble (thus different packing efficiency) at aqueous-LC interfaces leading to dissimilar orientational behavior of the LC. Specifically, we found that change in headgroup-headgroup repulsion of the central phosphatidyl groups of the CL plays a key role in tuning the lipid packing efficiency and thus responses to interfacial phenomena. Orientational ordering transition of the LC was also observed as a function of increasing the ionic strength (buffer capacity) and strongly influenced in the presence of mono and divalent cations. Langmuir-Blodgett (LB) and polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) measurements provide further insight in modulation of the lipid packing efficiency and alkyl chain conformation of the CL at different pH and ionic conditions. Overall, the results presented in this paper establish that LCs offer a promising approach to differentiate different conformations (label free detection) of the CL through ordering transition of the LC at aqueous

  19. Crystallization of sheared hard spheres at 64.5% volume fraction

    Science.gov (United States)

    Swinney, H. L.; Rietz, F.; Schroeter, M.; Radin, C.

    2017-11-01

    A classic experiment by G.D. Scott Nature 188, 908, 1960) showed that pouring balls into a rigid container filled the volume to an upper limit of 64% of the container volume, which is well below the 74% volume fraction filled by spheres in a hexagonal close packed (HCP) or face center cubic (FCC) lattice. Subsequent experiments have confirmed a ``random closed packed'' (RCP) fraction of about 64%. However, the physics of the RCP limit has remained a mystery. Our experiment on a cubical box filled with 49400 weakly sheared glass spheres reveals a first order phase transition from a disordered to an ordered state at a volume fraction of 64.5%. The ordered state consists of crystallites of mixed FCC and HCP symmetry that coexist with the amorphous bulk. The transition is initiated by homogeneous nucleation: in the shearing process small crystallites with about ten or fewer spheres dissolve, while larger crystallites grow. A movie illustrates the crystallization process. German Academic Exchange Service (DAAD), German Research Foundation (DFG), NSF DMS, and R.A. Welch Foundation.

  20. Toxinotyping of Clostridium perfringens strains isolated from packed chicken portions

    Directory of Open Access Journals (Sweden)

    Maryam Poursoltani

    2014-06-01

    Full Text Available Background and Aim: Clostridium perfringens are classified into five toxin types A to E, on the basis of production of Alpha, Beta, Epsilon and Iota toxins. Some strains are able to produce enterotoxin, can cause food poisoning in human. The bacteria are able to produce NetB and TpeL toxins which are virulence factors in necrotic enteritis in poultry. The aim of this study was to determine the toxin profile of C. perfringens strains isolated from packed chicken portions using Single and Multiplex PCR assays. Materials and Methods: In a crossectional study, 180 sample of chicken portions including wing (n=50, liver (n=50, neck (n=50 and gizzard (n=30 were collected randomly and examined for C. perfringens contamination. For this purpose all of samples were cultured on the 7% sheep defibrinated blood agar, TSN and TSC culture media. All of the isolates were investigated for the presence of alpha, beta, epsilon, iota toxin and virulence (tpeL and netB genes. Results: In the present study, 6 isolates out of 180 samples, were confirmed as C. perfringens by culture and molecular methods. All of the isolates (100% were confirmed as cpa and cpb positive strains and belong to type C of C. perfringens. The netB gene was detected in 5 isolates (83.33% and tpeL gene in three isolates (50%. Conclusions: Our findings show the majority of C. perfringens in broilers are belong to type C which produce necrotic enteritis in poultry and may be transmitted to human through poultry products.

  1. Packing a cake into a box

    KAUST Repository

    Skopenkov, Mikhail

    2011-01-01

    Given a triangular cake and a box in the shape of its mirror image, how can the cake be cut into a minimal number of pieces so that it can be put into the box? The cake has icing, so we are not allowed to put it into the box upside down. V. G. Boltyansky asked this question in 1977 and showed that three pieces always suffice. In this paper we provide examples of cakes that cannot be cut into two pieces to be put into the box. This shows that three is the answer to Boltyansky's question. We also give examples of cakes which can be cut into two pieces. © THE MATHEMATICAL ASSOCIATION OF AMERICA.

  2. Packing a cake into a box

    KAUST Repository

    Skopenkov, Mikhail

    2011-05-01

    Given a triangular cake and a box in the shape of its mirror image, how can the cake be cut into a minimal number of pieces so that it can be put into the box? The cake has icing, so we are not allowed to put it into the box upside down. V. G. Boltyansky asked this question in 1977 and showed that three pieces always suffice. In this paper we provide examples of cakes that cannot be cut into two pieces to be put into the box. This shows that three is the answer to Boltyansky\\'s question. We also give examples of cakes which can be cut into two pieces. © THE MATHEMATICAL ASSOCIATION OF AMERICA.

  3. 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.

  4. 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

  5. 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 ...

  6. 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.

  7. 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

  8. 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

  9. 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...

  10. 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...

  11. 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

  12. 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 ...

  13. 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)

  14. 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

  15. 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.

  16. 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.

  17. 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

  18. 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 ...

  19. 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...

  20. 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.